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ABL1_HUMAN_228_509_ATPsite

Tyrosine-protein kinase ABL1 [Protein kinase superfamily. Tyr protein kinase family. ABL subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ABL1_HUMAN):D: Protein kinase (248:256, 258, 269:271, 273, 278, 279, 282, 283, 285:287, 289, 290, 293, 298, 299, 301, 312:322, 325, 354, 359:363, 367:370, 379:388, 392, 393, 396, 398:400, 402)248:256, 258, 269:271, 273, 278, 279, 282, 283, 285:287, 289, 290, 293, 298, 299, 301, 312:322, 325, 354, 359:363, 367:370, 379:388, 392, 393, 396, 398:400, 402

Full PDB list

1fpu, 1iep, 1m52, 1opj, 1opk, 1opl, 2e2b, 2f4j, 2fo0, 2g1t, 2g2f, 2g2h, 2g2i, 2gqg, 2hiw, 2hyy, 2hz0, 2hz4, 2hzi, 2hzn, 2qoh, 2v7a, 2z60, 3cs9, 3dk3, 3dk6, 3dk7, 3ik3, 3k5v, 3kf4, 3kfa, 3ms9, 3mss, 3oxz, 3oy3, 3pyy, 3qri, 3qrj, 3qrk, 3ue4, 4twp, 4wa9, 4xey, 4yc8, 4zog, 5hu9, 5mo4 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
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[1]1fpu.a prc29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2e2b.a 40642 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2hiw.a 7mp33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2hzn.a kin27 . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3cs9.a nil39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3ik3.b 0li39 . . . . . . . . . . . . . . . . . . . . . I . . . . . . . . . . . . . . . . . . . . . .
[1]3kfa.a b9141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3mss.b sti37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3oxz.a 0li39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -
[1]3oy3.a xy341 . . . . . . . . . . . . . . . . . . . . . I . . . . . . . . . . . . . . . . . . . . . .
[1]3qri.a 91941 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3qrj.a 91941 . . . . . . . . . . . . . . . . . . . . . I . . . . . . . . . . . . . . . . . . . . . .
[1]3qrk.a 9dp34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5hu9.a 66k43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5mo4.a nil39 . . . . . . . . . . . . . . . . . . . . . I . . . . . . . . . . . N . . . . . . . - - -
[2]2f4j.a vx633 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]2g2i.b adp27 . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]2gqg.a 1n133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]2hz4.b 4st35 . - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]2hz4.c none . - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]2qoh.a p3y28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]2v7a.a 627,mg36 . . . . . . . . . . . . . . . . . . . . . I . . . . . . . . . . . . . . . . . . . . . .
[2]2z60.a p3y28 . . . . . . . . . . . . . . . . . . . . . I . . . . . . . . . . . . . . . . . . . . . .
[2]3kf4.a b9032 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[2]4twp.a axi28 . . . . . . . . . . . . . . . . . . . . . I . . . . . . . . . . . . . . . . . . . . . .
[3]1m52.a p1729 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[3]1opk.a p1629 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . N . . . . . . . . . .
[3]2g2h.a p1629 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[3]2hzi.a jin29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[3]3dk3.a sx728 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[3]3dk6.a sx728 . - - . . F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[3]3dk7.b sx728 . . . . . . . . . . . . . . . . . . . . . I . . . . . . . . . . . . . . . . . . . . . .
[3]4wa9.b axi28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[3]4zog.a vx633 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[4]2g2f.a 11234 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[4]2g2f.b ags31 . - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[4]3dk6.b sx722 - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[4]3ue4.a db836 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[4]4xey.b 1n133 . - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[4]4yc8.a 4b735 . - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[5]2hz0.a gin31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[6]2g1t.a 112,mg35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

[download in TSV format]
   
PDB.ch
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[1]1fpu.a . . * . . * . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . * . . * . . . . .
[1]2e2b.a . . . . * * . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . * - . * . . . . .
[1]2hiw.a . . * . . * . . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . * . . * . . . . .
[1]2hzn.a . . . - - - . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . * . * . . * * . * . . . . .
[1]3cs9.a . . . . * * . . . . . . . . - . . . . * . . . . . . . . . . . . . . . . . . . . * . . * . . . . . . . . * . * . . . * . * . . . . .
[1]3ik3.b . . . . * * * . . . . . * . . . . . . * . . . . . . . . . . I . . . . . . . . . . . . . . . . . . . . . * . * . . * . . * . . . . .
[1]3kfa.a . . . . * * * . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . * . * . . . * . * . . . . .
[1]3mss.b . . . . * * . . . . . . * . - - . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . . . . * . . . . .
[1]3oxz.a . . . . * * * . . . . . * . - - . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . - - - - - Y . . . .
[1]3oy3.a . . . . * * * . . . . . * . . . . . . * . . . . . . . . . . I . . . . . . . . . . . . . . . . . . . . . * . * . . . * . * . . . . .
[1]3qri.a . * . . * * * . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . * . * . . . * . * . . . . .
[1]3qrj.a . * . . * * * . . . . . . . - . . . . * . . . . . . . . . . I . . . . . . . . . . . . . . . . . . . . . * . * . . * . . * . . . . .
[1]3qrk.a . * . . * * * . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . . . . * . . . . .
[1]5hu9.a . . . . . * . . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . * . . . . - - - . . . .
[1]5mo4.a . . . . * * . . . . . . * . - . . . . * . . . . . . . . . . I . . . . . . . . . * . . . N . . . . . . . * - - - - - - - - - - - - .
[2]2f4j.a . * . . * * * . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . . . . P . . . .
[2]2g2i.b . . . - - - - . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * . . . . P . . . .
[2]2gqg.a . . . . * * * . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * . . . . * . . . . .
[2]2hz4.b . - - - - - . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * . . . . . . . . .
[2]2hz4.c * - - - - - . . . . . . . . . . . . . * . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . . . . . . . . .
[2]2qoh.a . * . . * * * . . . . . . . - . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * . . . . . . . . .
[2]2v7a.a . . * * . . . . . . . . * . . . . . . * . . . . . . . . . . I . . . . . . . . . . . . . . . . . . . . * * * * * * . . . * . . . . .
[2]2z60.a * * . . * * * . . . . . * . - . . . . * . . . . . . . . . . I . . . . . . * . . . . . . . . . . . . . . * * * * * . . . . . . . . .
[2]3kf4.a . . . . * * . . . . . . * . - - . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * . . . . . . . . . .
[2]4twp.a . . . . * * * . . . . . * . - . . . . * . . . . . . . . . . I . . . . . . . . . . . . . . . . . . . . . * * * * * . . . . . . . . .
[3]1m52.a . * . . * * . . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * * . . . . . . . . . .
[3]1opk.a . * . . * * . . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . N . . . . . . * * * * * . . . . . . . . . .
[3]2g2h.a . * . . * * . . . . . . * . * . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * . . . . . P . . . .
[3]2hzi.a . * . . * * . . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * . . . . . . . . . .
[3]3dk3.a * * . . * * * . . . . . * . - . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * . . . . F . . . . .
[3]3dk6.a . - - . * F * . . . . . * . - . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * . . . . * . . . . .
[3]3dk7.b * * . . * * * . . . . . . . . . . . . * . . . . . . . . . . I . . . . . . . . . . . . . . . . . . . . * * * * * . . . . * . . . . .
[3]4wa9.b . . . . * * * . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * . * * * . . . . . . . . . .
[3]4zog.a . * . . * * * . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * . . . . . . . . . .
[4]2g2f.a . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . * * * * * * . . . . . P . . . .
[4]2g2f.b . - - - - - . . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . * * * * * * . . . . . P . . . .
[4]3dk6.b - - - - - - - . . . . . . . - . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * . . . . * . . . . .
[4]3ue4.a . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . * * * * * . . . . . . . . . .
[4]4xey.b . - - - - - - . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * . . . . . . . . . .
[4]4yc8.a . - - - - - - . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . * * * * * . . . . . . . . . .
[5]2hz0.a * . * . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . * * * . . . . * * . * * . * * . . . . . . .
