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CP3A4_HUMAN_23_503_catalytic

Cytochrome P450 3A4 [Cytochrome P450 family]

Composition of the binding site

Protein chains monomer
A1 (CP3A4_HUMAN):50, 53, 57, 76, 105:109, 111, 114, 119, 120, 203, 208:221, 223, 224, 239:242, 300, 301, 304, 305, 308, 309, 369:374, 442, 479:48450, 53, 57, 76, 105:109, 111, 114, 119, 120, 203, 208:221, 223, 224, 239:242, 300, 301, 304, 305, 308, 309, 369:374, 442, 479:484
Cofactors (cF):hem
Metals (Me):Fe

Full PDB list

1tqn, 1w0e, 1w0f, 1w0g, 2j0d, 2v0m, 3nxu, 3tjs, 3ua1, 4d6z, 4d75, 4d78, 4d7d, 4i3q, 4i4g, 4i4h, 4k9t, 4k9u, 4k9v, 4k9w, 4k9x, 4ny4, 5a1p, 5a1r, 5g5j, 5te8, 5vc0, 5vcc, 5vcd, 5vce, 5vcg, 6bcz, 6bd5, 6bd6, 6bd7, 6bd8, 6bdh, 6bdi, 6bdk, 6bdm (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF Me
Y
5
3
F
5
7
D
7
6
R
1
0
5
R
1
0
6
P
1
0
7
F
1
0
8
V
1
1
1
M
1
1
4
S
1
1
9
I
1
2
0
K
2
0
8
K
2
0
9
L
2
1
0
L
2
1
1
R
2
1
2
F
2
1
3
D
2
1
4
F
2
1
5
L
2
1
6
D
2
1
7
F
2
1
9
F
2
2
0
L
2
2
1
I
2
2
3
T
2
2
4
V
2
4
0
F
2
4
1
I
3
0
0
I
3
0
1
F
3
0
4
A
3
0
5
E
3
0
8
T
3
0
9
I
3
6
9
A
3
7
0
M
3
7
1
R
3
7
2
E
3
7
4
G
4
8
1
L
4
8
2
Q
4
8
4
[1]1w0e.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]1w0g.a myt17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]3ua1.a 08y43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]4d6z.a pk923 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]4k9v.a 6aw38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]4ny4.a 2qh34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]5a1r.a str23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]5g5j.a mf89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]5vcd.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]5vce.a rit50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]5vcg.a 08y43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]6bcz.a d7y27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]6bd5.a d7m29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]6bd6.a 80k30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]6bd7.a d7j34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]6bd8.a d8136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]6bdi.a dej37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[1]6bdk.a dj139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]3nxu.a rit50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]4d78.a j9k30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]4d7d.a pkt33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]4i4g.a z8z49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]4i4h.a z9z50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[2]4k9w.a 7aw45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[3]3tjs.a d0r41 . . . . . . . . . . . . . . . - - - - - - . . . . . . . . . . . . . . . . . . . . . hem Fe
[3]4k9u.a 5aw,5aw74 . . . . . . . . . . . . . - - - - - - . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[3]6bdh.a dev37 . . . . . . . . . . . - - - - - - - - - . . . . . . . . . . . . . . . . . . . . . . hem Fe
[4]4k9t.a 1rd,1rd70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[4]6bdm.a y8340 . . . . . . . . . . . . . - - - . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[5]2v0m.a kln,kln72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[6]4k9x.a 8aw35 . . . . . . . . . . . . . . . - - . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[7]2j0d.a ery51 . . . . . . . . . . . . . . . . . - - - - . . . . . . . . . . . . . . . . . . . . . hem Fe
[8]5te8.a 08j23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe

