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ITK_HUMAN_353_620

Tyrosine-protein kinase ITK/TSK [Protein kinase superfamily. Tyr protein kinase family. TEC subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ITK_HUMAN):D: Protein kinase (367:375, 377, 379, 387, 389:391, 393, 397, 398, 402, 403, 406, 410, 419, 433, 435:442, 444, 445, 449, 450, 486, 487, 489, 499, 500, 502:507)367:375, 377, 379, 387, 389:391, 393, 397, 398, 402, 403, 406, 410, 419, 433, 435:442, 444, 445, 449, 450, 486, 487, 489, 499, 500, 502:507

Full PDB list

1sm2, 1snu, 1snx, 3miy, 3mj1, 3mj2, 3qgw, 3qgy, 3t9t, 3v5j, 3v5l, 3v8t, 3v8w, 4hct, 4hcu, 4hcv, 4kio, 4l7s, 4m0y, 4m0z, 4m12, 4m13, 4m14, 4m15, 4mf0, 4mf1, 4pp9, 4ppa, 4ppb, 4ppc, 4pqn, 4qd6, 4rfm (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Q
3
6
7
I
3
6
9
G
3
7
0
S
3
7
1
G
3
7
2
Q
3
7
3
F
3
7
4
V
3
7
7
L
3
7
9
K
3
8
7
A
3
8
9
K
3
9
1
I
3
9
3
M
3
9
8
E
4
0
6
M
4
1
0
V
4
1
9
L
4
3
3
F
4
3
5
E
4
3
6
F
4
3
7
M
4
3
8
E
4
3
9
H
4
4
0
G
4
4
1
C
4
4
2
D
4
4
5
R
4
8
6
N
4
8
7
L
4
8
9
S
4
9
9
D
5
0
0
M
5
0
3
F
5
0
6
V
5
0
7
[1]1sm2.b stu35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]3miy.a b4929 . . . . . - - . . . . . . - . . . . . . . . . . . . . . . . . . - - -
[1]3mj1.a 61432 . . . . . - - . . . . . . - . . . . . . . . . . . . . . . . . . - - -
[1]3mj2.a mjg43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3qgw.a pqc30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]3qgw.b l7a22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]3qgy.b l7o30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - -
[1]3v5j.a 0f232 . . . . . . - . . . . . . - . . . . . . . . . . . . . . . . . . - - -
[1]3v5l.d 0g1,0g162 . . . . . . - . . . . . . . . . . . . . . . . . . . . . . . . . . - -
[1]3v8t.a 47726 . . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . . . - -
[1]3v8w.a 0g229 . . . . . - - . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]4hct.a 18r39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4hcu.a 13l38 . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . .
[1]4hcv.a 13j38 . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . . .
[1]4kio.b g5k,g6k66 . . . . . - - . . . . . . - . . . . . . . . . . . . . . . . . . . - -
[1]4kio.c g5k,g5k,g6k99 . . . . . . . . . . . . . . . . . . . . . . . . . * . . . . . . . - -
[1]4l7s.b g7k36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - -
[1]4m0y.a m0y22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4m0z.a m0z24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4m13.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4m14.a qws26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4m15.a adp27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4mf0.a 29z31 . . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . . . - -
[1]4mf1.a 29y30 . . . . . - - . . . . . . . . . . . . . . . . . . . . . . . . . . - -
[1]4pp9.a 2vt26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]4ppa.a 2vu31 . . . . . . . . . . . . . - . . . . . . . . . . . . . . . . . . - - -
[1]4ppb.a 2vv34 . . . . . . . . . . . . . - . . . . . . . . . . . . . . . . . . - - -
[1]4ppc.a 2vw34 . . . . . - - . . . . . . - . . . . . . . . . . . . . . . . . . - - -
[1]4pqn.a 2w631 . . . . . - - . . . . . . . . . . . . . . . . . . . . . . . . . - - -
[1]4qd6.b 30t35 . . . . . . . . . . . . . - . . . . . . . . . . . . . . . . . . . - -
[2]3t9t.a iaq32 . . . . . . . . . . . . . . . . . . T . . . . . . * . . . . . . . . .
[3]4rfm.a 3p636 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . - -

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
Q
3
6
7
E
3
6
8
I
3
6
9
G
3
7
0
S
3
7
1
G
3
7
2
Q
3
7
3
F
3
7
4
G
3
7
5
V
3
7
7
L
3
7
9
K
3
8
7
A
3
8
9
I
3
9
0
K
3
9
1
I
3
9
3
A
3
9
7
M
3
9
8
D
4
0
2
F
4
0
3
E
4
0
6
M
4
1
0
V
4
1
9
L
4
3
3
F
4
3
5
E
4
3
6
F
4
3
7
M
4
3
8
E
4
3
9
H
4
4
0
G
4
4
1
C
4
4
2
S
4
4
4
D
4
4
5
T
4
4
9
Q
4
5
0
R
4
8
6
N
4
8
7
L
4
8
9
S
4
9
9
D
5
0
0
G
5
0
2
M
5
0
3
T
5
0
4
R
5
0
5
F
5
0
6
V
5
0
7
[1]1sm2.b . . * * . . . * . . . * . . * . . . . . . . . . * . . . . . . . . . . . . . . . . - - - - - -
[1]3miy.a . . * * . . - - . . . . . . * . - - . * . . . . * . . . . . . * . . . . . . . . . - - - - - -
[1]3mj1.a . . * . . * - - . . . . . . * . - - - - . . . . * . . . . . . * . . . . . . . . * - - - - - -
[1]3mj2.a . . . . . * . * . . . . . . * . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . .
[1]3qgw.a . . * . . . . . . . . * . . * . S . . . . . . . * . . . . . . * . . . . * . . . . . - - - - -
[1]3qgw.b . . * . . . . . . . . * . . * . S . . . . . . . * . . . . . . * . . . . . . . . . - - - - - -
[1]3qgy.b . . * . . . . . . . . * . . * . S . . . . . . . * . . . . . . . . . . . . . . . . . . . - - -
[1]3v5j.a . . * * . . . - . . . . . . * . - - . * . . . . * . . . . . . * . . . . . . . . . . - - - - -
[1]3v5l.d . . * * . . . - . . . . . . * . . . . * . . . . * . . . . . . * . . . . . . . . . . . - - - -
[1]3v8t.a . . * * . - - - . . . . . . * . . . . * . . . . * . . . . . . * . . . . . . . . . . . - - - -
[1]3v8w.a . . * * . . - - . . . . . . . . . . . * . . . . * . . . . . . . . * . . . . . . . . - - - - -
[1]4hct.a . . . . . * . . . . . . . . . . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . . .
[1]4hcu.a . . * . . . . . . . . . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . .
[1]4hcv.a . . * . . . . . . . . . . . . . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . .
[1]4kio.b . . * . . . - - - . . . . . * . - - . * . . . . * . . . . . . * . . . . . . . . . . . . - - -
[1]4kio.c . . * . . . . . . . . . . . * . . * . . . . . . * . . . . . . * . . . . . . . . . . . . - - -
[1]4l7s.b . . * . . . . . . . . . . . * . . * . . . . . . * . . . . . . * . . . . . . . . . . . . - - -
[1]4m0y.a . . * . . . . . . . . . . . * . . * . . . . . . * . . . . . . * . . . . . . . . . . . . . . .
[1]4m0z.a . . * . . . . . . . . . . . * . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . .
[1]4m13.a . . * . . . . . . . . . . . * . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . .
[1]4m14.a . . * . . . . . . . . . . . * . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . .
[1]4m15.a . . * . . . . . . . . . . . * . . . . . . . . . * . . . . . . * . . . . . . . . . . . . . . .
[1]4mf0.a . . . . . - - - . . . . . . . . - . . . . . . . * . . . . . . . . . . . . . . . . . * . - - -
[1]4mf1.a . . * . . . - - . . . * . . * . . . . . . . . . * . . . . . . * . . . . . . . . . . . - - - -
[1]4pp9.a . . * * . * . * . . . . . . * . . * . * . . . . * . . . . . . * . * . . . . . . . . - - - - -
[1]4ppa.a . . . . . . . . . . . . . . * . - - . . . . . . * . . . . . . * . . . . . . . . . . - - - - -
[1]4ppb.a . . . . . . . . . . . * . . * . - - . . . . . . . . . . . . . * . . . . . . . . . . - - - - -
[1]4ppc.a . . . . . . - - . . . . . . * . - - - - . . . . . . . . . . . * . . . . . . . . . - - - - - -
[1]4pqn.a . . * * . . - - . . . . . . * . . . . . . . . . * . . . . . . . . . . . . . . . * . - - - - -
[1]4qd6.b . . . . . . . . . . . . . . * . - - . . . . . . * . . . . . . . . . . . . . . . . . . . - - -
[2]3t9t.a * . * * * * . * . . . . . . * . . . . . . . . . T . . . . . . * . . . . . . . . . . . . . . .
[3]4rfm.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
1sm2.b:stu
3miy.a:b49
3mj1.a:614
3mj2.a:mjg
3qgw.a:pqc
3qgw.b:l7a
3qgy.b:l7o
3v5j.a:0f2
3v5l.d:0g1
3v8t.a:477
3v8w.a:0g2
4hct.a:18r
4hcu.a:13l
4hcv.a:13j
4kio.b:g5k,g6k
4kio.c:g5k,g6k
4l7s.b:g7k
4m0y.a:m0y
4m0z.a:m0z
4m13.a is apo
4m14.a:qws
4m15.a:adp
4mf0.a:29z
4mf1.a:29y
4pp9.a:2vt
4ppa.a:2vu
4ppb.a:2vv
4ppc.a:2vw
4pqn.a:2w6
4qd6.b:30t
3t9t.a:iaq
4rfm.a:3p6
[1] 1sm2.b
0.1
0.2 0.3 1.3 1.0 0.1 0.6 0.1 0.5 0.1 0 3.7 3.0 5.4 0.5 1.0 0.7 2.6 1.2 - 2.7 1.9 0.2 0.2 0.5 0.9 0.1 1.0 0.1 0.3 2.0 0.1
[1] 3miy.a 1.4
0
0.2 1.1 1.6 0.7 1.4 0.1 0.4 0.1 1.0 4.3 3.6 3.6 0.4 0.5 0.6 1.7 1.8 - 2.9 1.3 1.5 0.5 0.1 1.5 0.9 1.4 0 0.7 2.9 0.1
[1] 3mj1.a 2.1 0.5
0
1.2 3.7 1.6 2.3 0.3 0.5 1.5 2.1 2.6 2.7 2.9 0.6 0.7 0.8 1.2 1.4 - 1.8 1.1 2.0 1.3 0.2 1.6 1.6 2.2 0.1 1.1 2.1 1.0
[1] 3mj2.a 1.8 0.3 0.2
0
2.7 1.4 2.0 0.2 0.3 0.6 1.9 6.2 6.5 7.4 0.3 0.6 0.3 0.2 0.3 - 0.8 0.5 1.9 1.1 0.2 1.4 1.6 2.2 0.2 0.7 3.0 0.6