[6]2g1t.a . . * * . . . . . . . . * . . . . . . . . . * . . . . . * . * . . . . . . . . . * . . . . . . . . . . * * * * . * . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

zoom: [−] [+]; [view as image]; [download as text]

pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1fpu.a:prc
2e2b.a:406
2hiw.a:7mp
2hzn.a:kin
3cs9.a:nil
3ik3.b:0li
3kfa.a:b91
3mss.b:sti
3oxz.a:0li
3oy3.a:xy3
3qri.a:919
3qrj.a:919
3qrk.a:9dp
5hu9.a:66k
5mo4.a:nil
2f4j.a:vx6
2g2i.b:adp
2gqg.a:1n1
2hz4.b:4st
2hz4.c is apo
2qoh.a:p3y
2v7a.a:627,mg
2z60.a:p3y
3kf4.a:b90
4twp.a:axi
1m52.a:p17
1opk.a:p16
2g2h.a:p16
2hzi.a:jin
3dk3.a:sx7
3dk6.a:sx7
3dk7.b:sx7
4wa9.b:axi
4zog.a:vx6
2g2f.a:112
2g2f.b:ags
3dk6.b:sx7
3ue4.a:db8
4xey.b:1n1
4yc8.a:4b7
2hz0.a:gin
2g1t.a:112,mg
[1] 1fpu.a
0
0.2 0 0.7 0 0.1 0.4 0 0.1 0.1 0.7 1.1 0.5 0.3 0.1 3.1 7.1 0.5 7.7 - 3.5 6.1 3.9 0.4 5.9 1.2 1.0 0.2 0.8 2.0 3.2 1.7 5.9 3.4 12 7.7 1.1 3.5 1.0 3.3 0.2 13
[1] 2e2b.a 0.1
0.2
0 0.7 0 0.2 0.4 0 0.1 0.1 0.7 0.9 0.6 0.2 0.1 3.6 8.3 0.8 7.2 - 3.9 6.0 4.1 0.8 5.5 1.4 1.1 0.3 0.9 2.2 3.6 1.7 5.6 3.5 12 7.7 1.2 3.8 1.3 3.8 0.6 13
[1] 2hiw.a 0.1 0.4
0
0.7 0.1 0 0.3 0.1 0.1 0.5 0.5 1.2 0.3 0.2 0.2 2.6 7.5 0.4 7.9 - 3.3 5.5 3.9 0.3 5.6 0.8 0.6 0.2 0.8 1.6 2.9 1.4 6.3 2.5 12 8.0 0.6 3.8 0.8 3.7 0.4 13
[1] 2hzn.a 0.8 2.6 0.6
0.1
0.9 1.7 0.4 2.3 1.9 1.9 1.0 1.6 1.2 1.7 1.3 2.5 1.7 0.6 3.4 - 1.7 3.8 2.2 0.7 5.0 1.3 1.3 0.8 1.3 1.1 1.0 0.9 4.1 2.1 7.6 2.7 0.8 2.2 0.4 4.0 1.7 9.9
[1] 3cs9.a 0 1.3 0 0.5
0
1.1 0.2 1.2 1.4 1.9 0.5 0.9 0.6 0.9 0.1 3.0 7.9 0.7 7.3 - 3.4 5.3 3.6 0.4 5.8 1.1 0.7 0.2 0.8 1.8 3.1 1.4 5.9 3.1 12 8.1 0.8 3.3 1.2 3.9 1.4 13
[1] 3ik3.b 1.0 0.9 0.5 0.6 0.8
0
0.3 0.7 0.1 0.1 0.5 0.5 0.5 0.9 1.3 4.3 9.9 0.9 7.8 - 4.6 6.4 4.5 0.3 5.7 2.4 2.5 1.0 1.9 3.5 4.7 3.3 5.2 4.5 15 9.3 3.0 4.8 1.4 4.7 0.7 14
[1] 3kfa.a 1.2 3.4 0.5 0.8 0.8 2.7
0
3.3 2.7 2.8 1.0 1.1 1.6 2.4 1.5 2.4 7.0 0.2 7.0 - 3.3 5.1 3.4 0.2 5.2 1.2 1.4 0.8 1.4 2.8 2.6 2.4 5.2 2.3 10 7.2 2.0 3.2 0.3 4.1 2.4 12
[1] 3mss.b 0.1 0.2 0 0.7 0 0.1 0.4
0
0.2 0.1 0.8 1.1 0.4 0.2 0.1 2.9 8.0 0.9 7.5 - 3.7 6.6 3.9 0.7 5.8 1.0 0.7 0.3 0.7 1.9 3.3 1.4 5.4 3.3 12 7.7 1.2 3.7 1.1 4.3 0.5 12
[1] 3oxz.a 1.1 1.3 0.5 0.8 0.8 0 0.1 1.0
0.1
0.1 0.4 0.4 0.5 0.7 1.4 4.6 11 0.7 7.6 - 4.5 6.3 4.8 0.1 5.6 2.3 2.3 0.9 1.5 3.4 5.4 3.2 5.4 4.1 14 9.1 3.2 4.6 1.4 4.9 0.8 13
[1] 3oy3.a 0.8 1.1 0.5 0.9 0.8 0 0.3 0.8 0.2
0
0.7 0.9 0.6 0.8 1.1 2.2 7.2 0.5 7.1 - 3.9 5.7 3.9 0.4 5.6 1.3 1.5 1.1 1.5 2.7 2.5 2.4 5.4 2.3 11 7.1 2.1 3.8 0.3 4.4 1.2 12
[1] 3qri.a 1.0 2.2 0.7 0.4 0.8 1.3 0.5 2.4 1.4 1.1
0
0 0.2 1.2 1.2 2.8 6.8 0.5 7.7 - 3.4 5.6 3.6 0.3 5.1 1.5 1.9 1.2 1.8 2.6 2.9 2.3 4.7 2.7 11 7.6 1.9 3.3 0.3 4.9 1.3 12
[1] 3qrj.a 1.4 1.8 0.9 0.8 1.5 0.4 0.6 1.7 0.5 0.7 0.2
0
0.6 1.1 1.9 2.4 7.4 1.4 7.4 - 3.5 5.3 3.5 0.6 4.9 2.0 1.9 1.0 2.2 3.0 4.1 2.5 5.1 2.7 11 6.9 1.9 4.8 1.5 6.0 1.5 13
[1] 3qrk.a 1.1 1.1 0.8 0.2 1.0 0.2 0.7 1.0 0.4 0.6 0.3 0.3
0
0.9 1.4 2.6 6.8 0.7 7.3 - 3.3 5.3 3.2 0.6 5.2 1.5 1.8 1.1 1.8 2.7 2.6 2.4 4.5 2.6 11 7.0 1.9 3.3 0.3 4.4 1.0 12
[1] 5hu9.a 0.5 0.8 0.4 0.3 0.3 0.5 0.2 0.6 0.6 0.5 0.1 0.7 0.2
0
0.7 3.1 5.7 0.3 4.9 - 1.9 4.2 2.1 0.2 5.0 0.7 1.0 0.6 1.0 0.8 3.6 0.9 5.1 3.0 8.6 5.5 0.5 2.5 0.3 3.7 0 7.0
[1] 5mo4.a 0.3 2.1 0.3 0.6 0.3 1.9 0.8 2.2 1.9 2.1 0.8 1.0 0.2 1.7
0
3.1 7.1 1.2 7.6 - 3.6 4.2 3.9 1.0 4.9 1.1 1.1 0.7 1.1 2.1 2.3 1.5 5.2 2.6 6.8 6.8 1.1 3.6 1.5 4.3 1.9 6.7
[2] 2f4j.a 3.9 12 6.0 6.1 7.5 12 8.1 9.5 11 12 8.0 8.0 8.3 11 7.3
0
6.9 0.3 4.6 - 0.6 0.8 0.8 0.3 2.1 0.5 0.4 0.3 0.4 0.7 1.1 0.5 2.7 0 4.7 5.0 0 1.0 0.3 3.0 7.4 4.8
[2] 2g2i.b 4.5 11 5.7 6.5 9.1 11 9.2 8.5 10 11 8.6 8.7 8.7 9.5 8.8 0.5
0
0.6 0.2 - 0.1 0.3 0.2 0.6 1.0 0.5 0.7 0.4 0.7 0.4 0.1 0.2 1.4 0.5 0.2 0 0.1 1.1 0.5 2.9 6.5 0.8
[2] 2gqg.a 5.2 12 6.7 6.3 7.8 12 8.7 9.8 10 11 8.1 7.9 9.4 11 8.6 1.9 6.6
0
5.4 - 1.7 3.7 1.6 0.2 3.7 0.9 1.7 0.7 1.3 0.8 0.8 0.7 2.7 2.1 6.1 5.3 0.6 1.0 0.3 2.5 7.4 4.7
[2] 2hz4.b 5.4 11 6.2 6.5 8.5 10 8.8 8.4 10 10 8.9 9.0 9.0 10 8.3 0.3 0 0.4
0
- 0.1 0.4 0.1 0.7 0.5 0.7 0.7 0.5 0.6 0.6 0.1 0.4 1.4 0.3 0 0.2 0 0.7 0.2 3.7 6.9 1.3
[2] 2hz4.c 5.2 13 6.2 6.4 9.3 11 8.2 9.6 11 12 8.4 8.9 8.4 11 8.9 1.2 0.4 0.7 0.5
-
0.6 1.1 0.5 0.8 1.4 0.6 0.5 0.6 0.6 0.6 0.5 0.5 1.9 1.0 0.2 0.4 0.2 1.6 0.8 4.2 7.0 1.5
[2] 2qoh.a 5.6 12 6.0 6.6 8.8 11 8.5 10 11 12 8.8 9.3 9.1 11 8.1 1.6 7.9 0.9 5.7 -
0
2.6 0 0.5 0.7 0.4 0.4 0.3 0.6 0.2 2.2 0.1 0.7 1.4 5.9 6.6 0.2 1.6 0.6 4.4 7.0 6.0
[2] 2v7a.a 5.7 14 7.0 7.5 9.1 12 9.2 11 13 14 9.3 8.8 10 12 9.0 1.6 2.8 1.3 1.4 - 1.0
0.1
1.0 1.1 1.4 1.6 1.5 1.5 1.6 0.4 1.3 0.1 2.4 1.5 1.0 1.6 1.0 2.2 1.5 4.5 8.6 1.7