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 cF Me
I
5
0
Y
5
3
F
5
7
D
7
6
R
1
0
5
R
1
0
6
P
1
0
7
F
1
0
8
G
1
0
9
V
1
1
1
M
1
1
4
S
1
1
9
I
1
2
0
F
2
0
3
K
2
0
8
K
2
0
9
L
2
1
0
L
2
1
1
R
2
1
2
F
2
1
3
D
2
1
4
F
2
1
5
L
2
1
6
D
2
1
7
P
2
1
8
F
2
1
9
F
2
2
0
L
2
2
1
I
2
2
3
T
2
2
4
C
2
3
9
V
2
4
0
F
2
4
1
P
2
4
2
I
3
0
0
I
3
0
1
F
3
0
4
A
3
0
5
E
3
0
8
T
3
0
9
I
3
6
9
A
3
7
0
M
3
7
1
R
3
7
2
L
3
7
3
E
3
7
4
C
4
4
2
L
4
7
9
G
4
8
0
G
4
8
1
L
4
8
2
L
4
8
3
Q
4
8
4
[1]1w0e.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . . . * . . . * * . . . . . . . . . . . . * . . hem Fe
[1]1w0g.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . . . * . . . * . . . . . . . . . . . . . * . . hem Fe
[1]3ua1.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . . . * . . . * . . . . . . . . . . . . . * . . hem Fe
[1]4d6z.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . . . * . . . * . * . . . . . . . . . . . * . . hem Fe
[1]4k9v.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . . . * . . . * . * . . . . . . . . . . . * . . hem Fe
[1]4ny4.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . . . * . . . * . . . * . . . . . . . . . * . . hem Fe
[1]5a1r.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . . . * . . . * . * . . . . . . . . . . . * . . hem Fe
[1]5g5j.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . . . * . . . * * * . . . . . . . . . . . * . . hem Fe
[1]5vcd.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . T . * . . . * * * . . . . . . . . . . . * . . hem Fe
[1]5vce.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . T . * . . . . . . . * . . . . . . . . . * . . hem Fe
[1]5vcg.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . T . * . . . * * . . . . . . . . . . . . * . . hem Fe
[1]6bcz.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . . . * . . . * . . . . . . . . . . . . . * . . hem Fe
[1]6bd5.a . . . . . . . * . . . . . . . . . . * * * * * * . . . * . . . . * . . . * . * . . . . . . . . . . . * . . hem Fe
[1]6bd6.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . . . * . . . . . * . . . . . . . . . . . * . . hem Fe
[1]6bd7.a . . . . . . . * . . . . . . . . . . * * * * * * . . . * . . . . * . . . * . * . . . . . . . . . . . * . . hem Fe
[1]6bd8.a . . . . . . . * . . . . . . . . . . * * * * * * . . . * * . . . * . . . . . * . . . . . . . . . . . * . . hem Fe
[1]6bdi.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . . . * . . . * . * . . . . . . . . . . . * . . hem Fe
[1]6bdk.a . . . . . . . * . . . . . . . . . * * * * * * * . . . * . . . . * . . . * . * . . . . . . . . . . . * . . hem Fe
[2]3nxu.a . . . . . . . * . . . . . . . . . * * * * * . . . . * . . . . . . . . . . . . . * . . . . . . . . . * . . hem Fe
[2]4d78.a . . . . . . . * . . . . . . . . . * * * * * . . . . . . . * . . . . . . . . . . . . . . . . . . . . * . . hem Fe
[2]4d7d.a . . . . . . . * . . . . . . . . . * * * * * . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . hem Fe
[2]4i4g.a . . . . . . . * . . . . . . . . . * * * * * . . . . * * . . . . . . . . . . . . * . . . . . . . . . * . . hem Fe
[2]4i4h.a . . . . . . . * . . . . . . . . * * * * * * . . . . * . . . . . . . . . . . . . * . . . . . . . . . * . . hem Fe
[2]4k9w.a . . . . . . . * . . . . . . . . * * * * * * . . . . * . . . . . . . . . . . . . * . . . . . . . . . * . . hem Fe
[3]3tjs.a . . . . . . . * . . . . . . . . . * - - - - - - - * * * . . . . . . . . . . . . * . . . . . . . . . * . . hem Fe
[3]4k9u.a . . . . . . . * . . . . . . . . - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . hem Fe
[3]6bdh.a . . . . . . . * . . . . . . - - - - - - - - - * . . . . . . . . . . . . . . . . . . . . . . . . . . * . . hem Fe
[4]4k9t.a . . . . . . . * . . . . . . . . . . * * * * * * . . . * . . . . * . . . . . . . . . . . . . . . . . * . . hem Fe
[4]6bdm.a . . . . . . . * . . . . . . . . - - - * * * * * . . . * . . . . . . . . . . . . . . . . . . . . . . * . . hem Fe
[5]2v0m.a . . . . . . . * . . . . . . . . . * * * * * . . . . . . . . . . . . . . . . . . . . . . . . . . . * * . . hem Fe
[6]4k9x.a . . . . . . . * . . . . . - . . * * - - * * . . . . . * . * . . . . . . . . . . * . . . . . . . . . * . . hem Fe
[7]2j0d.a . . . . . . . * . . . . . . . . . . * * - - - - - . . . . . . . . . . . * * . . . . . . . . . . . . * . . hem Fe
[8]5te8.a . . . . . . . . . . . . . . . . . . . . * * * * * * . . . . . . . . . . * . . . . . . . . . . . . * * . . hem Fe