[1] 3qgw.a 0.3 0.2 0.1 0.6
0.1
0.3 0.8 0 0.4 0.2 0.1 2.1 1.9 3.3 0.4 0.9 0.4 1.5 0.9 - 2.0 0.5 0.3 0.2 0.3 1.3 0.5 0.6 0 0.3 3.0 0.3
[1] 3qgw.b 0.3 0.2 0.1 1.5 0.8
0.1
0.6 0.1 0.6 0.2 0.4 2.9 2.5 3.4 0.5 1.0 1.1 2.2 1.0 - 2.4 1.0 0.8 0.2 0.4 1.0 0.3 1.6 0.2 0.2 1.8 0.2
[1] 3qgy.b 0.2 0.1 0 0.9 0.2 0.1
0.2
0.1 0.4 0 0.1 2.8 2.7 2.8 0.5 0.6 0.5 1.9 1.1 - 1.8 0.8 0.9 0.6 0.3 1.0 0.3 0.6 0.2 0 1.8 0.2
[1] 3v5j.a 1.2 0.1 0.1 0.7 1.2 0.4 1.3
0
0 0 0.9 4.8 3.8 3.6 0.1 0.4 0.2 1.3 1.2 - 1.9 0.3 1.0 0.2 0 0.9 0.7 2.1 0 0.4 2.4 0.1
[1] 3v5l.d 0.9 0 0.1 1.0 1.2 0.5 1.2 0
0
0 0.7 5.4 3.7 3.8 0.1 0.7 0.4 1.5 1.5 - 2.3 0.9 0.8 0.2 0 0.6 0.6 2.2 0 0.8 3.1 0.1
[1] 3v8t.a 0.7 0 0 1.0 0.7 0.4 1.2 0 0
0
0.7 4.7 4.1 3.7 0.3 0.7 0.3 1.5 1.7 - 2.4 0.5 0.9 0.1 0 0.8 0.5 2.3 0 0.7 3.0 0
[1] 3v8w.a 0.1 0 0 0.8 0.3 0.2 0.9 0 0 0
0
3.3 2.4 2.0 0.2 0.5 0.1 1.8 1.4 - 2.2 0.7 0.4 0.1 0 0.5 0.3 1.8 0 0.3 2.2 0
[1] 4hct.a 0.4 0.3 0.3 0.9 1.8 0.7 1.3 0.7 0.6 0.5 0.9
0.3
0.6 1.3 0.6 0.9 0.9 1.5 1.3 - 1.9 0.7 0.2 0.7 0.3 0.6 0.5 1.5 0.4 0.4 2.5 0.4
[1] 4hcu.a 0.3 0.3 0.2 1.0 0.9 0.6 1.1 0.7 0.6 0.5 0.9 0.5
0.4
1.4 0.6 0.9 0.9 1.7 1.5 - 2.1 0.4 0.1 0.4 0.3 0.6 0.5 1.5 0.3 0.4 2.5 0.4
[1] 4hcv.a 0.3 0.1 0.1 0.6 0.5 0.4 0.7 0.2 0.4 0.3 0.6 0.8 0.9
0.4
0.5 0.6 0.8 0.3 1.0 - 1.3 0.1 0.3 0.1 0.1 0.5 0.3 2.0 0 0.5 2.8 0
[1] 4kio.b 1.2 0.1 0.1 0.5 1.1 0.4 1.3 0 0.1 0 1.1 4.1 3.6 2.7
0.1
0.5 0.5 0.7 1.1 - 1.4 0 1.2 0.3 0 0.5 0.5 2.2 0 0.9 2.5 0
[1] 4kio.c 0.3 0.1 0.1 0.4 0.5 0.2 0.8 0 0.1 0.1 0.2 3.6 3.5 3.2 0.2
0.4
0.4 0.8 1.1 - 1.6 0 0.2 0.1 0 0.2 0.2 1.9 0 0.5 2.6 0
[1] 4l7s.b 0.3 0.1 0 0.4 0.2 0.1 0.6 0 0 0 0.4 4.1 4.0 3.6 0.1 0.4
0
0.8 1.0 - 1.6 0.2 0.4 0.1 0 0.2 0.2 1.4 0 0 1.5 0
[1] 4m0y.a 1.8 0 0.1 0.5 3.0 1.6 2.4 0 0.4 0.7 1.6 3.6 3.2 3.7 0.1 0.9 0.7
0.1
0.2 - 0.4 0.5 1.4 1.1 0 1.1 1.1 3.0 0.3 1.7 3.8 1.1
[1] 4m0z.a 2.0 0.7 0 1.3 2.5 2.0 2.9 0.2 0.3 1.4 1.8 3.9 4.0 3.2 0.7 0.8 0.7 0.1
0
- 0.1 0.1 2.0 1.5 0.4 1.7 1.7 3.3 1.3 1.8 3.4 1.2
[1] 4m13.a 1.7 0.8 0.1 1.4 2.7 2.1 3.0 0.8 1.0 1.9 2.6 4.6 3.6 4.6 0.9 1.0 1.1 0.1 0.2
-
0.5 0.2 2.3 1.8 0.8 2.0 2.2 4.8 1.8 2.9 3.3 1.8
[1] 4m14.a 1.5 0.2 0 1.2 2.3 1.7 2.5 0.3 0.3 1.2 1.6 3.0 3.3 3.1 0.2 0.6 0.6 0.1 0 -
0
0.1 2.0 1.4 0.2 1.4 1.7 3.1 1.0 1.8 3.3 1.2
[1] 4m15.a 1.7 1.1 0 0.9 2.4 2.4 3.0 0.4 0.2 1.8 2.0 3.6 3.4 3.3 0.3 0.7 0.7 0.1 0.1 - 0.3
0
2.3 1.5 0.5 1.6 1.8 3.2 0.8 1.8 3.1 1.4
[1] 4mf0.a 0.1 0.1 0 0.1 0 0.2 0.6 0 0.1 0.2 0.2 2.6 2.3 1.7 0.1 0.4 0.1 0.1 0.1 - 0 0
0
0.1 0 0.1 0.1 0.3 0 0.2 1.5 0.1
[1] 4mf1.a 1.0 0 0.4 1.1 1.0 0.4 1.2 0.1 0.7 0 0.7 4.4 4.1 2.9 0.5 0.7 1.0 1.6 1.5 - 2.8 0.8 1.0
0.1
0.4 1.4 0.6 1.8 0 0.6 2.9 0
[1] 4pp9.a 1.3 0.1 0.1 1.1 1.8 0.5 0.9 0.1 0.8 0.1 1.1 6.4 5.0 5.3 0.6 0.5 0.9 2.0 1.6 - 2.3 1.1 1.3 0.4
0
0.8 0.7 1.2 0.1 0.6 3.0 0.2
[1] 4ppa.a 0.6 0 0 0.1 0.1 0.2 0.5 0.1 0.1 0 0.4 2.2 2.7 2.8 0.2 0.6 0 0.1 0 - 0.1 0 0.5 0.1 0
0
0 0.1 0 0 1.7 0
