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CHK2_HUMAN_210_526

Serine/threonine-protein kinase Chk2 [Protein kinase superfamily. CAMK Ser/Thr protein kinase family. CHK2 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CHK2_HUMAN):D: Protein kinase (224, 226:234, 245, 247, 249, 251, 273, 274, 277, 286, 288, 299, 301:308, 311, 351, 352, 354, 358, 367, 368, 370:372, 375)
R: T-loop/activation segment (368, 370:372, 375)
224, 226:234, 245, 247, 249, 251, 273, 274, 277, 286, 288, 299, 301:308, 311, 351, 352, 354, 358, 367, 368, 370:372, 375

Full PDB list

2cn5, 2cn8, 2w0j, 2w7x, 2wtc, 2wtd, 2wti, 2wtj, 2xbj, 2xk9, 2xm8, 2xm9, 2ycf, 2ycq, 2ycr, 2ycs, 2yiq, 2yir, 2yit, 3i6u, 3i6w, 4a9r, 4a9s, 4a9t, 4a9u, 4bda, 4bdb, 4bdc, 4bdd, 4bde, 4bdf, 4bdg, 4bdh, 4bdi, 4bdj, 4bdk (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
K
2
2
4
L
2
2
6
G
2
2
7
S
2
2
8
G
2
2
9
C
2
3
1
G
2
3
2
V
2
3
4
K
2
4
5
A
2
4
7
K
2
4
9
I
2
5
1
E
2
7
3
L
2
7
7
I
2
8
6
I
2
8
8
I
2
9
9
L
3
0
1
E
3
0
2
L
3
0
3
M
3
0
4
E
3
0
5
G
3
0
6
G
3
0
7
E
3
0
8
E
3
5
1
N
3
5
2
L
3
5
4
Q
3
5
8
T
3
6
7
D
3
6
8
G
3
7
0
[1]2cn5.a adp,mg,mg29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2cn8.a dbq18 . . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2w0j.a zat30 . . . . - - . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2w7x.a d1a28 . . . . . - . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2wtc.a vgm25 . . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2wtd.a zzk25 . . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2wti.a wti25 . . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2wtj.a wtj24 . . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2xbj.a mg,xbj33 . . . . . - . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2xk9.a xk929 . . . . . - . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2xm8.a b4w23 . . - - - - . . . . . - . . . . . . . . . . . . . . . . . . . .
[1]2xm9.a lwh28 . . . . - - . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ycf.a ycf32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ycq.a upx30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ycr.a hcw34 . . . . - - . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ycs.a nxp25 . . . . - - . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2yiq.a yiq28 . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2yir.a yir30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2yit.a yit29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3i6u.a none . . . . . . . . . . R . . . . . . . . . . . . . . . . . . . . .
[1]4a9r.a ru526 . . - - - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4a9s.a ru926 . . - - - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4a9t.a a9t26 . . . . - - . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4a9u.a a9u26 . . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4bda.a vfb12 . . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4bdb.a odo12 . . - - - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4bdc.a odh19 . . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4bdd.a z0o18 . . - - - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4bde.a cws12 . . - - - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4bdf.a h3r12 . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4bdg.a p3j12 . . . . . - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4bdh.a wvi12 . . - - - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4bdi.a hau19 . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4bdj.a z2m17 . . . - - - - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4bdk.a rqq22 . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . . .

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
A1
K
2
2
4
L
2
2
6
G
2
2
7
S
2
2
8
G
2
2
9
A
2
3
0
C
2
3
1
G
2
3
2
E
2
3
3
V
2
3
4
K
2
4
5
A
2
4
7
K
2
4
9
I
2
5
1
E
2
7
3
I
2
7
4
L
2
7
7
I
2
8
6
I
2
8
8
I
2
9
9
L
3
0
1
E
3
0
2
L
3
0
3
M
3
0
4
E
3
0
5
G
3
0
6
G
3
0
7
E
3
0
8
D
3
1
1
E
3
5
1
N
3
5
2
L
3
5
4
Q
3
5
8
T
3
6
7
D
3
6
8
G
3
7
0
H
3
7
1
S
3
7
2
L
3
7
5
[1]2cn5.a . . . * . . * . . . . . * . . . . . . . * * . . . . . . . . . . . . . . . . .
[1]2cn8.a . . . . - - - - . . . . . . . . . . . . * * . . . . . * . . . . . . . . . . .
[1]2w0j.a . . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2w7x.a . * . . . . - . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . .
[1]2wtc.a . . . . - - - - . . . . * . . . . . . . . * . . . . . . . . . . . . . . . . .
[1]2wtd.a . . . . - - - - . . . . * . . . . . . . . * . . . . . . . . . . . . . . . . .
[1]2wti.a . . . . - - - - . . . . * . . . . . . . * * . . . . . * . . . . . . . . . . .
[1]2wtj.a . . . . - - - - . . . . * . . . . . . . * * . . . . . * . . . . . . * . . . .
[1]2xbj.a . . . . . . - . . . . . * . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2xk9.a . . . . . . - . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . .
[1]2xm8.a . . - - - - - . . . . . . - . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2xm9.a . . . * - - - . . . . . * . . . . . . . . . . . . . . . . . . . . . * . . . .
[1]2ycf.a . . . . . . . . . . . . . . . . . . . . * * . . . . . . . . . . . . . . . . .
[1]2ycq.a . * . . . . . . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . .
[1]2ycr.a . . . . - - - . . . . . . . . . . . . . . . . . . . . * . . . . . . . . . . .
[1]2ycs.a . . . . - - - . . . . . . . . . . . . . . . . . * . . * . . . . . . . . . . .
[1]2yiq.a . . . - - - - . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . .
[1]2yir.a . * . . . . . . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . .
[1]2yit.a . . . . . . . . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . .
[1]3i6u.a . . . . . . . . . . . . R . . . . . . . . * . . . . . * . . . . . . * . * . .
[1]4a9r.a . . - - - - - - . . . . * . . . . . . . * * . . . . . * . . . . . . . . . . .
[1]4a9s.a . . - - - - - - . . . . * . . . . . . . * * . . . . . * . . . . . . . . . . .
[1]4a9t.a . . . . - - - . . . . . * . . . . . . . . * . . . . . * . . . . . . . . . . .
[1]4a9u.a . . . . - - - - . . . . * . . . . . . . * * . . . . . * . . . . . . . . . . .
[1]4bda.a . . . . - - - - . . . . * . . . . . . . * * . . . . . . . . . . . . * . . . .
[1]4bdb.a . . - - - - - - . . . . . . . . . . . . . * . . * . . . . . . . . . . . . . .
[1]4bdc.a . . . . - - - - . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . .
[1]4bdd.a . . - - - - - - . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . .
[1]4bde.a . . - - - - - - . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . .
[1]4bdf.a . . . - - - - . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . .
[1]4bdg.a . . . . . - - - . . . . . . . . . . . . . * . . . . . . . . . . . . * . . . .
[1]4bdh.a . . - - - - - - . . . . . . . . . . . . * * . . . . . . . . . . . . . . . . .
[1]4bdi.a . . . - - - - . . . . . . . . . . . . . * * . . . . . * . . . . . . . . . . .