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
1w0e.a is apo
1w0g.a:myt
3ua1.a:08y
4d6z.a:pk9
4k9v.a:6aw
4ny4.a:2qh
5a1r.a:str
5g5j.a:mf8
5vcd.a is apo
5vce.a:rit
5vcg.a:08y
6bcz.a:d7y
6bd5.a:d7m
6bd6.a:80k
6bd7.a:d7j
6bd8.a:d81
6bdi.a:dej
6bdk.a:dj1
3nxu.a:rit
4d78.a:j9k
4d7d.a:pkt
4i4g.a:z8z
4i4h.a:z9z
4k9w.a:7aw
3tjs.a:d0r
4k9u.a:5aw
6bdh.a:dev
4k9t.a:1rd
6bdm.a:y83
2v0m.a:kln
4k9x.a:8aw
2j0d.a:ery
5te8.a:08j
[1] 1w0e.a
-
0.1 0.8 0.4 0.7 2.9 0.3 0 - 9.8 0.4 0.8 1.0 4.9 1.1 5.3 0.7 0.8 8.7 5.6 5.1 7.5 7.6 6.5 6.6 19 6.3 19 5.4 16 4.6 11 0.3
[1] 1w0g.a -
0
0.6 0.1 0.3 2.5 0.2 0 - 9.2 0.7 0.4 0.7 4.6 0.5 4.8 0.4 0.6 7.3 4.2 4.7 6.8 6.5 6.6 5.9 19 5.8 18 5.3 15 4.8 11 0.1
[1] 3ua1.a - 0.2
0
2.9 0.5 2.5 0.3 0 - 8.7 0.1 0.1 0.3 5.1 1.9 4.9 2.8 2.1 7.7 7.1 6.7 5.9 6.0 5.8 6.6 20 8.6 18 5.0 15 4.4 10 0.2
[1] 4d6z.a - 0 0.2
0
0.2 2.0 0.2 0 - 8.7 0.5 0.2 0.1 4.2 0.4 4.4 0.3 0.3 7.2 3.8 4.4 5.7 6.3 5.5 5.2 19 4.9 18 4.8 15 3.6 10 0.1
[1] 4k9v.a - 0 0.5 0.2
0
2.1 0.4 0 - 9.3 0.4 0.3 0.2 4.4 0.4 4.7 0.4 0.6 6.7 3.7 4.0 6.5 7.2 5.8 5.5 20 5.4 17 5.0 13 4.9 11 0.5
[1] 4ny4.a - 0 0.1 0.4 0
0
0.3 0 - 5.0 0.2 0.2 0.2 3.3 0.4 2.0 0.5 0.6 4.0 2.0 2.8 3.7 3.6 3.4 2.9 18 4.5 14 3.1 12 1.7 8.9 0.9
[1] 5a1r.a - 2.1 1.7 1.7 1.3 4.2
0
0.1 - 9.8 2.2 1.4 1.4 5.6 1.8 6.5 2.2 1.8 8.7 7.2 7.6 6.8 7.9 6.4 8.3 22 8.0 20 6.4 18 6.1 13 1.7
[1] 5g5j.a - 1.1 1.5 1.6 1.2 3.8 0.1
0
- 9.5 1.8 1.0 1.5 5.7 1.1 6.7 2.1 1.9 8.6 6.8 7.4 6.8 8.3 6.3 8.5 22 7.5 20 6.5 18 6.0 13 1.4
[1] 5vcd.a - 1.1 0.9 1.8 1.2 3.4 0.4 0