[1] 4ppb.a 0.3 0.1 0 0.1 0.1 0.2 0.3 0.1 0.1 0 0.1 2.0 2.5 2.8 0.2 0.4 0 0.1 0 - 0 0 0.9 0.1 0 0.1
0
0 0 0 1.2 0
[1] 4ppc.a 0.4 0 0 0.1 0.2 0.3 0.3 0.1 0 0 0.3 2.8 3.2 3.2 0.3 0.5 0.2 0 0 - 0 0 0.5 0.1 0 0.3 0.1
0
0 0 0.8 0.1
[1] 4pqn.a 1.2 0.3 0 0.8 0.2 0.5 1.5 0.1 0.3 0.3 1.1 3.3 2.8 3.5 0.4 0.5 0.6 1.7 1.6 - 2.1 0.2 1.1 0.3 0.1 1.5 1.2 2.3
0
0.2 2.4 0
[1] 4qd6.b 0.8 0.1 0 0.2 0.2 0.3 0.4 0.1 0 0.3 0.6 2.4 2.6 2.5 0.2 0.3 0.2 0.1 0.2 - 0.1 0 0.7 0.1 0.1 0.3 0.2 0.4 0
0.1
1.4 0
[2] 3t9t.a 2.2 0.5 0.4 2.9 4.3 0.6 1.2 1.4 0.8 1.0 1.4 7.7 6.1 7.5 1.0 1.2 1.4 2.5 2.3 - 2.8 3.3 1.3 0.9 0.4 1.2 0.9 1.8 0.5 0.8
0.3
0.6
[3] 4rfm.a 7.5 0.3 1.9 7.0 4.4 0.5 1.0 4.7 2.7 0.2 0.4 3.4 3.1 4.9 3.3 4.5 1.4 3.4 2.9 - 4.2 6.9 0.1 0.2 0.1 0.1 0.2 1.9 0 2.8 7.0
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (3 clusters)

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
1sm2.b
3miy.a
3mj1.a
3mj2.a
3qgw.a
3qgw.b
3qgy.b
3v5j.a
3v5l.d
3v8t.a
3v8w.a
4hct.a
4hcu.a
4hcv.a
4kio.b
4kio.c
4l7s.b
4m0y.a
4m0z.a
4m13.a
4m14.a
4m15.a
4mf0.a
4mf1.a
4pp9.a
4ppa.a
4ppb.a
4ppc.a
4pqn.a
4qd6.b
3t9t.a
4rfm.a
[1] 1sm2.b
0
.17 .17 .20 .12 .11 .11 .20 .21 .20 .19 .24 .20 .20 .19 .19 .16 .19 .20 .17 .18 .19 .24 .14 .19 .19 .17 .20 .19 .18 .24 .35
[1] 3miy.a .17
0
.11 .24 .19 .12 .13 .08 .09 .09 .11 .21 .19 .18 .10 .13 .11 .20 .19 .22 .19 .18 .20 .07 .14 .14 .15 .15 .12 .14 .31 .40
[1] 3mj1.a .17 .11
0
.18 .17 .13 .13 .13 .15 .14 .14 .13 .15 .16 .12 .15 .13 .20 .16 .19 .16 .14 .17 .14 .17 .11 .12 .13 .10 .11 .26 .35
[1] 3mj2.a .20 .24 .18
0
.24 .24 .22 .21 .22 .21 .25 .24 .24 .24 .21 .20 .19 .18 .17 .16 .17 .17 .25 .24 .18 .21 .22 .21 .23 .21 .23 .28
[1] 3qgw.a .12 .19 .17 .24
0
.10 .10 .19 .21 .20 .17 .22 .19 .17 .16 .16 .15 .15 .14 .16 .12 .14 .17 .14 .22 .14 .13 .17 .18 .14 .32 .39
[1] 3qgw.b .11 .12 .13 .24 .10
0
.06 .13 .16 .14 .15 .21 .17 .17 .12 .14 .11 .18 .16 .17 .14 .14 .19 .09 .18 .14 .13 .16 .15 .14 .30 .41
[1] 3qgy.b .11 .13 .13 .22 .10 .06
0
.15 .17 .16 .15 .20 .16 .15 .12 .11 .10 .18 .14 .17 .13 .12 .18 .10 .17 .13 .13 .16 .15 .13 .28 .40
[1] 3v5j.a .20 .08 .13 .21 .19 .13 .15
0
.04 .03 .07 .17 .16 .16 .04 .08 .09 .19 .16 .19 .15 .14 .17 .12 .14 .12 .14 .13 .11 .13 .35 .39
[1] 3v5l.d .21 .09 .15 .22 .21 .16 .17 .04
0
.04 .07 .19 .17 .17 .06 .11 .12 .19 .17 .20 .17 .15 .20 .13 .11 .16 .18 .17 .13 .16 .34 .38
[1] 3v8t.a .20 .09 .14 .21 .20 .14 .16 .03 .04
0
.07 .18 .16 .15 .04 .10 .11 .17 .14 .19 .14 .13 .17 .13 .14 .13 .15 .15 .11 .14 .34 .37
[1] 3v8w.a .19 .11 .14 .25 .17 .15 .15 .07 .07 .07
0
.16 .14 .14 .08 .10 .11 .20 .17 .21 .16 .16 .14 .14 .15 .13 .15 .17 .11 .15 .34 .36
[1] 4hct.a .24 .21 .13 .24 .22 .21 .20 .17 .19 .18 .16
0
.05 .10 .17 .17 .20 .21 .18 .21 .17 .17 .18 .23 .22 .18 .19 .21 .16 .19 .31 .34
[1] 4hcu.a .20 .19 .15 .24 .19 .17 .16 .16 .17 .16 .14 .05
0
.09 .15 .15 .17 .19 .15 .19 .14 .13 .17 .20 .20 .17 .18 .20 .16 .18 .31 .34
[1] 4hcv.a .20 .18 .16 .24 .17 .17 .15 .16 .17 .15 .14 .10 .09