[2] 2z60.a 5.4 13 6.5 6.9 8.9 12 10 9.9 12 13 9.1 9.3 9.0 11 8.5 1.9 8.2 1.5 5.8 - 0 3.0
0
1.1 0.7 0.7 0.6 0.8 0.6 0.2 2.5 0.1 0.7 1.7 5.8 6.4 0.1 1.4 1.2 4.9 7.7 5.8
[2] 3kf4.a 4.9 13 6.3 6.4 8.0 12 8.6 9.8 11 12 8.3 8.7 9.1 11 8.2 2.5 7.0 0.8 4.4 - 1.7 0.3 1.7
0
1.7 1.5 1.3 0.8 1.1 1.8 3.7 1.4 2.1 2.3 6.7 6.8 1.6 1.7 1.8 3.1 7.9 5.3
[2] 4twp.a 5.5 13 6.2 7.2 9.2 13 8.8 10 12 13 9.1 9.5 9.3 12 8.2 3.7 9.6 1.8 5.3 - 1.7 1.3 1.4 1.4
0
2.6 2.3 1.6 2.5 1.8 3.8 1.1 0.6 3.8 8.1 7.4 1.3 3.0 2.6 5.1 8.1 6.3
[3] 1m52.a 4.2 12 5.4 5.7 7.4 11 6.2 10 11 13 7.2 6.6 6.3 11 6.8 0.8 8.1 0.6 5.6 - 0.3 2.6 0.7 0.6 2.1
0
0 0.2 0 0.4 1.4 0.2 2.4 0.7 6.6 7.5 0.2 1.5 0.6 4.5 8.0 6.2
[3] 1opk.a 4.2 11 5.1 6.3 8.5 10 7.5 9.5 9.4 11 7.5 7.4 6.8 10 6.6 1.5 8.0 1.2 6.2 - 0.1 3.1 0.2 0.4 2.2 0
0
0.2 0 0.1 1.4 0.1 1.6 1.0 7.5 8.6 0.3 1.9 0.5 4.3 8.2 6.4
[3] 2g2h.a 5.1 13 5.8 6.4 10 12 9.0 11 11 13 12 12 12 11 9.2 0.8 7.8 0.4 5.9 - 0.1 2.8 0.2 0.2 2.0 0.1 0.1
0
0.1 0 1.0 0 1.6 0.8 6.9 6.7 0.1 1.0 0.2 3.0 8.8 5.7
[3] 2hzi.a 4.2 11 5.6 6.3 8.5 11 7.3 9.6 10 11 7.4 7.8 6.9 10 6.9 1.2 7.8 1.0 6.1 - 0.3 3.5 0.5 0.5 2.6 0 0 0.2
0
0.2 1.5 0.4 2.4 0.8 7.2 7.8 0.3 2.1 0.5 4.1 8.7 6.6
[3] 3dk3.a 9.3 15 9.7 10 13 15 12 14 14 16 13 13 13 15 13 5.4 8.4 4.3 8.1 - 1.0 3.6 1.0 3.5 1.8 3.0 3.2 2.8 3.0
0
3.8 0.5 1.7 5.0 7.0 6.4 0.7 5.6 3.9 5.9 12 6.3
[3] 3dk6.a 8.6 14 9.7 11 13 15 12 13 14 15 12 13 13 13 12 2.5 5.6 2.9 2.4 - 0.3 1.1 0.6 4.0 0.5 3.5 3.6 3.4 3.7 3.0
0
3.3 1.1 1.7 3.4 2.6 0 1.8 3.3 2.4 12 2.1
[3] 3dk7.b 5.0 12 6.9 7.3 9.8 12 9.4 11 12 12 9.0 8.8 9.0 11 9.3 2.4 8.6 1.9 5.8 - 0.2 3.2 0.1 1.4 0.7 0.9 1.0 1.0 1.3 0 2.5
0
0.2 1.8 6.9 6.9 0.2 1.9 1.5 2.5 9.2 6.4
[3] 4wa9.b 4.6 12 6.0 5.7 7.8 11 6.4 11 11 12 7.8 7.9 7.6 8.7 6.9 3.5 10 2.0 6.2 - 1.0 2.7 1.0 1.3 0.2 2.1 1.6 1.4 1.4 1.1 2.8 1.0
0
3.9 8.8 8.7 1.0 2.8 1.5 4.9 7.6 7.0
[3] 4zog.a 6.4 12 7.0 8.4 11 12 11 11 11 12 11 12 12 11 12 0.1 7.1 0.2 4.4 - 0.1 0.5 0.1 0.4 1.1 0.5 0.3 0.2 0.4 0.1 1.0 0.1 1.6
0.1
4.5 6.5 0 0.3 0.2 4.2 9.5 3.8
[4] 2g2f.a 6.5 13 7.1 7.6 10 12 9.5 12 12 12 12 12 12 13 10 0.4 0.5 0.6 0.1 - 0 0.4 0.1 0.3 1.1 0.4 0.5 0.3 0.4 0 0.1 0.2 1.3 0.4
0
0.1 0 0.8 0.2 3.5 9.5 0.4
[4] 2g2f.b 4.3 12 5.7 5.3 7.4 12 6.4 11 12 13 8.4 8.4 7.9 11 6.5 0.2 0 0.2 0 - 0.1 0.2 0.1 0.4 0.5 0.1 0.3 0.2 0.3 0.2 0.1 0.1 1.1 0.2 0
0
0 0.5 0.3 2.2 8.7 0.3
[4] 3dk6.b 7.7 13 9.0 11 12 15 12 13 14 15 13 14 13 12 12 2.4 0 2.9 0.9 - 0.3 0.6 0.4 4.0 0.4 3.3 3.5 3.1 3.5 2.6 0.1 3.5 0.5 1.5 0 0
0
1.5 3.5 0.7 12 0.7
[4] 3ue4.a 5.8 13 6.9 7.4 9.5 12 8.7 12 12 12 9.5 9.2 9.8 12 8.9 0.2 0 0.2 0.3 - 0.1 0.1 0.2 0.4 1.7 0.4 0.5 0.5 0.4 0.1 0.1 0.1 2.0 0.1 0 0 0
0
0.1 2.6 9.6 0.4
[4] 4xey.b 4.4 12 5.1 5.7 9.3 11 8.0 11 11 13 11 11 11 11 8.6 0.4 0.4 0.3 0.3 - 0.1 0.2 0.3 0.1 0.8 0.3 0.2 0.1 0.1 0.2 0 0.2 1.1 0.3 0 0.1 0 0.6
0
2.5 7.6 0.9
[4] 4yc8.a 7.0 14 8.1 10 14 14 12 12 14 15 11 12 13 14 13 1.6 0 2.8 0.9 - 0.4 0.3 0.4 3.3 0.1 3.1 3.3 3.0 3.3 2.7 0.1 3.6 0.5 1.1 0 0.1 0 0.7 3.4
0
12 0.7
[5] 2hz0.a 0.8 3.5 0.9 0.5 2.5 2.7 2.8 2.6 2.7 3.7 5.2 4.5 5.8 2.5 3.2 3.4 5.5 0.8 6.3 - 2.5 5.3 2.8 0.7 6.4 1.2 1.5 1.0 1.5 1.9 2.0 1.9 5.7 3.5 6.9 5.1 1.1 3.7 0.7 4.0
0
7.9
[6] 2g1t.a 4.2 11 6.7 6.1 8.9 11 9.3 10 12 12 10 11 13 11 9.4 1.8 2.1 2.2 1.6 - 1.0 1.3 1.3 2.3 3.0 1.3 1.6 1.6 1.4 1.1 1.2 0.5 4.0 1.6 2.4 1.2 0.6 2.0 2.0 4.0 7.9
0.2
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (6 clusters)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
1fpu.a
2e2b.a
2hiw.a
2hzn.a
3cs9.a
3ik3.b
3kfa.a
3mss.b
3oxz.a
3oy3.a
3qri.a
3qrj.a
3qrk.a
5hu9.a
5mo4.a
2f4j.a
2g2i.b
2gqg.a
2hz4.b
2hz4.c
2qoh.a
2v7a.a
2z60.a
3kf4.a
4twp.a
1m52.a
1opk.a
2g2h.a
2hzi.a
3dk3.a
3dk6.a
3dk7.b
4wa9.b
4zog.a
2g2f.a
2g2f.b
3dk6.b
3ue4.a
4xey.b
4yc8.a
2hz0.a
2g1t.a
[1] 1fpu.a
0
.09 .06 .23 .12 .14 .19 .10 .22 .15 .18 .17 .14 .23 .23 .31 .36 .29 .36 .38 .31 .35 .32 .28 .32 .37 .35 .34 .37 .31 .33 .39 .41 .31 .35 .38 .32 .36 .39 .31 .41 .45
[1] 2e2b.a .09
0
.09 .22 .09 .07 .15 .05 .16 .11 .14 .14 .13 .21 .20 .27 .35 .27 .36 .37 .27 .41 .28 .25 .26 .31 .30 .29 .31 .26 .28 .34 .34 .25 .36 .38 .32 .35 .38 .32 .44 .49
[1] 2hiw.a .06 .09
0
.23 .13 .12 .19 .11 .22 .17 .18 .18 .15 .23 .24 .33 .37 .31 .38 .39 .32 .37 .33 .30 .33 .37 .36 .34 .38 .34 .34 .40 .41 .32 .35 .38 .34 .37 .40 .34 .40 .44
[1] 2hzn.a .23 .22 .23
0
.22 .22 .18 .22 .35 .20 .19 .25 .21 .23 .28 .39 .28 .40 .30 .31 .42 .34 .42 .41 .43 .43 .43 .41 .43 .41 .34 .47 .49 .36 .27 .29 .28 .26 .30 .28 .34 .34
[1] 3cs9.a .12 .09 .13 .22
0