[1]4bdj.a . . . - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4bdk.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
2cn5.a:adp,mg
2cn8.a:dbq
2w0j.a:zat
2w7x.a:d1a
2wtc.a:vgm
2wtd.a:zzk
2wti.a:wti
2wtj.a:wtj
2xbj.a:mg,xbj
2xk9.a:xk9
2xm8.a:b4w
2xm9.a:lwh
2ycf.a:ycf
2ycq.a:upx
2ycr.a:hcw
2ycs.a:nxp
2yiq.a:yiq
2yir.a:yir
2yit.a:yit
3i6u.a is apo
4a9r.a:ru5
4a9s.a:ru9
4a9t.a:a9t
4a9u.a:a9u
4bda.a:vfb
4bdb.a:odo
4bdc.a:odh
4bdd.a:z0o
4bde.a:cws
4bdf.a:h3r
4bdg.a:p3j
4bdh.a:wvi
4bdi.a:hau
4bdj.a:z2m
4bdk.a:rqq
[1] 2cn5.a
0.2
0 1.0 1.6 0.6 0.3 0.3 0.2 2.3 1.8 1.3 0.2 1.3 2.4 1.5 1.1 1.2 2.0 1.4 - 0.5 0.8 0.1 0.1 0 0 0.1 0 0.1 0.2 0.1 0.1 0.4 0.1 0.7
[1] 2cn8.a 2.2
0
1.0 1.4 0.5 0.4 0.3 0.2 0.7 1.4 1.4 0.6 0.9 1.3 0.9 1.3 1.1 2.3 1.3 - 0.3 0.4 0.1 0.3 0 0 0 0 0 0 0.1 0.1 0.2 0.5 0.4
[1] 2w0j.a 0.6 0.1
0.1
0.2 0 0 0 0 0.2 0.2 0.9 0.6 0.1 0.3 0.2 0 0.1 0.5 0.4 - 0.6 0.7 0 0 0 0 0 0 0 0 0 0 0.1 0.1 0.2
[1] 2w7x.a 1.3 0.2 0
0
0.1 0.1 0.1 0.2 1.1 0 1.7 1.4 0.1 0 0.1 0 0 0 0.2 - 0.4 0.7 0 0 0.1 0.4 0.2 0 0.1 0.1 0.4 0.1 0.1 0.4 0.4
[1] 2wtc.a 0.9 0 1.1 2.1
0.1
0 0.1 0.1 0.1 2.1 1.1 0.3 1.3 2.0 1.5 1.4 1.2 2.4 1.3 - 0.4 0.3 0 0.1 0 0 0 0 0.1 0.1 0 0 0 0.1 0.1
[1] 2wtd.a 0.9 0.2 1.5 1.9 0
0
0 0 0.2 1.8 1.0 0.4 1.4 1.9 1.4 1.3 1.1 2.2 1.6 - 0.5 0.2 0.1 0.1 0 0 0 0 0 0 0 0 0 0.2 0.1
[1] 2wti.a 1.4 0 1.5 1.8 0.2 0
0
0 0.4 1.7 1.1 0.5 1.4 1.6 1.7 1.7 1.3 2.3 1.5 - 0.6 0.2 0.1 0.1 0 0 0 0 0 0 0 0 0 0.2 0
[1] 2wtj.a 2.1 0.4 2.1 2.4 1.3 0.9 1.1
0.1
0.5 2.4 1.3 1.0 2.3 2.6 2.0 2.1 2.4 3.0 2.6 - 1.9 1.0 1.1 0.9 0 0 0 0 0 0.1 0 0 0.1 0.5 0.1
[1] 2xbj.a 0.8 0.1 0.9 1.3 0.3 0.2 0.1 0.2
0
1.3 0.7 0 0.9 1.1 1.0 1.0 0.9 1.5 1.1 - 0.9 0.5 0 0.1 0 0.1 0.1 0 0.1 0.1 0.1 0.1 0.1 0.1 0.7
[1] 2xk9.a 1.4 0.1 0 0 0 0 0.1 0.2 0.9
0
1.2 1.1 0 0 0.3 0 0 0 0.1 - 0.7 0.7 0 0.1 0.1 0.4 0.2 0 0.1 0.1 0.3 0.1 0.1 0.3 0.3
[1] 2xm8.a 2.0 0.1 0.4 0.4 0.1 0.1 0.1 0.2 0.1 0.5
0
0.3 0.3 0.5 0.4 0.2 0.3 0.5 0.8 - 0.5 0 0.1 0.2 0 0 0 0 0 0 0 0 0 0 0.1
[1] 2xm9.a 1.5 0.4 1.5 2.4 1.0 0.6 0.6 0.2 1.8 2.4 0.8
0
1.9 2.4 1.9 1.7 2.0 2.7 1.9 - 1.9 0.7 0.5 0.5 0 0 0 0 0 0.1 0 0 0.1 0.1 0.5
[1] 2ycf.a 1.4 0.5 0.1 0.3 0.2 0.1 0.1 0.3 1.8 0.4 2.0 1.2
0.1
0.5 0.2 0 0 0.4 0.6 - 0.5 0.4 0 0.1 0.1 0.5 0.1 0.1 0.3 0.5 0.4 0.5 0.5 0.5 0.3
[1] 2ycq.a 1.1 0.3 0 0 0 0 0.1 0.1 0.9 0 1.2 1.1 0.1
0
0.1 0 0 0 0.1 - 0.4 0.7 0 0.1 0 0.2 0.1 0 0 0.1 0.1 0.1 0.1 0.2 0.3
[1] 2ycr.a 1.3 0.1 0 0.4 0 0 0 0 0.5 0.3 1.0 0.6 0 0.2
0.2
0 0.1 0.5 0.3 - 0.5 0.4 0 0 0 0.1 0.1 0 0 0.1 0 0.1 0.1 0.1 0.1
[1] 2ycs.a 1.2 0.1 0.2 0.4 0 0 0 0 0.4 0.3 1.0 0.6 0.1 0.4 0.3
0
0 0.5 0.1 - 1.3 0.8 0 0 0 0.1 0.3 0 0 0.1 0 0.1 0.1 0.1 0.4
[1] 2yiq.a 1.1 0 0.2 0.4 0 0 0 0.1 0.5 0.5 1.2 0.6 0.2 0.5 0.4 0.2
0.1
0.7 0.7 - 0.5 0.4 0 0 0 0 0 0 0 0 0 0.1 0.1 0.1 0.2
[1] 2yir.a 1.4 0.3 0 0 0.1 0.2 0.1 0.1 1.1 0 1.3 1.0 0.1 0 0.1 0 0
0
0.1 - 0.5 0.8 0 0 0.1 0.4 0.1 0 0.1 0.1 0.3 0.1 0.1 0.2 0.5
[1] 2yit.a 1.6 0.1 0.1 0.3 0 0 0 0.2 0.8 0.3 1.2 0.9 0 0.4 0.3 0 0 0.6
0
- 0.7 0.3 0 0 0 0.2 0 0 0 0.1 0.1 0.1 0.1 0.2 0.2
[1] 3i6u.a 2.1 0.1 1.3 2.1 0.5 0.4 0.4 0.2 0.6 2.5 1.6 0.9 1.9 2.8 2.4 1.7 1.6 2.4 3.2
-
1.4 0.7 0.3 0.4 0 0.1 0.2 0.1 0 0.2 0.1 0.2 0.1 0.2 0.7