0
.13 .14 .16 .15 .11 .16 .09 .10 .13 .18 .22 .15 .17 .18 .15 .15 .34 .36
[1] 4kio.b .19 .10 .12 .21 .16 .12 .12 .04 .06 .04 .08 .17 .15 .13
0
.07 .09 .16 .13 .17 .12 .10 .15 .12 .15 .10 .12 .13 .11 .11 .34 .38
[1] 4kio.c .19 .13 .15 .20 .16 .14 .11 .08 .11 .10 .10 .17 .15 .14 .07
0
.05 .15 .12 .17 .12 .12 .17 .12 .11 .13 .15 .16 .13 .15 .33 .39
[1] 4l7s.b .16 .11 .13 .19 .15 .11 .10 .09 .12 .11 .11 .20 .17 .16 .09 .05
0
.14 .12 .16 .13 .12 .15 .10 .13 .10 .12 .13 .11 .11 .31 .40
[1] 4m0y.a .19 .20 .20 .18 .15 .18 .18 .19 .19 .17 .20 .21 .19 .15 .16 .15 .14
0
.05 .05 .06 .08 .19 .17 .18 .16 .18 .20 .21 .18 .33 .36
[1] 4m0z.a .20 .19 .16 .17 .14 .16 .14 .16 .17 .14 .17 .18 .15 .11 .13 .12 .12 .05
0
.07 .02 .04 .14 .18 .18 .13 .15 .17 .17 .15 .32 .35
[1] 4m13.a .17 .22 .19 .16 .16 .17 .17 .19 .20 .19 .21 .21 .19 .16 .17 .17 .16 .05 .07
0
.07 .08 .21 .20 .19 .17 .19 .21 .21 .19 .30 .34
[1] 4m14.a .18 .19 .16 .17 .12 .14 .13 .15 .17 .14 .16 .17 .14 .09 .12 .12 .13 .06 .02 .07
0
.03 .14 .19 .19 .11 .13 .16 .16 .13 .31 .34
[1] 4m15.a .19 .18 .14 .17 .14 .14 .12 .14 .15 .13 .16 .17 .13 .10 .10 .12 .12 .08 .04 .08 .03
0
.15 .18 .19 .11 .13 .15 .14 .13 .31 .35
[1] 4mf0.a .24 .20 .17 .25 .17 .19 .18 .17 .20 .17 .14 .18 .17 .13 .15 .17 .15 .19 .14 .21 .14 .15
0
.21 .27 .07 .09 .11 .15 .08 .38 .40
[1] 4mf1.a .14 .07 .14 .24 .14 .09 .10 .12 .13 .13 .14 .23 .20 .18 .12 .12 .10 .17 .18 .20 .19 .18 .21
0
.15 .16 .15 .16 .16 .16 .33 .44
[1] 4pp9.a .19 .14 .17 .18 .22 .18 .17 .14 .11 .14 .15 .22 .20 .22 .15 .11 .13 .18 .18 .19 .19 .19 .27 .15
0
.21 .22 .22 .19 .21 .30 .37
[1] 4ppa.a .19 .14 .11 .21 .14 .14 .13 .12 .16 .13 .13 .18 .17 .15 .10 .13 .10 .16 .13 .17 .11 .11 .07 .16 .21
0
.02 .05 .11 .04 .33 .40
[1] 4ppb.a .17 .15 .12 .22 .13 .13 .13 .14 .18 .15 .15 .19 .18 .17 .12 .15 .12 .18 .15 .19 .13 .13 .09 .15 .22 .02
0
.04 .13 .03 .34 .42
[1] 4ppc.a .20 .15 .13 .21 .17 .16 .16 .13 .17 .15 .17 .21 .20 .18 .13 .16 .13 .20 .17 .21 .16 .15 .11 .16 .22 .05 .04
0
.14 .04 .33 .44
[1] 4pqn.a .19 .12 .10 .23 .18 .15 .15 .11 .13 .11 .11 .16 .16 .15 .11 .13 .11 .21 .17 .21 .16 .14 .15 .16 .19 .11 .13 .14
0
.11 .32 .38
[1] 4qd6.b .18 .14 .11 .21 .14 .14 .13 .13 .16 .14 .15 .19 .18 .15 .11 .15 .11 .18 .15 .19 .13 .13 .08 .16 .21 .04 .03 .04 .11
0
.34 .42
[2] 3t9t.a .24 .31 .26 .23 .32 .30 .28 .35 .34 .34 .34 .31 .31 .34 .34 .33 .31 .33 .32 .30 .31 .31 .38 .33 .30 .33 .34 .33 .32 .34
0
.29
[3] 4rfm.a .35 .40 .35 .28 .39 .41 .40 .39 .38 .37 .36 .34 .34 .36 .38 .39 .40 .36 .35 .34 .34 .35 .40 .44 .37 .40 .42 .44 .38 .42 .29
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 2.6 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
1sm2.b
3miy.a
3mj1.a
3mj2.a
3qgw.a
3qgw.b
3qgy.b
3v5j.a
3v5l.d
3v8t.a
3v8w.a
4hct.a
4hcu.a
4hcv.a
4kio.b
4kio.c
4l7s.b
4m0y.a
4m0z.a
4m13.a
4m14.a
4m15.a
4mf0.a
4mf1.a
4pp9.a
4ppa.a
4ppb.a
4ppc.a
4pqn.a
4qd6.b
3t9t.a
4rfm.a