.10 .13 .07 .20 .12 .11 .15 .13 .26 .19 .30 .39 .30 .40 .41 .30 .43 .30 .28 .30 .34 .35 .31 .37 .31 .31 .39 .37 .30 .37 .39 .36 .38 .40 .34 .48 .49
[1] 3ik3.b .14 .07 .12 .22 .10
0
.13 .05 .14 .09 .13 .13 .12 .23 .21 .28 .38 .28 .38 .39 .29 .42 .29 .27 .25 .34 .33 .31 .34 .29 .29 .37 .33 .26 .38 .41 .37 .39 .42 .37 .44 .48
[1] 3kfa.a .19 .15 .19 .18 .13 .13
0
.13 .22 .09 .09 .15 .11 .21 .21 .28 .38 .30 .38 .39 .30 .41 .31 .31 .33 .34 .35 .32 .35 .32 .29 .39 .41 .26 .38 .40 .36 .37 .40 .36 .43 .46
[1] 3mss.b .10 .05 .11 .22 .07 .05 .13
0
.17 .08 .12 .13 .11 .22 .19 .26 .37 .26 .36 .37 .27 .39 .27 .26 .26 .32 .31 .30 .32 .27 .28 .36 .35 .26 .37 .40 .34 .37 .41 .34 .44 .48
[1] 3oxz.a .22 .16 .22 .35 .20 .14 .22 .17
0
.17 .21 .21 .21 .20 .20 .25 .37 .24 .37 .37 .25 .41 .25 .25 .24 .33 .31 .29 .33 .28 .28 .35 .33 .25 .38 .41 .37 .39 .42 .36 .46 .50
[1] 3oy3.a .15 .11 .17 .20 .12 .09 .09 .08 .17
0
.09 .12 .09 .19 .22 .24 .35 .26 .35 .36 .28 .38 .28 .29 .29 .33 .33 .29 .33 .28 .26 .36 .39 .23 .34 .38 .34 .36 .38 .33 .42 .47
[1] 3qri.a .18 .14 .18 .19 .11 .13 .09 .12 .21 .09
0
.09 .07 .21 .20 .28 .39 .30 .40 .40 .30 .43 .31 .31 .32 .32 .32 .28 .32 .29 .30 .35 .39 .24 .36 .39 .37 .37 .38 .35 .44 .46
[1] 3qrj.a .17 .14 .18 .25 .15 .13 .15 .13 .21 .12 .09
0
.08 .23 .25 .29 .40 .31 .41 .40 .29 .43 .28 .32 .32 .32 .30 .29 .31 .26 .32 .31 .39 .25 .37 .40 .37 .38 .39 .35 .43 .48
[1] 3qrk.a .14 .13 .15 .21 .13 .12 .11 .11 .21 .09 .07 .08
0
.19 .22 .28 .35 .30 .36 .36 .29 .40 .31 .30 .32 .32 .31 .28 .32 .28 .28 .33 .37 .24 .33 .36 .32 .34 .35 .31 .41 .46
[1] 5hu9.a .23 .21 .23 .23 .26 .23 .21 .22 .20 .19 .21 .23 .19
0
.21 .25 .24 .26 .24 .26 .24 .31 .26 .27 .29 .30 .32 .28 .31 .31 .23 .34 .37 .23 .24 .27 .26 .26 .27 .25 .32 .40
[1] 5mo4.a .23 .20 .24 .28 .19 .21 .21 .19 .20 .22 .20 .25 .22 .21
0
.29 .34 .29 .34 .36 .29 .40 .29 .28 .27 .37 .35 .34 .37 .34 .35 .39 .39 .30 .39 .41 .38 .39 .42 .38 .44 .45
[2] 2f4j.a .31 .27 .33 .39 .30 .28 .28 .26 .25 .24 .28 .29 .28 .25 .29
0
.21 .09 .21 .20 .12 .21 .12 .11 .14 .29 .29 .24 .28 .21 .22 .31 .35 .20 .33 .35 .29 .33 .36 .32 .35 .48
[2] 2g2i.b .36 .35 .37 .28 .39 .38 .38 .37 .37 .35 .39 .40 .35 .24 .34 .21
0
.22 .07 .10 .20 .16 .23 .23 .24 .40 .41 .37 .39 .32 .25 .41 .46 .33 .24 .24 .17 .23 .26 .21 .26 .38
[2] 2gqg.a .29 .27 .31 .40 .30 .28 .30 .26 .24 .26 .30 .31 .30 .26 .29 .09 .22
0
.25 .22 .13 .23 .14 .11 .14 .32 .31 .27 .30 .23 .23 .32 .35 .26 .36 .39 .32 .36 .40 .36 .40 .48
[2] 2hz4.b .36 .36 .38 .30 .40 .38 .38 .36 .37 .35 .40 .41 .36 .24 .34 .21 .07 .25
0
.09 .19 .16 .21 .26 .24 .38 .41 .36 .39 .33 .25 .43 .45 .33 .22 .24 .17 .24 .24 .20 .23 .38
[2] 2hz4.c .38 .37 .39 .31 .41 .39 .39 .37 .37 .36 .40 .40 .36 .26 .36 .20 .10 .22 .09
0
.22 .15 .23 .23 .25 .39 .39 .38 .37 .31 .26 .41 .46 .34 .25 .27 .19 .25 .27 .23 .24 .37
[2] 2qoh.a .31 .27 .32 .42 .30 .29 .30 .27 .25 .28 .30 .29 .29 .24 .29 .12 .20 .13 .19 .22
0
.27 .05 .17 .13 .28 .29 .26 .29 .20 .25 .29 .35 .23 .35 .37 .32 .38 .38 .34 .34 .50
[2] 2v7a.a .35 .41 .37 .34 .43 .42 .41 .39 .41 .38 .43 .43 .40 .31 .40 .21 .16 .23 .16 .15 .27
0
.26 .24 .25 .43 .45 .41 .44 .38 .30 .46 .50 .36 .26 .30 .25 .27 .31 .26 .28 .32
[2] 2z60.a .32 .28 .33 .42 .30 .29 .31 .27 .25 .28 .31 .28 .31 .26 .29 .12 .23 .14 .21 .23 .05 .26
0
.18 .11 .30 .30 .27 .30 .21 .26 .28 .36 .25 .36 .38 .33 .40 .41 .36 .36 .49
[2] 3kf4.a .28 .25 .30 .41 .28 .27 .31 .26 .25 .29 .31 .32 .30 .27 .28 .11 .23 .11 .26 .23 .17 .24 .18
0
.15 .36 .32 .29 .33 .24 .25 .34 .35 .27 .36 .37 .30 .34 .38 .34 .40 .48
[2] 4twp.a .32 .26 .33 .43 .30 .25 .33 .26 .24 .29 .32 .32 .32 .29 .27 .14 .24 .14 .24 .25 .13 .25 .11 .15
0
.34 .34 .31 .33 .26 .27 .32 .30 .28 .38 .40 .34 .39 .42 .37 .43 .46
[3] 1m52.a .37 .31 .37 .43 .34 .34 .34 .32 .33 .33 .32 .32 .32 .30 .37 .29 .40 .32 .38 .39 .28 .43 .30 .36 .34
0
.08 .14 .07 .18 .20 .15 .16 .12 .25 .22 .28 .24 .25 .29 .48 .56
[3] 1opk.a .35 .30 .36 .43 .35 .33 .35 .31 .31 .33 .32 .30 .31 .32 .35 .29 .41 .31 .41 .39 .29 .45 .30 .32 .34 .08
0
.14 .04 .14 .21 .12 .17 .14 .28 .23 .28 .25 .29 .30 .48 .56
[3] 2g2h.a .34 .29 .34 .41 .31 .31 .32 .30 .29 .29 .28 .29 .28 .28 .34 .24 .37 .27 .36 .38 .26 .41 .27 .29 .31 .14 .14
0
.14 .15 .18 .20 .21 .12 .21 .24 .27 .24 .22 .27 .45 .58
[3] 2hzi.a .37 .31 .38 .43 .37 .34 .35 .32 .33 .33 .32 .31 .32 .31 .37 .28 .39 .30 .39 .37 .29 .44 .30 .33 .33 .07 .04 .14
0
.12 .18 .12 .17 .13 .27 .22 .26 .24 .27 .29 .47 .55
[3] 3dk3.a .31 .26 .34 .41 .31 .29 .32 .27 .28 .28 .29 .26 .28 .31 .34 .21 .32 .23 .33 .31 .20 .38 .21 .24 .26 .18 .14 .15 .12