[1] 4a9r.a 1.4 0 1.5 2.1 0.2 0.1 0.2 0 0.4 2.0 1.1 1.0 1.4 1.9 1.6 1.7 1.0 2.5 1.5 -
0.2
0.1 0 0 0 0 0 0 0 0 0 0 0 0.3 0.1
[1] 4a9s.a 1.4 0 1.4 2.0 0.5 0.1 0.1 0 0.8 2.1 1.2 1.1 1.2 2.1 1.6 1.5 1.2 2.6 1.7 - 0.3
0
0 0.1 0 0 0 0 0 0 0 0.1 0 0.5 0
[1] 4a9t.a 1.6 0.1 1.4 2.1 0.3 0.1 0.1 0 0.8 2.0 1.2 1.0 1.3 1.8 1.5 1.8 1.0 2.4 1.5 - 0.5 0.3
0
0.1 0 0 0 0 0 0 0 0.1 0.1 0.5 0.2
[1] 4a9u.a 1.8 0.1 1.4 1.8 0.5 0.1 0.1 0 1.0 2.0 1.2 1.5 1.3 2.2 1.6 1.7 1.2 2.4 1.9 - 0.6 0.3 0
0
0 0 0 0 0 0 0 0.1 0.1 0.5 0.1
[1] 4bda.a 1.5 0.2 1.8 1.9 1.0 0.9 0.7 0 0.4 2.0 1.1 0.6 1.7 1.9 1.7 1.5 2.0 2.7 1.4 - 1.6 1.1 0.7 0.9
0
0 0.1 0 0 0 0 0 0.2 0.2 0.2
[1] 4bdb.a 0.7 0 0.3 0.4 0 0 0 0 0.2 0.5 1.0 0.2 0.2 0.6 0.3 0.3 0.3 0.9 0.3 - 1.2 0.7 0 0.2 0
0
0.3 0 0 0.1 0 0 0 0.2 0.5
[1] 4bdc.a 0.7 0 0.5 0.5 0 0 0 0 0.2 0.5 1.0 0.4 0.2 0.6 0.4 0.3 0.3 1.1 0.3 - 0.4 0.2 0 0.1 0 0
0
0 0 0.1 0 0 0.1 0.1 0.1
[1] 4bdd.a 0.7 0 0.3 0.4 0 0 0 0 0.2 0.4 1.0 0.6 0.2 0.6 0.4 0.2 0.1 0.9 0.3 - 0.8 0.3 0 0.1 0 0 0
0
0 0.1 0 0 0.1 0.1 0.2
[1] 4bde.a 0.7 0.1 0.4 0.6 0.1 0.1 0 0 0.5 0.5 1.2 0.6 0.2 0.6 0.6 0.4 0.5 0.9 0.6 - 0.5 0.4 0 0 0 0 0 0
0
0 0.1 0 0.2 0.2 0.2
[1] 4bdf.a 0.8 0 0.1 0.6 0.1 0 0 0 0.3 0.6 1.0 0.5 0.1 0.6 0.3 0.2 0.2 1.0 0.5 - 0.6 0.4 0 0 0 0 0 0 0
0
0 0 0.1 0.2 0.1
[1] 4bdg.a 1.6 0.2 0.5 0.6 0.9 0.4 0.4 0 0.4 0.6 1.1 0.7 0.6 0.6 0.5 0.4 0.8 1.0 0.7 - 1.3 0.9 0.4 0.5 0 0 0.1 0 0 0.2
0
0.1 0.3 0.1 0.1
[1] 4bdh.a 0.7 0 0.5 0.5 0.1 0 0 0.1 0.1 0.5 1.1 0.4 0.3 0.8 0.7 0.4 0.3 1.3 0.4 - 0.7 0.6 0 0.1 0 0 0 0 0.1 0.1 0
0
0 0.2 0.2
[1] 4bdi.a 1.2 0 0.6 0.7 0 0 0 0.1 0.3 0.7 1.1 0.6 0.3 0.7 0.6 0.5 0.4 1.2 0.8 - 0.6 0.3 0 0.1 0 0 0 0 0 0.1 0 0
0
0.1 0
[1] 4bdj.a 0.6 0.1 0.2 0.6 0.1 0 0 0 0.1 0.6 0.9 0.2 0 0.7 0.2 0.2 0.1 1.1 0.2 - 0.5 0.3 0.1 0.1 0 0 0 0 0.1 0.1 0 0.1 0.2
0
0.2
[1] 4bdk.a 0.6 0 0.6 0.9 0 0 0.1 0 0.3 0.9 0.9 0.6 0.5 0.9 0.9 0.6 0.6 1.5 0.9 - 0.6 0.2 0 0 0 0 0 0 0 0 0 0 0 0
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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

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

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
2cn5.a
2cn8.a
2w0j.a
2w7x.a
2wtc.a
2wtd.a
2wti.a
2wtj.a
2xbj.a
2xk9.a
2xm8.a
2xm9.a
2ycf.a
2ycq.a
2ycr.a
2ycs.a
2yiq.a
2yir.a
2yit.a
3i6u.a
4a9r.a
4a9s.a
4a9t.a
4a9u.a
4bda.a
4bdb.a
4bdc.a
4bdd.a
4bde.a
4bdf.a
4bdg.a
4bdh.a
4bdi.a
4bdj.a
4bdk.a
[1] 2cn5.a
0
.14 .16 .20 .13 .14 .15 .18 .14 .19 .24 .16 .15 .19 .16 .19 .14 .19 .16 .28 .14 .15 .15 .16 .15 .17 .16 .17 .15 .16 .17 .16 .17 .15 .16
[1] 2cn8.a .14
0
.11 .13 .06 .07 .06 .09 .09 .10 .16 .16 .11 .12 .09 .11 .09 .14 .08 .20 .05 .06 .06 .05 .09 .11 .08 .10 .09 .08 .10 .09 .10 .10 .08
[1] 2w0j.a .16 .11
0
.07 .08 .08 .09 .12 .07 .05 .10 .16 .06 .07 .03 .05 .04 .08 .07 .18 .09 .10 .09 .10 .09 .06 .05 .04 .03 .04 .05 .06 .06 .05 .06
[1] 2w7x.a .20 .13 .07
0
.12 .13 .10 .14 .13 .04 .14 .21 .06 .02 .07 .09 .08 .03 .07 .21 .11 .11 .11 .11 .11 .11 .09 .09 .07 .09 .08 .11 .09 .09 .10
[1] 2wtc.a .13 .06 .08 .12
0
.01 .04 .06 .06 .11 .12 .12 .10 .12 .08 .10 .06 .14 .08 .18 .03 .04 .04 .04 .07 .08 .05 .07 .06 .05 .08 .06 .08 .06 .05
[1] 2wtd.a .14 .07 .08 .13 .01
0