[1] 1sm2.b
0
1.1 1.4 1.7 1.3 1.1 1.1 1.5 1.7 1.6 1.5 1.9 1.8 1.9 1.5 1.6 1.4 2.2 2.4 2.3 2.5 2.3 21 1.1 1.6 25 25 22 1.8 25 2.3 3.2
[1] 3miy.a 1.1
0
1.2 1.4 1.4 0.9 0.7 0.6 0.6 0.5 0.5 1.8 1.8 1.6 0.8 0.7 0.6 2.1 2.2 2.1 2.3 2.1 21 0.4 0.6 23 22 22 1.1 23 1.9 2.4
[1] 3mj1.a 1.4 1.2
0
0.7 1.7 1.6 1.4 1.2 1.1 1.1 1.1 0.9 1.0 1.2 1.3 1.3 1.2 1.4 1.6 1.5 1.8 1.5 22 1.3 1.2 23 23 22 1.0 23 1.1 1.6
[1] 3mj2.a 1.7 1.4 0.7
0
2.1 2.1 1.9 1.6 1.7 1.6 1.5 1.2 1.3 1.1 1.9 1.9 1.8 1.0 1.2 1.1 1.3 1.1 20 1.7 1.5 25 25 22 1.7 24 1.4 2.9
[1] 3qgw.a 1.3 1.4 1.7 2.1
0
1.5 1.3 1.7 2.1 1.9 1.7 2.2 2.0 2.0 1.6 1.7 1.7 2.5 2.6 2.5 2.6 2.5 21 1.4 2.2 25 25 23 2.0 25 2.7 3.6
[1] 3qgw.b 1.1 0.9 1.6 2.1 1.5
0
0.9 1.3 1.6 1.4 1.3 2.4 2.3 2.1 1.3 1.3 1.3 2.6 2.8 2.7 2.9 2.6 21 1.0 1.6 26 26 23 1.7 26 2.7 3.7
[1] 3qgy.b 1.1 0.7 1.4 1.9 1.3 0.9
0
1.2 1.5 1.4 1.2 2.2 2.1 2.0 1.6 1.4 1.4 2.5 2.6 2.5 2.6 2.4 20 1.1 1.5 25 25 22 1.4 25 2.5 3.6
[1] 3v5j.a 1.5 0.6 1.2 1.6 1.7 1.3 1.2
0
0.5 0.3 0.4 1.9 1.8 1.6 0.4 0.6 0.5 2.0 2.1 2.0 2.2 2.0 21 0.8 0.8 24 24 22 1.0 24 2.2 2.6
[1] 3v5l.d 1.7 0.6 1.1 1.7 2.1 1.6 1.5 0.5
0
0.5 0.7 2.0 2.0 1.8 0.5 0.9 0.8 2.2 2.3 2.2 2.4 2.2 20 1.0 0.7 24 24 22 1.2 23 2.1 3.2
[1] 3v8t.a 1.6 0.5 1.1 1.6 1.9 1.4 1.4 0.3 0.5
0
0.4 1.9 2.0 1.7 0.4 0.7 0.6 2.1 2.2 2.1 2.2 2.1 20 0.8 0.6 21 20 21 1.1 20 1.9 3.0
[1] 3v8w.a 1.5 0.5 1.1 1.5 1.7 1.3 1.2 0.4 0.7 0.4
0
1.8 1.8 1.5 0.6 0.6 0.6 2.0 2.1 2.0 2.2 2.0 21 0.8 0.7 22 22 22 1.1 22 1.9 2.9
[1] 4hct.a 1.9 1.8 0.9 1.2 2.2 2.4 2.2 1.9 2.0 1.9 1.8
0
0.6 1.2 2.0 2.1 1.9 1.2 1.4 1.3 1.6 1.3 20 1.9 1.9 25 25 22 2.1 24 1.1 2.6
[1] 4hcu.a 1.8 1.8 1.0 1.3 2.0 2.3 2.1 1.8 2.0 2.0 1.8 0.6
0
1.1 2.0 2.0 1.9 1.3 1.5 1.4 1.6 1.3 20 1.9 2.0 25 25 22 2.1 24 1.4 2.7
[1] 4hcv.a 1.9 1.6 1.2 1.1 2.0 2.1 2.0 1.6 1.8 1.7 1.5 1.2 1.1
0
1.8 1.8 1.8 1.0 1.2 1.1 1.2 1.0 20 1.8 1.8 25 25 22 1.7 24 1.8 2.9
[1] 4kio.b 1.5 0.8 1.3 1.9 1.6 1.3 1.6 0.4 0.5 0.4 0.6 2.0 2.0 1.8
0
0.4 0.5 2.2 2.2 2.1 2.3 2.1 19 0.8 0.8 21 21 21 1.0 20 2.1 2.7
[1] 4kio.c 1.6 0.7 1.3 1.9 1.7 1.3 1.4 0.6 0.9 0.7 0.6 2.1 2.0 1.8 0.4
0
0.4 2.2 2.3 2.2 2.4 2.2 20 0.8 1.1 25 25 22 1.1 25 2.4 3.6
[1] 4l7s.b 1.4 0.6 1.2 1.8 1.7 1.3 1.4 0.5 0.8 0.6 0.6 1.9 1.9 1.8 0.5 0.4
0
2.2 2.3 2.2 2.3 2.2 20 0.7 0.8 25 25 22 1.1 24 2.2 3.4
[1] 4m0y.a 2.2 2.1 1.4 1.0 2.5 2.6 2.5 2.0 2.2 2.1 2.0 1.2 1.3 1.0 2.2 2.2 2.2
0
0.4 0.3 0.6 0.3 20 2.2 2.1 25 24 22 2.2 24 1.7 2.9
[1] 4m0z.a 2.4 2.2 1.6 1.2 2.6 2.8 2.6 2.1 2.3 2.2 2.1 1.4 1.5 1.2 2.2 2.3 2.3 0.4
0
0.3 0.3 0.3 20 2.4 2.2 24 24 22 2.3 24 1.9 3.0
[1] 4m13.a 2.3 2.1 1.5 1.1 2.5 2.7 2.5 2.0 2.2 2.1 2.0 1.3 1.4 1.1 2.1 2.2 2.2 0.3 0.3
0
0.4 0.3 20 2.2 2.1 24 24 22 2.2 24 1.8 3.0
[1] 4m14.a 2.5 2.3 1.8 1.3 2.6 2.9 2.6 2.2 2.4 2.2 2.2 1.6 1.6 1.2 2.3 2.4 2.3 0.6 0.3 0.4
0
0.4 19 2.4 2.3 24 24 22 2.4 24 2.1 3.1
[1] 4m15.a 2.3 2.1 1.5 1.1 2.5 2.6 2.4 2.0 2.2 2.1 2.0 1.3 1.3 1.0 2.1 2.2 2.2 0.3 0.3 0.3 0.4
0