0
.12 .15 .22 .15 .29 .28 .21 .27 .30 .25 .44 .52
[3] 3dk6.a .33 .28 .34 .34 .31 .29 .29 .28 .28 .26 .30 .32 .28 .23 .35 .22 .25 .23 .25 .26 .25 .30 .26 .25 .27 .20 .21 .18 .18 .12
0
.20 .24 .14 .21 .20 .14 .18 .23 .16 .41 .44
[3] 3dk7.b .39 .34 .40 .47 .39 .37 .39 .36 .35 .36 .35 .31 .33 .34 .39 .31 .41 .32 .43 .41 .29 .46 .28 .34 .32 .15 .12 .20 .12 .15 .20
0
.17 .16 .31 .25 .28 .28 .32 .30 .52 .53
[3] 4wa9.b .41 .34 .41 .49 .37 .33 .41 .35 .33 .39 .39 .39 .37 .37 .39 .35 .46 .35 .45 .46 .35 .50 .36 .35 .30 .16 .17 .21 .17 .22 .24 .17
0
.20 .32 .26 .34 .29 .32 .36 .54 .59
[3] 4zog.a .31 .25 .32 .36 .30 .26 .26 .26 .25 .23 .24 .25 .24 .23 .30 .20 .33 .26 .33 .34 .23 .36 .25 .27 .28 .12 .14 .12 .13 .15 .14 .16 .20
0
.21 .22 .23 .19 .22 .23 .43 .50
[4] 2g2f.a .35 .36 .35 .27 .37 .38 .38 .37 .38 .34 .36 .37 .33 .24 .39 .33 .24 .36 .22 .25 .35 .26 .36 .36 .38 .25 .28 .21 .27 .29 .21 .31 .32 .21
0
.10 .15 .11 .11 .15 .33 .42
[4] 2g2f.b .38 .38 .38 .29 .39 .41 .40 .40 .41 .38 .39 .40 .36 .27 .41 .35 .24 .39 .24 .27 .37 .30 .38 .37 .40 .22 .23 .24 .22 .28 .20 .25 .26 .22 .10
0
.13 .07 .10 .13 .37 .45
[4] 3dk6.b .32 .32 .34 .28 .36 .37 .36 .34 .37 .34 .37 .37 .32 .26 .38 .29 .17 .32 .17 .19 .32 .25 .33 .30 .34 .28 .28 .27 .26 .21 .14 .28 .34 .23 .15 .13
0
.11 .15 .06 .34 .42
[4] 3ue4.a .36 .35 .37 .26 .38 .39 .37 .37 .39 .36 .37 .38 .34 .26 .39 .33 .23 .36 .24 .25 .38 .27 .40 .34 .39 .24 .25 .24 .24 .27 .18 .28 .29 .19 .11 .07 .11
0
.11 .10 .37 .41
[4] 4xey.b .39 .38 .40 .30 .40 .42 .40 .41 .42 .38 .38 .39 .35 .27 .42 .36 .26 .40 .24 .27 .38 .31 .41 .38 .42 .25 .29 .22 .27 .30 .23 .32 .32 .22 .11 .10 .15 .11
0
.15 .36 .49
[4] 4yc8.a .31 .32 .34 .28 .34 .37 .36 .34 .36 .33 .35 .35 .31 .25 .38 .32 .21 .36 .20 .23 .34 .26 .36 .34 .37 .29 .30 .27 .29 .25 .16 .30 .36 .23 .15 .13 .06 .10 .15
0
.35 .43
[5] 2hz0.a .41 .44 .40 .34 .48 .44 .43 .44 .46 .42 .44 .43 .41 .32 .44 .35 .26 .40 .23 .24 .34 .28 .36 .40 .43 .48 .48 .45 .47 .44 .41 .52 .54 .43 .33 .37 .34 .37 .36 .35
0
.44
[6] 2g1t.a .45 .49 .44 .34 .49 .48 .46 .48 .50 .47 .46 .48 .46 .40 .45 .48 .38 .48 .38 .37 .50 .32 .49 .48 .46 .56 .56 .58 .55 .52 .44 .53 .59 .50 .42 .45 .42 .41 .49 .43 .44
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 3.5 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1fpu.a
2e2b.a
2hiw.a
2hzn.a
3cs9.a
3ik3.b
3kfa.a
3mss.b
3oxz.a
3oy3.a
3qri.a
3qrj.a
3qrk.a
5hu9.a
5mo4.a
2f4j.a
2g2i.b
2gqg.a
2hz4.b
2hz4.c
2qoh.a
2v7a.a
2z60.a
3kf4.a
4twp.a
1m52.a
1opk.a
2g2h.a
2hzi.a
3dk3.a
3dk6.a
3dk7.b
4wa9.b
4zog.a
2g2f.a
2g2f.b
3dk6.b
3ue4.a
4xey.b
4yc8.a
2hz0.a
2g1t.a
[1] 1fpu.a
0
1.2 0.5 1.3 1.1 1.3 1.4 1.1 1.8 1.4 1.9 1.9 2.0 3.8 1.2 7.0 7.2 7.1 7.2 7.0 7.0 7.2 7.1 7.2 7.1 7.5 7.4 7.3 7.4 7.2 7.4 7.4 7.3 7.4 7.6 7.7 7.9 7.7 7.7 7.8 6.2 5.8
[1] 2e2b.a 1.2
0
1.1 1.2 0.3 0.6 0.8 0.5 1.4 0.8 1.4 1.4 1.4 3.1 0.6 6.1 6.3 6.3 6.3 6.2 6.1 6.3 6.2 6.3 6.1 6.5 6.5 6.3 6.4 6.3 6.5 6.4 6.3 6.5 6.6 6.7 6.8 6.7 6.7 6.8 5.8 5.4
[1] 2hiw.a 0.5 1.1
0
1.2 1.1 1.2 1.3 1.1 1.8 1.3 1.8 1.8 1.9 3.7 1.2 6.9 7.1 7.0 7.0 7.0 6.9 7.0 7.0 7.1 7.0 7.3 7.3 7.1 7.2 7.1 7.3 7.3 7.2 7.3 7.4 7.6 7.8 7.6 7.5 7.7 6.1 5.7
[1] 2hzn.a 1.3 1.2 1.2
0
1.1 1.2 1.1 1.2 1.7 1.1 1.9 1.9 1.9 3.8 1.3 7.1 7.1 7.2 7.1 7.0 7.1 7.1 7.2 7.3 7.2 7.5 7.5 7.3 7.4 7.3 7.5 7.5 7.4 7.5 7.4 7.6 7.8 7.5 7.6 7.8 6.0 5.5
[1] 3cs9.a 1.1 0.3 1.1 1.1
0
0.6 0.8 0.5 1.4 0.8 1.4 1.4 1.4 3.7 0.5 7.0 7.2 7.1 7.2 7.1 7.0 7.2 7.0 7.2 7.0 7.5 7.4 7.2 7.3 7.2 7.4 7.4 7.3 7.4 7.5 7.8 7.9 7.7 7.7 7.8 6.3 5.7
[1] 3ik3.b 1.3 0.6 1.2 1.2 0.6
0
0.7 0.7 1.3 0.5 1.2 1.3 1.3 3.7 0.7 7.0 7.2 7.1 7.2 7.0 7.0 7.2 7.1 7.2 7.0 7.4 7.3 7.2 7.3 7.1 7.3 7.3 7.2 7.4 7.5 7.7 7.9 7.6 7.6 7.8 6.3 5.6
[1] 3kfa.a 1.4 0.8 1.3 1.1 0.8 0.7
0
0.9 1.4 0.6 1.2 1.4 1.3 3.7 1.0 7.0 7.2 7.1 7.2 7.1 7.0 7.2 7.1 7.2 7.0 7.4 7.3 7.2 7.3 7.2 7.4 7.3 7.3 7.4 7.4 7.7 7.9 7.6 7.6 7.8 6.2 5.5
[1] 3mss.b 1.1 0.5 1.1 1.2 0.5 0.7 0.9
0
1.5 0.8 1.4 1.4 1.4 3.7 0.6 7.0 7.2 7.1 7.2 7.1 6.9 7.2 7.0 7.1 7.0 7.4 7.4 7.2 7.3 7.1 7.3 7.4 7.3 7.4 7.5 7.7 7.8 7.7 7.7 7.8 6.3 5.5
[1] 3oxz.a 1.8 1.4 1.8 1.7 1.4 1.3 1.4 1.5
0
1.3 1.8 1.8 1.8 2.7 0.8 3.4 3.6 3.6 3.5 3.4 3.5 3.9 3.5 3.5 3.4 3.7 3.7 3.6 3.7 3.6 3.7 3.6 3.5 3.8 4.2 3.9 3.9 4.2 3.8 4.0 3.7 4.2
[1] 3oy3.a 1.4 0.8 1.3 1.1 0.8 0.5 0.6 0.8 1.3
0
1.2 1.4 1.3 3.6 0.9 6.9 7.1 7.1 7.1 7.0 7.0 7.1 7.0 7.1 7.0 7.3 7.3 7.2 7.2 7.1 7.3 7.3 7.2 7.3 7.4 7.7 7.8 7.5 7.6 7.8 6.2 5.6
[1] 3qri.a 1.9 1.4 1.8 1.9 1.4 1.2 1.2 1.4 1.8 1.2
0
0.6 0.5 3.9 0.7 7.0 7.2 7.1 7.2 7.1 7.0 7.2 7.1 7.2 7.0 7.4 7.3 7.2 7.2 7.1 7.3 7.3 7.2 7.4 7.4 7.7 7.9 7.6 7.7 7.8 6.5 5.6