.03 .07 .07 .11 .12 .11 .11 .12 .09 .10 .06 .14 .09 .19 .03 .04 .04 .05 .07 .07 .06 .07 .06 .05 .09 .07 .08 .07 .05
[1] 2wti.a .15 .06 .09 .10 .04 .03
0
.07 .09 .09 .13 .15 .11 .10 .08 .10 .08 .11 .07 .19 .03 .03 .04 .04 .06 .08 .06 .08 .07 .07 .08 .07 .07 .09 .06
[1] 2wtj.a .18 .09 .12 .14 .06 .07 .07
0
.13 .13 .16 .13 .13 .13 .11 .13 .11 .16 .11 .18 .05 .05 .06 .06 .06 .13 .11 .11 .11 .10 .08 .12 .11 .12 .09
[1] 2xbj.a .14 .09 .07 .13 .06 .07 .09 .13
0
.10 .12 .11 .11 .12 .08 .08 .06 .14 .08 .16 .09 .10 .10 .11 .09 .07 .07 .07 .07 .07 .10 .07 .08 .07 .08
[1] 2xk9.a .19 .10 .05 .04 .11 .11 .09 .13 .10
0
.12 .18 .08 .03 .05 .06 .07 .05 .05 .18 .09 .10 .10 .09 .09 .08 .08 .06 .06 .07 .07 .08 .07 .07 .08
[1] 2xm8.a .24 .16 .10 .14 .12 .12 .13 .16 .12 .12
0
.18 .15 .13 .11 .12 .13 .14 .12 .21 .14 .13 .14 .15 .14 .11 .10 .10 .11 .09 .12 .10 .10 .11 .09
[1] 2xm9.a .16 .16 .16 .21 .12 .11 .15 .13 .11 .18 .18
0
.20 .21 .16 .16 .16 .22 .16 .21 .14 .14 .15 .15 .13 .17 .16 .16 .17 .16 .16 .15 .18 .16 .15
[1] 2ycf.a .15 .11 .06 .06 .10 .11 .11 .13 .11 .08 .15 .20
0
.08 .06 .09 .06 .08 .08 .20 .10 .11 .10 .10 .10 .10 .07 .08 .07 .07 .07 .08 .07 .08 .08
[1] 2ycq.a .19 .12 .07 .02 .12 .12 .10 .13 .12 .03 .13 .21 .08
0
.06 .08 .08 .02 .06 .20 .10 .11 .11 .10 .11 .11 .08 .09 .07 .08 .08 .10 .08 .08 .09
[1] 2ycr.a .16 .09 .03 .07 .08 .09 .08 .11 .08 .05 .11 .16 .06 .06
0
.03 .05 .08 .06 .17 .07 .08 .07 .08 .08 .08 .06 .06 .04 .05 .05 .08 .06 .05 .07
[1] 2ycs.a .19 .11 .05 .09 .10 .10 .10 .13 .08 .06 .12 .16 .09 .08 .03
0
.06 .09 .06 .17 .09 .10 .09 .10 .10 .06 .08 .06 .06 .07 .08 .09 .08 .08 .09
[1] 2yiq.a .14 .09 .04 .08 .06 .06 .08 .11 .06 .07 .13 .16 .06 .08 .05 .06
0
.10 .06 .17 .07 .08 .07 .08 .07 .07 .05 .05 .04 .04 .06 .07 .05 .06 .05
[1] 2yir.a .19 .14 .08 .03 .14 .14 .11 .16 .14 .05 .14 .22 .08 .02 .08 .09 .10
0
.08 .21 .12 .13 .13 .12 .12 .12 .11 .10 .09 .10 .10 .12 .10 .10 .10
[1] 2yit.a .16 .08 .07 .07 .08 .09 .07 .11 .08 .05 .12 .16 .08 .06 .06 .06 .06 .08
0
.17 .08 .09 .08 .08 .08 .08 .07 .08 .07 .07 .08 .07 .09 .06 .07
[1] 3i6u.a .28 .20 .18 .21 .18 .19 .19 .18 .16 .18 .21 .21 .20 .20 .17 .17 .17 .21 .17
0
.18 .17 .19 .20 .16 .18 .19 .16 .18 .18 .17 .18 .19 .18 .17
[1] 4a9r.a .14 .05 .09 .11 .03 .03 .03 .05 .09 .09 .14 .14 .10 .10 .07 .09 .07 .12 .08 .18
0
.02 .02 .03 .06 .10 .07 .08 .07 .06 .08 .08 .07 .08 .05
[1] 4a9s.a .15 .06 .10 .11 .04 .04 .03 .05 .10 .10 .13 .14 .11 .11 .08 .10 .08 .13 .09 .17 .02
0
.03 .03 .05 .10 .07 .08 .08 .07 .08 .09 .08 .09 .05
[1] 4a9t.a .15 .06 .09 .11 .04 .04 .04 .06 .10 .10 .14 .15 .10 .11 .07 .09 .07 .13 .08 .19 .02 .03
0
.03 .07 .11 .08 .09 .07 .07 .08 .09 .07 .09 .07
[1] 4a9u.a .16 .05 .10 .11 .04 .05 .04 .06 .11 .09 .15 .15 .10 .10 .08 .10 .08 .12 .08 .20 .03 .03 .03
0
.06 .11 .08 .09 .07 .07 .08 .09 .09 .09 .06
[1] 4bda.a .15 .09 .09 .11 .07 .07 .06 .06 .09 .09 .14 .13 .10 .11 .08 .10 .07 .12 .08 .16 .06 .05 .07 .06
0
.10 .07 .08 .07 .07 .05 .08 .07 .09 .06
[1] 4bdb.a .17 .11 .06 .11 .08 .07 .08 .13 .07 .08 .11 .17 .10 .11 .08 .06 .07 .12 .08 .18 .10 .10 .11 .11 .10
0
.04 .02 .05 .05 .07 .04 .06 .05 .06