20 2.2 2.1 25 24 22 2.2 24 1.9 3.0
[1] 4mf0.a 21 21 22 20 21 21 20 21 20 20 21 20 20 20 19 20 20 20 20 20 19 20
0
20 21 1.3 1.3 4.5 21 1.7 20 20
[1] 4mf1.a 1.1 0.4 1.3 1.7 1.4 1.0 1.1 0.8 1.0 0.8 0.8 1.9 1.9 1.8 0.8 0.8 0.7 2.2 2.4 2.2 2.4 2.2 20
0
0.9 22 22 22 1.4 22 2.1 3.0
[1] 4pp9.a 1.6 0.6 1.2 1.5 2.2 1.6 1.5 0.8 0.7 0.6 0.7 1.9 2.0 1.8 0.8 1.1 0.8 2.1 2.2 2.1 2.3 2.1 21 0.9
0
25 25 22 1.3 25 2.0 3.2
[1] 4ppa.a 25 23 23 25 25 26 25 24 24 21 22 25 25 25 21 25 25 25 24 24 24 25 1.3 22 25
0
0.7 4.9 22 1.7 24 25
[1] 4ppb.a 25 22 23 25 25 26 25 24 24 20 22 25 25 25 21 25 25 24 24 24 24 24 1.3 22 25 0.7
0
5.0 22 1.5 24 24
[1] 4ppc.a 22 22 22 22 23 23 22 22 22 21 22 22 22 22 21 22 22 22 22 22 22 22 4.5 22 22 4.9 5.0
0
22 5.2 22 22
[1] 4pqn.a 1.8 1.1 1.0 1.7 2.0 1.7 1.4 1.0 1.2 1.1 1.1 2.1 2.1 1.7 1.0 1.1 1.1 2.2 2.3 2.2 2.4 2.2 21 1.4 1.3 22 22 22
0
22 2.1 3.2
[1] 4qd6.b 25 23 23 24 25 26 25 24 23 20 22 24 24 24 20 25 24 24 24 24 24 24 1.7 22 25 1.7 1.5 5.2 22
0
24 24
[2] 3t9t.a 2.3 1.9 1.1 1.4 2.7 2.7 2.5 2.2 2.1 1.9 1.9 1.1 1.4 1.8 2.1 2.4 2.2 1.7 1.9 1.8 2.1 1.9 20 2.1 2.0 24 24 22 2.1 24
0
2.8
[3] 4rfm.a 3.2 2.4 1.6 2.9 3.6 3.7 3.6 2.6 3.2 3.0 2.9 2.6 2.7 2.9 2.7 3.6 3.4 2.9 3.0 3.0 3.1 3.0 20 3.0 3.2 25 24 22 3.2 24 2.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 2.1 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
1sm2.b
3miy.a
3mj1.a
3mj2.a
3qgw.a
3qgw.b
3qgy.b
3v5j.a
3v5l.d
3v8t.a
3v8w.a
4hct.a
4hcu.a
4hcv.a
4kio.b
4kio.c
4l7s.b
4m0y.a
4m0z.a
4m13.a
4m14.a
4m15.a
4mf0.a
4mf1.a
4pp9.a
4ppa.a
4ppb.a
4ppc.a
4pqn.a
4qd6.b
3t9t.a
4rfm.a
[1] 1sm2.b
0
1.8 2.0 2.5 1.8 1.7 1.8 2.0 2.1 2.1 2.0 2.8 2.7 2.6 2.1 2.0 1.9 3.0 3.0 3.0 3.1 3.0 19 1.8 2.2 25 24 20 2.4 25 3.1 4.1
[1] 3miy.a 1.8
0
1.3 2.0 1.8 1.4 1.2 1.1 1.0 1.0 1.1 2.4 2.4 2.2 1.1 1.1 1.0 2.7 2.7 2.6 2.7 2.6 19 0.5 0.9 20 20 20 1.4 20 2.5 2.6
[1] 3mj1.a 2.0 1.3
0
1.1 1.9 2.0 1.8 1.4 1.5 1.5 1.4 1.5 1.6 1.5 1.5 1.5 1.4 1.9 2.0 1.9 2.1 1.9 20 1.5 1.4 21 20 20 1.4 21 1.7 1.8
[1] 3mj2.a 2.5 2.0 1.1
0
2.7 2.9 2.7 1.9 2.2 2.2 1.8 1.7 1.7 1.6 2.4 2.5 2.3 1.4 1.5 1.4 1.6 1.4 18 2.2 2.1 24 24 20 2.4 23 1.7 3.3
[1] 3qgw.a 1.8 1.8 1.9 2.7
0
2.1 2.0 2.0 2.3 2.1 2.0 2.9 2.8 2.6 2.0 1.9 1.9 3.2 3.2 3.1 3.2 3.1 19 1.9 2.6 25 24 20 2.4 25 3.4 4.4
[1] 3qgw.b 1.7 1.4 2.0 2.9 2.1
0
1.3 1.5 1.8 1.6 1.6 3.1 3.0 2.7 1.6 1.6 1.6 3.3 3.3 3.3 3.4 3.2 19 1.5 2.0 25 25 20 1.9 25 3.5 4.5
[1] 3qgy.b 1.8 1.2 1.8 2.7 2.0 1.3
0
1.4 1.8 1.6 1.4 2.9 2.9 2.7 2.0 1.9 1.8 3.2 3.2 3.2 3.3 3.1 19 1.5 1.7 25 25 20 1.6 24 3.3 4.3
[1] 3v5j.a 2.0 1.1 1.4 1.9 2.0 1.5 1.4
0
0.6 0.3 0.6 2.2 2.2 1.9 0.7 0.8 0.7 2.5 2.5 2.4 2.5 2.4 19 1.2 0.9 21 21 20 1.2 21 2.4 2.6
[1] 3v5l.d 2.1 1.0 1.5 2.2 2.3 1.8 1.8 0.6
0
0.6 0.8 2.6 2.6 2.3 0.7 1.0 0.8 2.8 2.7 2.7 2.8 2.7 19 1.3 0.9 21 21 20 1.5 21 2.6 3.4
[1] 3v8t.a 2.1 1.0 1.5 2.2 2.1 1.6 1.6 0.3 0.6
0
0.7 2.6 2.6 2.3 0.8 0.9 0.8 2.8 2.7 2.7 2.8 2.7 19 1.2 0.9 19 19 19 1.3 19 2.5 3.2