[1] 3qrj.a 1.9 1.4 1.8 1.9 1.4 1.3 1.4 1.4 1.8 1.4 0.6
0
0.7 4.0 0.9 7.0 7.3 7.1 7.2 7.1 7.0 7.2 7.1 7.1 7.0 7.4 7.3 7.2 7.3 7.1 7.3 7.4 7.3 7.4 7.5 7.8 7.9 7.7 7.7 7.8 6.6 5.6
[1] 3qrk.a 2.0 1.4 1.9 1.9 1.4 1.3 1.3 1.4 1.8 1.3 0.5 0.7
0
3.9 0.6 7.0 7.3 7.2 7.3 7.1 7.1 7.2 7.2 7.2 7.1 7.4 7.4 7.2 7.3 7.2 7.4 7.4 7.3 7.4 7.5 7.8 8.0 7.7 7.8 7.9 6.6 5.7
[1] 5hu9.a 3.8 3.1 3.7 3.8 3.7 3.7 3.7 3.7 2.7 3.6 3.9 4.0 3.9
0
1.0 5.1 5.2 5.2 5.1 5.1 5.1 5.4 5.2 5.3 5.1 5.5 5.5 5.3 5.5 5.4 5.5 5.4 5.3 5.5 5.7 5.7 5.8 5.8 5.6 5.8 4.2 5.2
[1] 5mo4.a 1.2 0.6 1.2 1.3 0.5 0.7 1.0 0.6 0.8 0.9 0.7 0.9 0.6 1.0
0
1.4 1.8 1.8 1.5 1.4 1.2 2.4 1.3 1.4 1.2 1.5 1.6 1.5 1.6 1.4 1.4 1.3 1.1 1.7 2.5 1.4 1.3 2.5 1.3 1.5 2.8 3.4
[2] 2f4j.a 7.0 6.1 6.9 7.1 7.0 7.0 7.0 7.0 3.4 6.9 7.0 7.0 7.0 5.1 1.4
0
1.3 1.1 1.3 0.8 0.9 1.7 0.9 0.7 0.8 1.6 1.7 1.6 1.7 1.6 1.5 1.5 1.6 1.6 2.4 1.6 1.5 2.1 1.5 1.4 4.0 5.5
[2] 2g2i.b 7.2 6.3 7.1 7.1 7.2 7.2 7.2 7.2 3.6 7.1 7.2 7.3 7.3 5.2 1.8 1.3
0
1.4 1.0 1.0 1.2 1.2 1.3 1.5 1.4 1.8 2.0 1.9 2.0 2.0 1.7 1.9 1.9 2.1 1.8 1.6 1.6 1.6 1.6 1.6 3.3 5.2
[2] 2gqg.a 7.1 6.3 7.0 7.2 7.1 7.1 7.1 7.1 3.6 7.1 7.1 7.1 7.2 5.2 1.8 1.1 1.4
0
1.6 1.3 1.3 1.7 1.4 1.1 1.3 2.0 1.9 1.9 1.9 1.9 1.8 1.9 2.0 1.9 2.4 1.9 1.7 2.2 1.8 1.5 4.0 5.6
[2] 2hz4.b 7.2 6.3 7.0 7.1 7.2 7.2 7.2 7.2 3.5 7.1 7.2 7.2 7.3 5.1 1.5 1.3 1.0 1.6
0
1.2 0.9 1.2 1.0 1.3 1.0 1.6 1.9 1.8 1.9 1.7 1.7 1.5 1.7 1.9 1.8 1.6 1.5 1.6 1.6 1.7 3.2 5.2
[2] 2hz4.c 7.0 6.2 7.0 7.0 7.1 7.0 7.1 7.1 3.4 7.0 7.1 7.1 7.1 5.1 1.4 0.8 1.0 1.3 1.2
0
0.8 1.1 0.9 0.8 0.8 1.6 1.8 1.7 1.8 1.6 1.6 1.5 1.7 1.8 1.9 1.7 1.5 1.6 1.5 1.6 3.4 5.2
[2] 2qoh.a 7.0 6.1 6.9 7.1 7.0 7.0 7.0 6.9 3.5 7.0 7.0 7.0 7.1 5.1 1.2 0.9 1.2 1.3 0.9 0.8
0
1.8 0.4 1.0 0.6 1.5 1.6 1.5 1.6 1.5 1.5 1.3 1.5 1.6 2.3 1.6 1.4 2.2 1.5 1.6 3.8 5.3
[2] 2v7a.a 7.2 6.3 7.0 7.1 7.2 7.2 7.2 7.2 3.9 7.1 7.2 7.2 7.2 5.4 2.4 1.7 1.2 1.7 1.2 1.1 1.8
0
1.9 2.0 2.0 2.1 2.3 2.2 2.3 2.3 2.1 2.2 2.3 2.4 2.0 1.6 1.6 1.6 1.5 1.4 3.6 5.4
[2] 2z60.a 7.1 6.2 7.0 7.2 7.0 7.1 7.1 7.0 3.5 7.0 7.1 7.1 7.2 5.2 1.3 0.9 1.3 1.4 1.0 0.9 0.4 1.9
0
0.9 0.6 1.5 1.7 1.6 1.7 1.5 1.5 1.3 1.5 1.7 2.4 1.5 1.4 2.3 1.5 1.6 3.9 5.4
[2] 3kf4.a 7.2 6.3 7.1 7.3 7.2 7.2 7.2 7.1 3.5 7.1 7.2 7.1 7.2 5.3 1.4 0.7 1.5 1.1 1.3 0.8 1.0 2.0 0.9
0
0.8 1.7 1.8 1.7 1.8 1.7 1.6 1.6 1.6 1.6 2.6 1.6 1.5 2.4 1.4 1.4 4.3 5.6
[2] 4twp.a 7.1 6.1 7.0 7.2 7.0 7.0 7.0 7.0 3.4 7.0 7.0 7.0 7.1 5.1 1.2 0.8 1.4 1.3 1.0 0.8 0.6 2.0 0.6 0.8
0
1.5 1.6 1.5 1.6 1.5 1.4 1.3 1.4 1.6 2.4 1.5 1.3 2.3 1.4 1.5 4.1 5.4
[3] 1m52.a 7.5 6.5 7.3 7.5 7.5 7.4 7.4 7.4 3.7 7.3 7.4 7.4 7.4 5.5 1.5 1.6 1.8 2.0 1.6 1.6 1.5 2.1 1.5 1.7 1.5
0
1.2 1.2 1.2 1.2 1.1 0.8 0.8 1.4 1.9 0.8 0.7 1.8 0.8 1.1 4.2 5.4
[3] 1opk.a 7.4 6.5 7.3 7.5 7.4 7.3 7.3 7.4 3.7 7.3 7.3 7.3 7.4 5.5 1.6 1.7 2.0 1.9 1.9 1.8 1.6 2.3 1.7 1.8 1.6 1.2
0
0.8 0.4 0.8 0.7 1.3 1.5 1.1 1.7 1.5 1.1 2.1 1.5 1.5 4.3 5.5
[3] 2g2h.a 7.3 6.3 7.1 7.3 7.2 7.2 7.2 7.2 3.6 7.2 7.2 7.2 7.2 5.3 1.5 1.6 1.9 1.9 1.8 1.7 1.5 2.2 1.6 1.7 1.5 1.2 0.8
0
0.8 0.8 0.6 1.4 1.5 0.9 1.6 1.4 1.2 2.0 1.3 1.5 4.2 5.3
[3] 2hzi.a 7.4 6.4 7.2 7.4 7.3 7.3 7.3 7.3 3.7 7.2 7.2 7.3 7.3 5.5 1.6 1.7 2.0 1.9 1.9 1.8 1.6 2.3 1.7 1.8 1.6 1.2 0.4 0.8
0
0.7 0.7 1.3 1.5 1.2 1.6 1.5 1.1 2.1 1.5 1.5 4.2 5.4
[3] 3dk3.a 7.2 6.3 7.1 7.3 7.2 7.1 7.2 7.1 3.6 7.1 7.1 7.1 7.2 5.4 1.4 1.6 2.0 1.9 1.7 1.6 1.5 2.3 1.5 1.7 1.5 1.2 0.8 0.8 0.7
0
0.5 1.0 1.3 1.1 1.8 1.5 1.2 2.1 1.4 1.5 4.2 5.3
[3] 3dk6.a 7.4 6.5 7.3 7.5 7.4 7.3 7.4 7.3 3.7 7.3 7.3 7.3 7.4 5.5 1.4 1.5 1.7 1.8 1.7 1.6 1.5 2.1 1.5 1.6 1.4 1.1 0.7 0.6 0.7 0.5
0
1.0 1.3 0.8 1.6 1.3 1.0 1.9 1.3 1.3 4.2 5.4
[3] 3dk7.b 7.4 6.4 7.3 7.5 7.4 7.3 7.3 7.4 3.6 7.3 7.3 7.4 7.4 5.4 1.3 1.5 1.9 1.9 1.5 1.5 1.3 2.2 1.3 1.6 1.3 0.8 1.3 1.4 1.3 1.0 1.0
0
0.8 1.4 2.1 0.9 0.5 1.9 0.9 1.1 4.2 5.4
[3] 4wa9.b 7.3 6.3 7.2 7.4 7.3 7.2 7.3 7.3 3.5 7.2 7.2 7.3 7.3 5.3 1.1 1.6 1.9 2.0 1.7 1.7 1.5 2.3 1.5 1.6 1.4 0.8 1.5 1.5 1.5 1.3 1.3 0.8
0
1.6 2.3 1.0 0.9 2.1 0.9 1.2 4.2 5.5
[3] 4zog.a 7.4 6.5 7.3 7.5 7.4 7.4 7.4 7.4 3.8 7.3 7.4 7.4 7.4 5.5 1.7 1.6 2.1 1.9 1.9 1.8 1.6 2.4 1.7 1.6 1.6 1.4 1.1 0.9 1.2 1.1 0.8 1.4 1.6
0
1.9 1.5 1.2 2.3 1.5 1.4 4.5 5.5
[4] 2g2f.a 7.6 6.6 7.4 7.4 7.5 7.5 7.4 7.5 4.2 7.4 7.4 7.5 7.5 5.7 2.5 2.4 1.8 2.4 1.8 1.9 2.3 2.0 2.4 2.6 2.4 1.9 1.7 1.6 1.6 1.8 1.6 2.1 2.3 1.9
0
1.3 1.1 1.4 1.4 1.4 3.9 5.1
[4] 2g2f.b 7.7 6.7 7.6 7.6 7.8 7.7 7.7 7.7 3.9 7.7 7.7 7.8 7.8 5.7 1.4 1.6 1.6 1.9 1.6 1.7 1.6 1.6 1.5 1.6 1.5 0.8 1.5 1.4 1.5 1.5 1.3 0.9 1.0 1.5 1.3
0
0.7 0.8 0.7 1.0 3.9 5.5