[1] 4bdc.a .16 .08 .05 .09 .05 .06 .06 .11 .07 .08 .10 .16 .07 .08 .06 .08 .05 .11 .07 .19 .07 .07 .08 .08 .07 .04
0
.03 .02 .02 .04 .03 .04 .03 .04
[1] 4bdd.a .17 .10 .04 .09 .07 .07 .08 .11 .07 .06 .10 .16 .08 .09 .06 .06 .05 .10 .08 .16 .08 .08 .09 .09 .08 .02 .03
0
.03 .03 .05 .03 .04 .05 .04
[1] 4bde.a .15 .09 .03 .07 .06 .06 .07 .11 .07 .06 .11 .17 .07 .07 .04 .06 .04 .09 .07 .18 .07 .08 .07 .07 .07 .05 .02 .03
0
.03 .03 .05 .04 .04 .05
[1] 4bdf.a .16 .08 .04 .09 .05 .05 .07 .10 .07 .07 .09 .16 .07 .08 .05 .07 .04 .10 .07 .18 .06 .07 .07 .07 .07 .05 .02 .03 .03
0
.04 .04 .03 .04 .03
[1] 4bdg.a .17 .10 .05 .08 .08 .09 .08 .08 .10 .07 .12 .16 .07 .08 .05 .08 .06 .10 .08 .17 .08 .08 .08 .08 .05 .07 .04 .05 .03 .04
0
.07 .05 .06 .07
[1] 4bdh.a .16 .09 .06 .11 .06 .07 .07 .12 .07 .08 .10 .15 .08 .10 .08 .09 .07 .12 .07 .18 .08 .09 .09 .09 .08 .04 .03 .03 .05 .04 .07
0
.05 .04 .05
[1] 4bdi.a .17 .10 .06 .09 .08 .08 .07 .11 .08 .07 .10 .18 .07 .08 .06 .08 .05 .10 .09 .19 .07 .08 .07 .09 .07 .06 .04 .04 .04 .03 .05 .05
0
.06 .05
[1] 4bdj.a .15 .10 .05 .09 .06 .07 .09 .12 .07 .07 .11 .16 .08 .08 .05 .08 .06 .10 .06 .18 .08 .09 .09 .09 .09 .05 .03 .05 .04 .04 .06 .04 .06
0
.06
[1] 4bdk.a .16 .08 .06 .10 .05 .05 .06 .09 .08 .08 .09 .15 .08 .09 .07 .09 .05 .10 .07 .17 .05 .05 .07 .06 .06 .06 .04 .04 .05 .03 .07 .05 .05 .06
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 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
2cn5.a
2cn8.a
2w0j.a
2w7x.a
2wtc.a
2wtd.a
2wti.a
2wtj.a
2xbj.a
2xk9.a
2xm8.a
2xm9.a
2ycf.a
2ycq.a
2ycr.a
2ycs.a
2yiq.a
2yir.a
2yit.a
3i6u.a
4a9r.a
4a9s.a
4a9t.a
4a9u.a
4bda.a
4bdb.a
4bdc.a
4bdd.a
4bde.a
4bdf.a
4bdg.a
4bdh.a
4bdi.a
4bdj.a
4bdk.a
[1] 2cn5.a
0
0.7 0.7 1.1 0.6 0.6 0.8 0.6 0.8 1.1 1.1 0.5 0.8 1.3 0.7 0.8 0.8 1.3 1.1 3.9 0.6 0.6 0.7 0.6 0.6 0.6 0.8 0.7 0.5 0.5 0.8 0.5 0.6 0.7 0.7
[1] 2cn8.a 0.7
0
0.7 0.9 0.6 0.5 0.6 0.5 0.7 0.8 1.1 0.7 0.6 1.0 0.7 0.7 0.6 1.1 0.8 3.9 0.6 0.6 0.5 0.6 0.6 0.7 0.7 0.8 0.5 0.5 0.6 0.6 0.6 0.6 0.7
[1] 2w0j.a 0.7 0.7
0
0.5 0.6 0.5 0.6 0.5 0.6 0.4 1.4 0.7 0.3 0.6 0.2 0.3 0.3 0.7 0.5 4.0 0.6 0.6 0.6 0.5 0.5 0.5 0.6 0.6 0.4 0.6 0.4 0.6 0.8 0.6 0.6
[1] 2w7x.a 1.1 0.9 0.5
0
0.9 0.8 0.8 0.8 0.9 0.4 1.5 1.0 0.7 0.3 0.4 0.5 0.5 0.4 0.8 4.1 0.9 0.9 0.8 0.8 0.8 0.7 0.8 0.8 0.7 0.9 0.8 0.8 1.0 0.8 0.8
[1] 2wtc.a 0.6 0.6 0.6 0.9
0
0.3 0.5 0.4 0.5 0.8 1.0 0.6 0.6 1.0 0.6 0.6 0.6 1.0 0.7 3.8 0.4 0.4 0.4 0.4 0.5 0.7 0.5 0.7 0.4 0.4 0.5 0.4 0.4 0.5 0.5
[1] 2wtd.a 0.6 0.5 0.5 0.8 0.3
0
0.4 0.3 0.4 0.6 1.1 0.5 0.4 0.9 0.5 0.5 0.5 0.9 0.6 3.9 0.4 0.4 0.2 0.3 0.3 0.6 0.5 0.6 0.3 0.4 0.4 0.4 0.5 0.5 0.5
[1] 2wti.a 0.8 0.6 0.6 0.8 0.5 0.4
0
0.4 0.5 0.6 1.1 0.8 0.6 0.9 0.6 0.5 0.5 1.0 0.7 3.8 0.3 0.3 0.3 0.3 0.4 0.6 0.3 0.6 0.4 0.4 0.4 0.4 0.4 0.5 0.5
[1] 2wtj.a 0.6 0.5 0.5 0.8 0.4 0.3 0.4
0
0.4 0.6 1.1 0.6 0.4 0.9 0.5 0.5 0.5 1.0 0.6 3.9 0.4 0.4 0.3 0.3 0.3 0.6 0.5 0.7 0.3 0.4 0.4 0.5 0.5 0.6 0.5
[1] 2xbj.a 0.8 0.7 0.6 0.9 0.5 0.4 0.5 0.4
0
0.7 1.1 0.6 0.7 1.0 0.6 0.6 0.6 1.1 0.6 4.0 0.5 0.5 0.5 0.5 0.4 0.6 0.5 0.6 0.4 0.5 0.5 0.5 0.6 0.4 0.6
[1] 2xk9.a 1.1 0.8 0.4 0.4 0.8 0.6 0.6 0.6 0.7
0
1.4 0.9 0.7 0.5 0.4 0.4 0.4 0.6 0.7 4.1 0.8 0.8 0.7 0.6 0.6 0.7 0.6 0.7 0.6 0.7 0.6 0.7 0.8 0.7 0.7