[1] 3v8w.a 2.0 1.1 1.4 1.8 2.0 1.6 1.4 0.6 0.8 0.7
0
2.2 2.2 1.8 0.9 0.9 0.8 2.5 2.5 2.4 2.5 2.4 19 1.3 1.1 20 20 20 1.4 20 2.2 2.8
[1] 4hct.a 2.8 2.4 1.5 1.7 2.9 3.1 2.9 2.2 2.6 2.6 2.2
0
0.9 1.6 2.7 2.7 2.6 1.7 1.8 1.8 1.9 1.6 18 2.5 2.6 24 24 20 2.8 24 1.6 3.3
[1] 4hcu.a 2.7 2.4 1.6 1.7 2.8 3.0 2.9 2.2 2.6 2.6 2.2 0.9
0
1.3 2.7 2.6 2.6 1.7 1.8 1.7 1.9 1.6 18 2.6 2.6 24 24 20 2.8 24 1.8 3.3
[1] 4hcv.a 2.6 2.2 1.5 1.6 2.6 2.7 2.7 1.9 2.3 2.3 1.8 1.6 1.3
0
2.5 2.4 2.4 1.6 1.6 1.6 1.7 1.5 18 2.3 2.4 24 24 20 2.4 24 2.3 3.5
[1] 4kio.b 2.1 1.1 1.5 2.4 2.0 1.6 2.0 0.7 0.7 0.8 0.9 2.7 2.7 2.5
0
0.7 0.7 2.8 2.8 2.8 2.8 2.7 18 1.2 0.9 19 19 19 1.3 19 2.7 3.1
[1] 4kio.c 2.0 1.1 1.5 2.5 1.9 1.6 1.9 0.8 1.0 0.9 0.9 2.7 2.6 2.4 0.7
0
0.7 2.8 2.8 2.8 2.9 2.7 19 1.3 1.1 22 22 20 1.4 22 2.8 3.7
[1] 4l7s.b 1.9 1.0 1.4 2.3 1.9 1.6 1.8 0.7 0.8 0.8 0.8 2.6 2.6 2.4 0.7 0.7
0
2.8 2.8 2.7 2.8 2.7 19 1.2 1.0 22 22 20 1.4 22 2.7 3.5
[1] 4m0y.a 3.0 2.7 1.9 1.4 3.2 3.3 3.2 2.5 2.8 2.8 2.5 1.7 1.7 1.6 2.8 2.8 2.8
0
0.8 0.7 0.9 0.8 18 2.8 2.7 24 24 20 3.0 23 2.2 3.4
[1] 4m0z.a 3.0 2.7 2.0 1.5 3.2 3.3 3.2 2.5 2.7 2.7 2.5 1.8 1.8 1.6 2.8 2.8 2.8 0.8
0
0.6 0.4 0.4 18 2.8 2.7 24 24 19 2.9 23 2.2 3.5
[1] 4m13.a 3.0 2.6 1.9 1.4 3.1 3.3 3.2 2.4 2.7 2.7 2.4 1.8 1.7 1.6 2.8 2.8 2.7 0.7 0.6
0
0.5 0.5 18 2.7 2.6 24 24 20 2.9 23 2.0 3.4
[1] 4m14.a 3.1 2.7 2.1 1.6 3.2 3.4 3.3 2.5 2.8 2.8 2.5 1.9 1.9 1.7 2.8 2.9 2.8 0.9 0.4 0.5
0
0.5 18 2.8 2.7 24 23 19 3.0 23 2.3 3.5
[1] 4m15.a 3.0 2.6 1.9 1.4 3.1 3.2 3.1 2.4 2.7 2.7 2.4 1.6 1.6 1.5 2.7 2.7 2.7 0.8 0.4 0.5 0.5
0
18 2.7 2.6 24 24 20 2.9 23 2.2 3.5
[1] 4mf0.a 19 19 20 18 19 19 19 19 19 19 19 18 18 18 18 19 19 18 18 18 18 18
0
19 19 1.5 1.6 4.2 19 2.0 19 18
[1] 4mf1.a 1.8 0.5 1.5 2.2 1.9 1.5 1.5 1.2 1.3 1.2 1.3 2.5 2.6 2.3 1.2 1.3 1.2 2.8 2.8 2.7 2.8 2.7 19
0
1.2 20 20 20 1.7 20 2.6 3.2
[1] 4pp9.a 2.2 0.9 1.4 2.1 2.6 2.0 1.7 0.9 0.9 0.9 1.1 2.6 2.6 2.4 0.9 1.1 1.0 2.7 2.7 2.6 2.7 2.6 19 1.2
0
24 24 20 1.4 24 2.7 3.8
[1] 4ppa.a 25 20 21 24 25 25 25 21 21 19 20 24 24 24 19 22 22 24 24 24 24 24 1.5 20 24
0
0.8 4.5 20 2.2 24 23
[1] 4ppb.a 24 20 20 24 24 25 25 21 21 19 20 24 24 24 19 22 22 24 24 24 23 24 1.6 20 24 0.8
0
4.7 20 2.1 24 23
[1] 4ppc.a 20 20 20 20 20 20 20 20 20 19 20 20 20 20 19 20 20 20 19 20 19 20 4.2 20 20 4.5 4.7
0
20 4.8 20 20
[1] 4pqn.a 2.4 1.4 1.4 2.4 2.4 1.9 1.6 1.2 1.5 1.3 1.4 2.8 2.8 2.4 1.3 1.4 1.4 3.0 2.9 2.9 3.0 2.9 19 1.7 1.4 20 20 20
0
20 2.8 3.5
[1] 4qd6.b 25 20 21 23 25 25 24 21 21 19 20 24 24 24 19 22 22 23 23 23 23 23 2.0 20 24 2.2 2.1 4.8 20
0
23 23
[2] 3t9t.a 3.1 2.5 1.7 1.7 3.4 3.5 3.3 2.4 2.6 2.5 2.2 1.6 1.8 2.3 2.7 2.8 2.7 2.2 2.2 2.0 2.3 2.2 19 2.6 2.7 24 24 20 2.8 23
0
3.3
[3] 4rfm.a 4.1 2.6 1.8 3.3 4.4 4.5 4.3 2.6 3.4 3.2 2.8 3.3 3.3 3.5 3.1 3.7 3.5 3.4 3.5 3.4 3.5 3.5 18 3.2 3.8 23 23 20 3.5 23 3.3
0
[Binding site full-atom RMSD matrix]







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