[4] 3dk6.b 7.9 6.8 7.8 7.8 7.9 7.9 7.9 7.8 3.9 7.8 7.9 7.9 8.0 5.8 1.3 1.5 1.6 1.7 1.5 1.5 1.4 1.6 1.4 1.5 1.3 0.7 1.1 1.2 1.1 1.2 1.0 0.5 0.9 1.2 1.1 0.7
0
0.9 0.8 0.9 4.0 5.5
[4] 3ue4.a 7.7 6.7 7.6 7.5 7.7 7.6 7.6 7.7 4.2 7.5 7.6 7.7 7.7 5.8 2.5 2.1 1.6 2.2 1.6 1.6 2.2 1.6 2.3 2.4 2.3 1.8 2.1 2.0 2.1 2.1 1.9 1.9 2.1 2.3 1.4 0.8 0.9
0
0.8 0.7 4.0 5.5
[4] 4xey.b 7.7 6.7 7.5 7.6 7.7 7.6 7.6 7.7 3.8 7.6 7.7 7.7 7.8 5.6 1.3 1.5 1.6 1.8 1.6 1.5 1.5 1.5 1.5 1.4 1.4 0.8 1.5 1.3 1.5 1.4 1.3 0.9 0.9 1.5 1.4 0.7 0.8 0.8
0
1.0 3.8 5.5
[4] 4yc8.a 7.8 6.8 7.7 7.8 7.8 7.8 7.8 7.8 4.0 7.8 7.8 7.8 7.9 5.8 1.5 1.4 1.6 1.5 1.7 1.6 1.6 1.4 1.6 1.4 1.5 1.1 1.5 1.5 1.5 1.5 1.3 1.1 1.2 1.4 1.4 1.0 0.9 0.7 1.0
0
4.1 5.6
[5] 2hz0.a 6.2 5.8 6.1 6.0 6.3 6.3 6.2 6.3 3.7 6.2 6.5 6.6 6.6 4.2 2.8 4.0 3.3 4.0 3.2 3.4 3.8 3.6 3.9 4.3 4.1 4.2 4.3 4.2 4.2 4.2 4.2 4.2 4.2 4.5 3.9 3.9 4.0 4.0 3.8 4.1
0
4.8
[6] 2g1t.a 5.8 5.4 5.7 5.5 5.7 5.6 5.5 5.5 4.2 5.6 5.6 5.6 5.7 5.2 3.4 5.5 5.2 5.6 5.2 5.2 5.3 5.4 5.4 5.6 5.4 5.4 5.5 5.3 5.4 5.3 5.4 5.4 5.5 5.5 5.1 5.5 5.5 5.5 5.5 5.6 4.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 3.1 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1fpu.a
2e2b.a
2hiw.a
2hzn.a
3cs9.a
3ik3.b
3kfa.a
3mss.b
3oxz.a
3oy3.a
3qri.a
3qrj.a
3qrk.a
5hu9.a
5mo4.a
2f4j.a
2g2i.b
2gqg.a
2hz4.b
2hz4.c
2qoh.a
2v7a.a
2z60.a
3kf4.a
4twp.a
1m52.a
1opk.a
2g2h.a
2hzi.a
3dk3.a
3dk6.a
3dk7.b
4wa9.b
4zog.a
2g2f.a
2g2f.b
3dk6.b
3ue4.a
4xey.b
4yc8.a
2hz0.a
2g1t.a
[1] 1fpu.a
0
1.4 0.7 1.6 1.5 1.7 1.9 1.4 2.1 1.8 2.1 2.1 2.1 3.3 1.7 6.7 6.8 6.7 6.7 6.7 6.6 7.0 6.7 6.8 6.6 7.1 7.0 7.0 7.0 6.8 7.0 7.2 7.0 7.2 7.4 7.4 7.5 7.4 7.4 7.6 6.7 6.4
[1] 2e2b.a 1.4
0
1.5 1.5 1.2 1.2 1.6 0.8 1.6 1.4 1.8 1.9 1.9 3.0 1.2 6.3 6.4 6.4 6.4 6.3 6.3 6.7 6.4 6.4 6.2 6.6 6.6 6.5 6.5 6.3 6.5 6.7 6.5 6.7 7.0 6.9 7.0 6.9 6.9 7.2 6.4 6.3
[1] 2hiw.a 0.7 1.5
0
1.7 1.6 1.7 2.0 1.5 2.1 1.9 2.2 2.2 2.1 3.7 1.8 7.1 7.1 7.2 7.1 7.1 7.1 7.4 7.2 7.2 7.1 7.5 7.5 7.4 7.5 7.3 7.5 7.7 7.4 7.7 7.8 7.8 8.0 7.7 7.8 8.1 6.8 6.6
[1] 2hzn.a 1.6 1.5 1.7
0
1.5 1.4 1.3 1.5 1.8 1.6 2.0 2.1 2.1 3.7 1.5 7.3 7.2 7.4 7.3 7.2 7.3 7.4 7.5 7.5 7.4 7.8 7.8 7.7 7.8 7.7 7.8 8.1 7.8 8.0 7.8 8.0 8.2 7.9 7.9 8.3 6.3 6.4
[1] 3cs9.a 1.5 1.2 1.6 1.5
0
1.3 1.6 1.1 1.8 1.5 1.6 1.8 1.7 3.6 1.2 7.0 7.1 7.1 7.2 7.1 7.0 7.4 7.1 7.2 7.0 7.5 7.5 7.4 7.5 7.3 7.5 7.7 7.4 7.7 7.8 7.8 8.0 7.8 7.8 8.1 6.9 6.6
[1] 3ik3.b 1.7 1.2 1.7 1.4 1.3
0
1.4 1.1 1.6 1.0 1.7 1.7 1.7 3.7 1.1 7.0 7.2 7.2 7.2 7.1 7.1 7.4 7.2 7.2 7.1 7.5 7.5 7.4 7.5 7.4 7.6 7.7 7.5 7.7 7.8 7.8 8.1 7.8 7.8 8.2 6.9 6.6
[1] 3kfa.a 1.9 1.6 2.0 1.3 1.6 1.4
0
1.6 1.8 1.3 1.7 1.8 1.8 3.8 1.4 7.1 7.3 7.3 7.3 7.2 7.2 7.5 7.3 7.3 7.2 7.7 7.7 7.6 7.7 7.5 7.7 7.9 7.7 7.8 7.9 8.0 8.2 7.9 8.0 8.3 6.8 6.5
[1] 3mss.b 1.4 0.8 1.5 1.5 1.1 1.1 1.6
0
1.8 1.4 1.7 1.7 1.8 3.6 1.2 7.0 7.1 7.1 7.1 7.1 7.0 7.4 7.1 7.1 7.0 7.5 7.5 7.3 7.4 7.2 7.5 7.7 7.4 7.6 7.7 7.8 8.0 7.7 7.8 8.1 6.9 6.3
[1] 3oxz.a 2.1 1.6 2.1 1.8 1.8 1.6 1.8 1.8
0
1.8 2.2 2.2 2.3 2.4 1.3 3.3 3.4 3.6 3.6 3.5 3.4 4.3 3.5 3.4 3.4 3.6 3.6 3.6 3.6 3.5 3.5 3.6 3.5 3.9 4.5 3.8 3.6 4.0 3.8 4.0 4.2 4.8
[1] 3oy3.a 1.8 1.4 1.9 1.6 1.5 1.0 1.3 1.4 1.8
0
1.6 1.6 1.6 3.7 1.4 6.9 7.0 7.1 7.1 7.0 7.0 7.3 7.1 7.1 7.0 7.4 7.5 7.4 7.4 7.3 7.5 7.6 7.4 7.6 7.7 7.7 8.0 7.6 7.7 8.0 6.7 6.4
[1] 3qri.a 2.1 1.8 2.2 2.0 1.6 1.7 1.7 1.7 2.2 1.6
0
1.0 0.9 4.0 1.4 7.0 7.1 7.2 7.3 7.2 7.1 7.4 7.3 7.2 7.2 7.5 7.5 7.4 7.5 7.3 7.6 7.8 7.4 7.7 7.7 7.8 8.0 7.7 7.9 8.1 7.0 6.5
[1] 3qrj.a 2.1 1.9 2.2 2.1 1.8 1.7 1.8 1.7 2.2 1.6 1.0
0
1.1 3.9 1.5 7.0 7.2 7.2 7.3 7.2 7.1 7.5 7.2 7.2 7.1 7.6 7.5 7.4 7.5 7.3 7.6 7.8 7.5 7.7 7.7 7.9 8.0 7.8 7.9 8.2 7.1 6.5
[1] 3qrk.a 2.1 1.9 2.1 2.1 1.7 1.7 1.8 1.8 2.3 1.6 0.9 1.1
0
4.0 1.5 7.1 7.2 7.3 7.3 7.3 7.2 7.5 7.3 7.3 7.2 7.6 7.6 7.5 7.6 7.4 7.6 7.9 7.5 7.8 7.8 7.9 8.1 7.8 8.0 8.2 7.1 6.6
[1] 5hu9.a 3.3 3.0 3.7 3.7 3.6 3.7 3.8 3.6 2.4 3.7 4.0 3.9 4.0
0
1.5 5.3 5.2 5.4 5.3 5.2 5.2 5.8 5.3 5.3 5.2 5.6 5.6 5.5 5.6 5.5 5.6 5.6 5.6 5.7 6.1 5.8 5.8 5.9 5.7 5.9 4.7 5.6
[1] 5mo4.a 1.7 1.2 1.8 1.5 1.2 1.1 1.4 1.2 1.3 1.4 1.4 1.5 1.5 1.5
0
2.1 2.2 2.4 2.1 2.0 1.9 3.3 1.9 2.1 1.9 2.0 2.0 2.3 2.1 2.0 1.9 1.7 1.9 2.4 3.4 2.1 1.9 2.5 2.4 2.3 3.6 4.2
[2] 2f4j.a 6.7 6.3 7.1 7.3 7.0 7.0 7.1 7.0 3.3 6.9 7.0 7.0 7.1 5.3 2.1
0
1.6 1.6 1.5 1.3 1.4 2.5 1.4 1.1 1.5 2.5 2.7 2.9 2.8 2.6 2.5 2.3 2.8 2.9 3.5 2.6 2.5 2.8 2.8 2.6 4.8 6.0
[2] 2g2i.b 6.8 6.4 7.1 7.2 7.1 7.2 7.3 7.1 3.4 7.0 7.1 7.2 7.2 5.2 2.2 1.6
0
1.7 1.6 1.6 1.6 1.7 1.6 1.6 1.6 2.7 2.8 2.9 2.9 2.8 2.5 2.6 3.0 2.9 2.8 2.7 2.5 2.7 2.9 2.7 3.9 5.5