[1] 2xm8.a 1.1 1.1 1.4 1.5 1.0 1.1 1.1 1.1 1.1 1.4
0
1.1 1.3 1.6 1.3 1.3 1.4 1.6 1.3 4.0 1.0 1.0 1.1 1.1 1.1 1.2 1.1 1.2 1.0 1.1 1.1 1.1 1.1 1.2 1.3
[1] 2xm9.a 0.5 0.7 0.7 1.0 0.6 0.5 0.8 0.6 0.6 0.9 1.1
0
0.6 1.1 0.7 0.7 0.7 1.1 0.8 3.9 0.5 0.5 0.6 0.6 0.6 0.7 0.8 0.7 0.4 0.5 0.7 0.4 0.6 0.5 0.7
[1] 2ycf.a 0.8 0.6 0.3 0.7 0.6 0.4 0.6 0.4 0.7 0.7 1.3 0.6
0
0.9 0.3 0.4 0.2 0.9 0.7 4.1 0.5 0.5 0.5 0.4 0.5 0.6 0.7 0.6 0.4 0.6 0.6 0.5 0.7 0.6 0.6
[1] 2ycq.a 1.3 1.0 0.6 0.3 1.0 0.9 0.9 0.9 1.0 0.5 1.6 1.1 0.9
0
0.6 0.6 0.7 0.4 0.9 4.2 1.0 1.0 0.9 0.9 0.8 0.8 0.8 0.8 0.8 0.9 0.8 0.9 1.1 0.9 0.9
[1] 2ycr.a 0.7 0.7 0.2 0.4 0.6 0.5 0.6 0.5 0.6 0.4 1.3 0.7 0.3 0.6
0
0.3 0.3 0.7 0.5 4.0 0.6 0.6 0.6 0.5 0.5 0.6 0.7 0.6 0.4 0.6 0.5 0.5 0.7 0.6 0.6
[1] 2ycs.a 0.8 0.7 0.3 0.5 0.6 0.5 0.5 0.5 0.6 0.4 1.3 0.7 0.4 0.6 0.3
0
0.3 0.7 0.4 4.0 0.6 0.6 0.6 0.5 0.4 0.6 0.6 0.6 0.4 0.6 0.4 0.6 0.8 0.5 0.6
[1] 2yiq.a 0.8 0.6 0.3 0.5 0.6 0.5 0.5 0.5 0.6 0.4 1.4 0.7 0.2 0.7 0.3 0.3
0
0.8 0.5 4.0 0.6 0.6 0.5 0.4 0.5 0.7 0.5 0.7 0.5 0.7 0.4 0.6 0.8 0.6 0.7
[1] 2yir.a 1.3 1.1 0.7 0.4 1.0 0.9 1.0 1.0 1.1 0.6 1.6 1.1 0.9 0.4 0.7 0.7 0.8
0
1.0 4.2 1.0 1.1 1.0 1.0 0.9 0.9 1.0 0.9 0.9 1.0 0.9 0.9 1.1 0.9 0.9
[1] 2yit.a 1.1 0.8 0.5 0.8 0.7 0.6 0.7 0.6 0.6 0.7 1.3 0.8 0.7 0.9 0.5 0.4 0.5 1.0
0
4.2 0.8 0.8 0.7 0.7 0.6 0.7 0.6 0.7 0.6 0.7 0.6 0.7 0.9 0.5 0.7
[1] 3i6u.a 3.9 3.9 4.0 4.1 3.8 3.9 3.8 3.9 4.0 4.1 4.0 3.9 4.1 4.2 4.0 4.0 4.0 4.2 4.2
0
3.8 3.8 3.9 3.9 3.9 3.9 3.9 3.9 3.9 3.9 4.0 3.9 3.7 4.0 3.9
[1] 4a9r.a 0.6 0.6 0.6 0.9 0.4 0.4 0.3 0.4 0.5 0.8 1.0 0.5 0.5 1.0 0.6 0.6 0.6 1.0 0.8 3.8
0
0.3 0.3 0.3 0.5 0.8 0.5 0.8 0.4 0.5 0.6 0.5 0.5 0.6 0.6
[1] 4a9s.a 0.6 0.6 0.6 0.9 0.4 0.4 0.3 0.4 0.5 0.8 1.0 0.5 0.5 1.0 0.6 0.6 0.6 1.1 0.8 3.8 0.3
0
0.3 0.3 0.4 0.8 0.5 0.8 0.4 0.5 0.5 0.5 0.4 0.6 0.6
[1] 4a9t.a 0.7 0.5 0.6 0.8 0.4 0.2 0.3 0.3 0.5 0.7 1.1 0.6 0.5 0.9 0.6 0.6 0.5 1.0 0.7 3.9 0.3 0.3
0
0.1 0.3 0.7 0.5 0.7 0.3 0.5 0.4 0.4 0.5 0.5 0.7
[1] 4a9u.a 0.6 0.6 0.5 0.8 0.4 0.3 0.3 0.3 0.5 0.6 1.1 0.6 0.4 0.9 0.5 0.5 0.4 1.0 0.7 3.9 0.3 0.3 0.1
0
0.3 0.7 0.5 0.7 0.4 0.4 0.4 0.5 0.5 0.6 0.6
[1] 4bda.a 0.6 0.6 0.5 0.8 0.5 0.3 0.4 0.3 0.4 0.6 1.1 0.6 0.5 0.8 0.5 0.4 0.5 0.9 0.6 3.9 0.5 0.4 0.3 0.3
0
0.5 0.4 0.6 0.2 0.3 0.3 0.4 0.5 0.5 0.5
[1] 4bdb.a 0.6 0.7 0.5 0.7 0.7 0.6 0.6 0.6 0.6 0.7 1.2 0.7 0.6 0.8 0.6 0.6 0.7 0.9 0.7 3.9 0.8 0.8 0.7 0.7 0.5
0
0.6 0.2 0.6 0.6 0.6 0.6 0.7 0.7 0.6
[1] 4bdc.a 0.8 0.7 0.6 0.8 0.5 0.5 0.3 0.5 0.5 0.6 1.1 0.8 0.7 0.8 0.7 0.6 0.5 1.0 0.6 3.9 0.5 0.5 0.5 0.5 0.4 0.6
0
0.6 0.3 0.4 0.4 0.4 0.5 0.3 0.4
[1] 4bdd.a 0.7 0.8 0.6 0.8 0.7 0.6 0.6 0.7 0.6 0.7 1.2 0.7 0.6 0.8 0.6 0.6 0.7 0.9 0.7 3.9 0.8 0.8 0.7 0.7 0.6 0.2 0.6
0
0.6 0.6 0.6 0.6 0.7 0.7 0.6
[1] 4bde.a 0.5 0.5 0.4 0.7 0.4 0.3 0.4 0.3 0.4 0.6 1.0 0.4 0.4 0.8 0.4 0.4 0.5 0.9 0.6 3.9 0.4 0.4 0.3 0.4 0.2 0.6 0.3 0.6
0
0.4 0.4 0.4 0.5 0.5 0.5
[1] 4bdf.a 0.5 0.5 0.6 0.9 0.4 0.4 0.4 0.4 0.5 0.7 1.1 0.5 0.6 0.9 0.6 0.6 0.7 1.0 0.7 3.9 0.5 0.5 0.5 0.4 0.3 0.6 0.4 0.6 0.4
0
0.3 0.4 0.5 0.5 0.5
[1] 4bdg.a 0.8 0.6 0.4 0.8 0.5 0.4 0.4 0.4 0.5 0.6 1.1 0.7 0.6 0.8 0.5 0.4 0.4 0.9 0.6 4.0 0.6 0.5 0.4 0.4 0.3 0.6 0.4 0.6 0.4 0.3
0
0.4 0.6 0.4 0.5