[2] 2gqg.a 6.7 6.4 7.2 7.4 7.1 7.2 7.3 7.1 3.6 7.1 7.2 7.2 7.3 5.4 2.4 1.6 1.7
0
2.0 1.8 1.8 2.4 1.9 1.6 1.8 2.9 2.7 2.8 2.7 2.8 2.6 2.7 3.1 2.8 3.3 2.9 2.6 2.9 2.9 2.6 4.8 6.0
[2] 2hz4.b 6.7 6.4 7.1 7.3 7.2 7.2 7.3 7.1 3.6 7.1 7.3 7.3 7.3 5.3 2.1 1.5 1.6 2.0
0
1.4 1.4 1.8 1.5 1.6 1.4 2.7 2.9 3.0 3.0 2.8 2.7 2.5 2.8 3.0 3.0 2.7 2.5 2.7 2.9 2.9 3.7 5.6
[2] 2hz4.c 6.7 6.3 7.1 7.2 7.1 7.1 7.2 7.1 3.5 7.0 7.2 7.2 7.3 5.2 2.0 1.3 1.6 1.8 1.4
0
1.5 1.6 1.6 1.2 1.3 2.7 2.8 3.0 2.9 2.8 2.6 2.6 2.9 3.0 3.0 2.9 2.6 2.8 2.9 2.8 3.9 5.7
[2] 2qoh.a 6.6 6.3 7.1 7.3 7.0 7.1 7.2 7.0 3.4 7.0 7.1 7.1 7.2 5.2 1.9 1.4 1.6 1.8 1.4 1.5
0
2.7 0.7 1.3 1.2 2.6 2.5 2.6 2.6 2.5 2.4 2.2 2.7 2.7 3.3 2.8 2.4 3.0 2.9 2.8 4.6 5.7
[2] 2v7a.a 7.0 6.7 7.4 7.4 7.4 7.4 7.5 7.4 4.3 7.3 7.4 7.5 7.5 5.8 3.3 2.5 1.7 2.4 1.8 1.6 2.7
0
2.6 2.8 2.8 3.3 3.5 3.6 3.6 3.5 3.0 3.3 3.7 3.7 3.2 2.8 2.6 2.6 3.0 2.7 4.1 6.1
[2] 2z60.a 6.7 6.4 7.2 7.5 7.1 7.2 7.3 7.1 3.5 7.1 7.3 7.2 7.3 5.3 1.9 1.4 1.6 1.9 1.5 1.6 0.7 2.6
0
1.4 1.2 2.6 2.6 2.7 2.7 2.6 2.5 2.2 2.7 2.8 3.4 2.8 2.4 3.0 3.0 2.9 4.6 5.9
[2] 3kf4.a 6.8 6.4 7.2 7.5 7.2 7.2 7.3 7.1 3.4 7.1 7.2 7.2 7.3 5.3 2.1 1.1 1.6 1.6 1.6 1.2 1.3 2.8 1.4
0
1.1 2.6 2.6 2.7 2.6 2.6 2.4 2.4 2.7 2.7 3.7 2.7 2.5 2.9 2.7 2.6 5.1 6.0
[2] 4twp.a 6.6 6.2 7.1 7.4 7.0 7.1 7.2 7.0 3.4 7.0 7.2 7.1 7.2 5.2 1.9 1.5 1.6 1.8 1.4 1.3 1.2 2.8 1.2 1.1
0
2.5 2.5 2.6 2.6 2.5 2.4 2.2 2.6 2.7 3.5 2.7 2.4 3.0 2.9 2.7 4.8 5.9
[3] 1m52.a 7.1 6.6 7.5 7.8 7.5 7.5 7.7 7.5 3.6 7.4 7.5 7.6 7.6 5.6 2.0 2.5 2.7 2.9 2.7 2.7 2.6 3.3 2.6 2.6 2.5
0
1.8 1.9 1.9 1.8 1.6 1.0 1.4 2.2 2.7 1.1 1.1 1.8 1.6 1.7 5.1 6.1
[3] 1opk.a 7.0 6.6 7.5 7.8 7.5 7.5 7.7 7.5 3.6 7.5 7.5 7.5 7.6 5.6 2.0 2.7 2.8 2.7 2.9 2.8 2.5 3.5 2.6 2.6 2.5 1.8
0
1.6 1.1 1.3 1.3 1.8 2.2 1.8 2.5 2.1 1.4 2.5 2.3 2.2 5.3 6.1
[3] 2g2h.a 7.0 6.5 7.4 7.7 7.4 7.4 7.6 7.3 3.6 7.4 7.4 7.4 7.5 5.5 2.3 2.9 2.9 2.8 3.0 3.0 2.6 3.6 2.7 2.7 2.6 1.9 1.6
0
1.6 1.4 1.3 1.8 2.2 1.3 2.1 2.1 1.6 2.5 2.0 1.9 5.4 5.8
[3] 2hzi.a 7.0 6.5 7.5 7.8 7.5 7.5 7.7 7.4 3.6 7.4 7.5 7.5 7.6 5.6 2.1 2.8 2.9 2.7 3.0 2.9 2.6 3.6 2.7 2.6 2.6 1.9 1.1 1.6
0
1.4 1.3 2.0 2.2 1.9 2.5 2.1 1.6 2.4 2.3 2.2 5.3 6.1
[3] 3dk3.a 6.8 6.3 7.3 7.7 7.3 7.4 7.5 7.2 3.5 7.3 7.3 7.3 7.4 5.5 2.0 2.6 2.8 2.8 2.8 2.8 2.5 3.5 2.6 2.6 2.5 1.8 1.3 1.4 1.4
0
0.9 1.4 1.9 1.7 2.5 2.0 1.4 2.4 2.2 2.1 5.2 6.0
[3] 3dk6.a 7.0 6.5 7.5 7.8 7.5 7.6 7.7 7.5 3.5 7.5 7.6 7.6 7.6 5.6 1.9 2.5 2.5 2.6 2.7 2.6 2.4 3.0 2.5 2.4 2.4 1.6 1.3 1.3 1.3 0.9
0
1.5 2.0 1.4 1.7 1.9 1.4 2.1 2.1 1.8 4.7 5.8
[3] 3dk7.b 7.2 6.7 7.7 8.1 7.7 7.7 7.9 7.7 3.6 7.6 7.8 7.8 7.9 5.6 1.7 2.3 2.6 2.7 2.5 2.6 2.2 3.3 2.2 2.4 2.2 1.0 1.8 1.8 2.0 1.4 1.5
0
1.2 1.9 2.8 1.2 0.7 1.9 1.5 1.5 5.2 6.0
[3] 4wa9.b 7.0 6.5 7.4 7.8 7.4 7.5 7.7 7.4 3.5 7.4 7.4 7.5 7.5 5.6 1.9 2.8 3.0 3.1 2.8 2.9 2.7 3.7 2.7 2.7 2.6 1.4 2.2 2.2 2.2 1.9 2.0 1.2
0
2.3 3.2 1.4 1.4 2.1 1.8 2.0 5.3 6.2
[3] 4zog.a 7.2 6.7 7.7 8.0 7.7 7.7 7.8 7.6 3.9 7.6 7.7 7.7 7.8 5.7 2.4 2.9 2.9 2.8 3.0 3.0 2.7 3.7 2.8 2.7 2.7 2.2 1.8 1.3 1.9 1.7 1.4 1.9 2.3
0
2.4 2.3 1.7 2.6 2.2 1.9 5.5 6.0
[4] 2g2f.a 7.4 7.0 7.8 7.8 7.8 7.8 7.9 7.7 4.5 7.7 7.7 7.7 7.8 6.1 3.4 3.5 2.8 3.3 3.0 3.0 3.3 3.2 3.4 3.7 3.5 2.7 2.5 2.1 2.5 2.5 1.7 2.8 3.2 2.4
0
2.0 1.6 2.2 2.0 2.0 4.7 5.5
[4] 2g2f.b 7.4 6.9 7.8 8.0 7.8 7.8 8.0 7.8 3.8 7.7 7.8 7.9 7.9 5.8 2.1 2.6 2.7 2.9 2.7 2.9 2.8 2.8 2.8 2.7 2.7 1.1 2.1 2.1 2.1 2.0 1.9 1.2 1.4 2.3 2.0
0
1.3 1.3 1.5 1.7 4.7 6.0
[4] 3dk6.b 7.5 7.0 8.0 8.2 8.0 8.1 8.2 8.0 3.6 8.0 8.0 8.0 8.1 5.8 1.9 2.5 2.5 2.6 2.5 2.6 2.4 2.6 2.4 2.5 2.4 1.1 1.4 1.6 1.6 1.4 1.4 0.7 1.4 1.7 1.6 1.3
0
1.2 1.4 1.4 4.6 5.8
[4] 3ue4.a 7.4 6.9 7.7 7.9 7.8 7.8 7.9 7.7 4.0 7.6 7.7 7.8 7.8 5.9 2.5 2.8 2.7 2.9 2.7 2.8 3.0 2.6 3.0 2.9 3.0 1.8 2.5 2.5 2.4 2.4 2.1 1.9 2.1 2.6 2.2 1.3 1.2
0
1.5 1.4 4.7 6.1
[4] 4xey.b 7.4 6.9 7.8 7.9 7.8 7.8 8.0 7.8 3.8 7.7 7.9 7.9 8.0 5.7 2.4 2.8 2.9 2.9 2.9 2.9 2.9 3.0 3.0 2.7 2.9 1.6 2.3 2.0 2.3 2.2 2.1 1.5 1.8 2.2 2.0 1.5 1.4 1.5
0
1.5 4.7 6.0
[4] 4yc8.a 7.6 7.2 8.1 8.3 8.1 8.2 8.3 8.1 4.0 8.0 8.1 8.2 8.2 5.9 2.3 2.6 2.7 2.6 2.9 2.8 2.8 2.7 2.9 2.6 2.7 1.7 2.2 1.9 2.2 2.1 1.8 1.5 2.0 1.9 2.0 1.7 1.4 1.4 1.5
0
4.9 6.0
[5] 2hz0.a 6.7 6.4 6.8 6.3 6.9 6.9 6.8 6.9 4.2 6.7 7.0 7.1 7.1 4.7 3.6 4.8 3.9 4.8 3.7 3.9 4.6 4.1 4.6 5.1 4.8 5.1 5.3 5.4 5.3 5.2 4.7 5.2 5.3 5.5 4.7 4.7 4.6 4.7 4.7 4.9
0
5.5
[6] 2g1t.a 6.4 6.3 6.6 6.4 6.6 6.6 6.5 6.3 4.8 6.4 6.5 6.5 6.6 5.6 4.2 6.0 5.5 6.0 5.6 5.7 5.7 6.1 5.9 6.0 5.9 6.1 6.1 5.8 6.1 6.0 5.8 6.0 6.2 6.0 5.5 6.0 5.8 6.1 6.0 6.0 5.5
0
[Binding site full-atom RMSD matrix]







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