[1] 4bdh.a 0.5 0.6 0.6 0.8 0.4 0.4 0.4 0.5 0.5 0.7 1.1 0.4 0.5 0.9 0.5 0.6 0.6 0.9 0.7 3.9 0.5 0.5 0.4 0.5 0.4 0.6 0.4 0.6 0.4 0.4 0.4
0
0.3 0.5 0.5
[1] 4bdi.a 0.6 0.6 0.8 1.0 0.4 0.5 0.4 0.5 0.6 0.8 1.1 0.6 0.7 1.1 0.7 0.8 0.8 1.1 0.9 3.7 0.5 0.4 0.5 0.5 0.5 0.7 0.5 0.7 0.5 0.5 0.6 0.3
0
0.6 0.6
[1] 4bdj.a 0.7 0.6 0.6 0.8 0.5 0.5 0.5 0.6 0.4 0.7 1.2 0.5 0.6 0.9 0.6 0.5 0.6 0.9 0.5 4.0 0.6 0.6 0.5 0.6 0.5 0.7 0.3 0.7 0.5 0.5 0.4 0.5 0.6
0
0.5
[1] 4bdk.a 0.7 0.7 0.6 0.8 0.5 0.5 0.5 0.5 0.6 0.7 1.3 0.7 0.6 0.9 0.6 0.6 0.7 0.9 0.7 3.9 0.6 0.6 0.7 0.6 0.5 0.6 0.4 0.6 0.5 0.5 0.5 0.5 0.6 0.5
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.6 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
2cn5.a
2cn8.a
2w0j.a
2w7x.a
2wtc.a
2wtd.a
2wti.a
2wtj.a
2xbj.a
2xk9.a
2xm8.a
2xm9.a
2ycf.a
2ycq.a
2ycr.a
2ycs.a
2yiq.a
2yir.a
2yit.a
3i6u.a
4a9r.a
4a9s.a
4a9t.a
4a9u.a
4bda.a
4bdb.a
4bdc.a
4bdd.a
4bde.a
4bdf.a
4bdg.a
4bdh.a
4bdi.a
4bdj.a
4bdk.a
[1] 2cn5.a
0
1.2 1.0 1.4 1.0 0.9 1.0 0.9 1.0 1.3 1.3 0.9 1.1 1.6 1.1 1.1 1.1 1.7 1.5 4.5 1.0 0.9 0.9 0.9 0.9 1.0 1.1 1.1 0.8 0.9 1.0 0.8 0.9 1.1 1.0
[1] 2cn8.a 1.2
0
1.4 1.6 1.0 1.2 1.2 1.0 1.0 1.5 1.2 1.1 1.3 1.8 1.4 1.4 1.3 1.8 1.7 4.6 1.2 0.9 1.2 0.9 1.3 1.4 1.4 1.5 1.2 1.3 1.3 1.3 1.3 1.4 1.4
[1] 2w0j.a 1.0 1.4
0
0.8 1.0 0.8 0.9 0.9 0.9 0.7 1.4 1.0 0.7 1.1 0.5 0.7 0.7 1.2 1.1 4.6 1.0 1.0 0.9 0.9 0.9 0.8 0.8 1.0 0.7 0.8 0.7 0.7 0.9 0.8 0.9
[1] 2w7x.a 1.4 1.6 0.8
0
1.2 1.1 1.1 1.2 1.2 0.5 1.7 1.2 0.9 0.9 0.7 0.8 0.9 0.9 1.1 4.7 1.2 1.3 1.2 1.2 1.1 1.1 1.0 1.2 1.0 1.0 1.0 1.0 1.2 1.0 1.1
[1] 2wtc.a 1.0 1.0 1.0 1.2
0
0.4 0.6 0.6 0.8 1.1 1.2 0.8 1.0 1.4 1.0 0.9 0.9 1.5 1.2 4.5 0.7 0.7 0.7 0.7 0.7 0.9 0.8 1.1 0.6 0.7 0.7 0.7 0.7 0.8 0.9
[1] 2wtd.a 0.9 1.2 0.8 1.1 0.4
0
0.4 0.5 0.7 1.0 1.3 0.8 0.9 1.3 0.9 0.8 0.9 1.4 1.2 4.5 0.7 0.7 0.6 0.6 0.6 0.8 0.7 1.0 0.5 0.7 0.6 0.6 0.6 0.8 0.8
[1] 2wti.a 1.0 1.2 0.9 1.1 0.6 0.4
0
0.6 0.8 1.0 1.2 0.9 0.9 1.4 0.9 0.9 0.8 1.4 1.2 4.5 0.6 0.6 0.6 0.6 0.7 0.8 0.7 1.0 0.6 0.8 0.7 0.7 0.7 0.9 0.8
[1] 2wtj.a 0.9 1.0 0.9 1.2 0.6 0.5 0.6
0
0.8 1.1 1.3 0.8 1.0 1.4 0.9 0.9 0.9 1.5 1.3 4.5 0.8 0.8 0.7 0.7 0.6 0.9 0.9 1.1 0.7 0.8 0.7 0.8 0.7 0.9 0.9
[1] 2xbj.a 1.0 1.0 0.9 1.2 0.8 0.7 0.8 0.8
0
1.1 1.3 0.8 1.0 1.4 0.9 0.9 0.9 1.4 1.2 4.1 0.8 0.8 0.7 0.8 0.8 0.8 0.7 1.0 0.7 0.7 0.7 0.7 0.7 0.7 0.7
[1] 2xk9.a 1.3 1.5 0.7 0.5 1.1 1.0 1.0 1.1 1.1
0
1.6 1.2 0.9 0.9 0.7 0.7 0.9 1.0 1.0 4.7 1.1 1.2 1.1 1.1 1.0 1.0 0.8 1.2 0.9 0.9 0.9 0.9 1.1 0.9 1.0
[1] 2xm8.a 1.3 1.2 1.4 1.7 1.2 1.3 1.2 1.3 1.3 1.6
0
1.3 1.5 1.8 1.5 1.5 1.5 1.9 1.7 4.1 1.1 1.1 1.2 1.3 1.3 1.4 1.3 1.5 1.2 1.4 1.3 1.3 1.3 1.4 1.4
[1] 2xm9.a 0.9 1.1 1.0 1.2 0.8 0.8 0.9 0.8 0.8 1.2 1.3
0
1.0 1.5 1.0 1.0 1.0 1.5 1.3 4.5 0.8 0.9 0.8 0.9 0.9 0.9 1.0 1.1 0.8 0.8 0.9 0.8 0.8 0.8 1.0
[1] 2ycf.a 1.1 1.3 0.7 0.9 1.0 0.9 0.9 1.0 1.0 0.9 1.5 1.0
0
1.2 0.7 0.7 0.7 1.3 1.2 4.7 0.9 0.9 0.8 0.8 0.9 0.9 0.9 1.1 0.8 0.9 0.9 0.8 0.9 1.0 0.9
[1] 2ycq.a 1.6 1.8 1.1 0.9 1.4 1.3 1.4 1.4 1.4 0.9 1.8 1.5 1.2
0
1.0 1.1 1.2 0.7 0.9 4.8 1.4 1.5 1.3 1.4 1.3 1.3 1.2 1.5 1.3 1.3 1.2 1.3 1.4 1.3 1.3
[1] 2ycr.a 1.1 1.4 0.5 0.7 1.0 0.9 0.9 0.9 0.9 0.7 1.5 1.0 0.7 1.0
0
0.6 0.7 1.1 1.0 4.6 0.9 1.0 0.8 0.9 0.9 0.8 0.7 1.0 0.7 0.7 0.7 0.7 0.8 0.8 0.8
[1] 2ycs.a 1.1 1.4 0.7 0.8 0.9 0.8 0.9 0.9 0.9 0.7 1.5 1.0 0.7 1.1 0.6
0
0.6 1.2 1.0 4.6 0.9 1.0 0.9 0.9 0.8 0.7 0.7 0.9 0.6 0.8 0.7 0.7 0.9 0.8 0.8
[1] 2yiq.a 1.1 1.3 0.7 0.9 0.9 0.9 0.8 0.9 0.9 0.9 1.5 1.0 0.7 1.2 0.7 0.6
0
1.3 1.1 4.7 0.9 1.0 0.9 0.9 0.9 0.9 0.8 1.1 0.7 0.9 0.8 0.8 1.0 0.9 0.9
[1] 2yir.a 1.7 1.8 1.2 0.9 1.5 1.4 1.4 1.5 1.4 1.0 1.9 1.5 1.3 0.7 1.1 1.2 1.3
0
1.2 4.8 1.5 1.5 1.4 1.4 1.4 1.3 1.3 1.5 1.3 1.3 1.2 1.2 1.4 1.3 1.3
[1] 2yit.a 1.5 1.7 1.1 1.1 1.2 1.2 1.2 1.3 1.2 1.0 1.7 1.3 1.2 0.9 1.0 1.0 1.1 1.2
0
4.8 1.3 1.3 1.2 1.2 1.2 1.2 1.1 1.3 1.1 1.2 1.1 1.1 1.3 1.1 1.2
[1] 3i6u.a 4.5 4.6 4.6 4.7 4.5 4.5 4.5 4.5 4.1 4.7 4.1 4.5 4.7 4.8 4.6 4.6 4.7 4.8 4.8
0
4.5 4.5 4.5 4.5 4.5 4.6 4.6 4.6 4.6 4.5 4.6 4.5 4.4 4.6 4.5
[1] 4a9r.a 1.0 1.2 1.0 1.2 0.7 0.7 0.6 0.8 0.8 1.1 1.1 0.8 0.9 1.4 0.9 0.9 0.9 1.5 1.3 4.5
0
0.5 0.5 0.5 0.7 0.9 0.7 0.9 0.6 0.7 0.8 0.8 0.6 0.9 0.7
[1] 4a9s.a 0.9 0.9 1.0 1.3 0.7 0.7 0.6 0.8 0.8 1.2 1.1 0.9 0.9 1.5 1.0 1.0 1.0 1.5 1.3 4.5 0.5
0
0.5 0.4 0.7 0.9 0.7 1.0 0.6 0.7 0.7 0.7 0.6 0.9 0.8
[1] 4a9t.a 0.9 1.2 0.9 1.2 0.7 0.6 0.6 0.7 0.7 1.1 1.2 0.8 0.8 1.3 0.8 0.9 0.9 1.4 1.2 4.5 0.5 0.5
0
0.3 0.6 0.8 0.8 1.0 0.6 0.7 0.6 0.6 0.6 0.9 0.8
[1] 4a9u.a 0.9 0.9 0.9 1.2 0.7 0.6 0.6 0.7 0.8 1.1 1.3 0.9 0.8 1.4 0.9 0.9 0.9 1.4 1.2 4.5 0.5 0.4 0.3
0
0.5 0.9 0.7 1.0 0.5 0.7 0.6 0.6 0.7 0.9 0.9
[1] 4bda.a 0.9 1.3 0.9 1.1 0.7 0.6 0.7 0.6 0.8 1.0 1.3 0.9 0.9 1.3 0.9 0.8 0.9 1.4 1.2 4.5 0.7 0.7 0.6 0.5
0
0.8 0.7 1.0 0.5 0.6 0.4 0.6 0.6 0.8 0.7
[1] 4bdb.a 1.0 1.4 0.8 1.1 0.9 0.8 0.8 0.9 0.8 1.0 1.4 0.9 0.9 1.3 0.8 0.7 0.9 1.3 1.2 4.6 0.9 0.9 0.8 0.9 0.8
0
0.7 0.3 0.7 0.8 0.7 0.8 0.8 0.9 0.8
[1] 4bdc.a 1.1 1.4 0.8 1.0 0.8 0.7 0.7 0.9 0.7 0.8 1.3 1.0 0.9 1.2 0.7 0.7 0.8 1.3 1.1 4.6 0.7 0.7 0.8 0.7 0.7 0.7
0
0.9 0.6 0.4 0.6 0.6 0.6 0.5 0.5
[1] 4bdd.a 1.1 1.5 1.0 1.2 1.1 1.0 1.0 1.1 1.0 1.2 1.5 1.1 1.1 1.5 1.0 0.9 1.1 1.5 1.3 4.6 0.9 1.0 1.0 1.0 1.0 0.3 0.9
0
0.9 0.9 0.9 0.9 0.9 1.0 0.9
[1] 4bde.a 0.8 1.2 0.7 1.0 0.6 0.5 0.6 0.7 0.7 0.9 1.2 0.8 0.8 1.3 0.7 0.6 0.7 1.3 1.1 4.6 0.6 0.6 0.6 0.5 0.5 0.7 0.6 0.9
0
0.6 0.5 0.6 0.6 0.8 0.6
[1] 4bdf.a 0.9 1.3 0.8 1.0 0.7 0.7 0.8 0.8 0.7 0.9 1.4 0.8 0.9 1.3 0.7 0.8 0.9 1.3 1.2 4.5 0.7 0.7 0.7 0.7 0.6 0.8 0.4 0.9 0.6
0
0.6 0.6 0.6 0.6 0.8
[1] 4bdg.a 1.0 1.3 0.7 1.0 0.7 0.6 0.7 0.7 0.7 0.9 1.3 0.9 0.9 1.2 0.7 0.7 0.8 1.2 1.1 4.6 0.8 0.7 0.6 0.6 0.4 0.7 0.6 0.9 0.5 0.6
0
0.6 0.6 0.7 0.7
[1] 4bdh.a 0.8 1.3 0.7 1.0 0.7 0.6 0.7 0.8 0.7 0.9 1.3 0.8 0.8 1.3 0.7 0.7 0.8 1.2 1.1 4.5 0.8 0.7 0.6 0.6 0.6 0.8 0.6 0.9 0.6 0.6 0.6
0
0.6 0.7 0.7
[1] 4bdi.a 0.9 1.3 0.9 1.2 0.7 0.6 0.7 0.7 0.7 1.1 1.3 0.8 0.9 1.4 0.8 0.9 1.0 1.4 1.3 4.4 0.6 0.6 0.6 0.7 0.6 0.8 0.6 0.9 0.6 0.6 0.6 0.6
0
0.8 0.8
[1] 4bdj.a 1.1 1.4 0.8 1.0 0.8 0.8 0.9 0.9 0.7 0.9 1.4 0.8 1.0 1.3 0.8 0.8 0.9 1.3 1.1 4.6 0.9 0.9 0.9 0.9 0.8 0.9 0.5 1.0 0.8 0.6 0.7 0.7 0.8
0
0.8
[1] 4bdk.a 1.0 1.4 0.9 1.1 0.9 0.8 0.8 0.9 0.7 1.0 1.4 1.0 0.9 1.3 0.8 0.8 0.9 1.3 1.2 4.5 0.7 0.8 0.8 0.9 0.7 0.8 0.5 0.9 0.6 0.8 0.7 0.7 0.8 0.8
0
[Binding site full-atom RMSD matrix]







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