-
9.6 1.4 1.0 1.1 5.7 1.7 6.2 2.5 1.9 8.4 6.8 6.8 5.9 7.5 6.7 7.3 22 7.8 20 5.9 18 5.9 12 1.2
[1] 5vce.a - 0.7 3.8 1.8 2.5 0.7 0.4 0.1 -
0.2
4.6 0.6 0.6 0.6 1.4 2.2 3.4 2.6 3.2 4.2 5.3 3.2 4.9 4.7 2.4 18 3.8 16 1.5 13 1.4 9.6 3.3
[1] 5vcg.a - 0.1 0.1 3.5 0.9 3.0 0.4 0 - 9.0
0.1
0.2 0.4 5.3 2.6 5.3 3.5 2.6 7.8 7.2 6.9 6.3 7.0 6.1 6.0 19 8.9 18 5.6 15 4.9 10 0.4
[1] 6bcz.a - 0 0.1 2.4 0.3 2.8 0.3 0 - 8.7 0.4
0
0.1 4.5 1.5 5.1 2.7 1.9 7.7 6.9 7.3 6.6 6.8 5.2 6.1 20 7.9 18 4.6 15 4.9 10 0.4
[1] 6bd5.a - 0 0.2 1.6 0.3 2.2 0.1 0 - 7.5 0.4 0
0
4.1 0.7 4.1 1.4 0.9 7.0 5.2 4.9 5.6 6.2 4.8 5.3 19 7.6 18 4.2 15 4.0 10 0.3
[1] 6bd6.a - 0 0.4 1.6 0.7 0.4 0.2 0 - 4.0 0.3 0 0.2
0
0.7 0.5 1.5 0.8 3.4 1.7 2.5 2.6 3.1 2.2 2.3 21 4.0 14 0.3 11 1.6 9.9 0.5
[1] 6bd7.a - 0 0.1 0.3 0.2 2.3 0 0 - 8.0 0.1 0 0.1 3.7
0.1
4.5 0.7 0.2 7.6 4.1 4.0 6.0 6.3 5.0 5.7 20 6.1 16 3.9 14 4.3 9.8 0.1
[1] 6bd8.a - 0 0.3 0.1 0.2 0.3 0.4 0 - 4.4 0.3 0 0 0.1 0.2
0
0.4 0.2 3.7 1.3 1.6 3.5 3.3 2.3 2.0 18 2.6 12 0.3 10 1.6 10 0.3
[1] 6bdi.a - 0 0.1 0.2 0.3 2.3 0.2 0 - 7.8 0 0 0.1 4.0 0.2 4.3
0.1
0.1 7.2 3.7 4.3 5.7 6.4 4.8 5.4 20 6.4 17 4.5 15 4.1 9.8 0.1
[1] 6bdk.a - 0 0.1 0.6 0.2 2.3 0.1 0 - 7.7 0.1 0 0 4.0 0.1 4.5 0.5
0.1
7.6 4.2 4.4 6.3 6.3 5.2 5.5 20 7.0 17 4.5 15 3.6 9.6 0.1
[2] 3nxu.a - 0 0.8 0.4 0.1 0.2 5.2 0 - 2.1 0.7 0.4 0.5 0.8 0.8 1.4 0.9 1.8
0
1.0 1.3 0.2 0.8 0.3 1.4 15 2.7 11 1.5 6.8 0.2 8.1 1.3
[2] 4d78.a - 0.1 1.1 0.3 0.5 0.3 4.3 0 - 4.3 0.8 0.3 0.4 0.7 1.0 1.0 0.2 0.8 2.2
0
0 1.1 1.6 3.0 1.3 17 0.3 14 1.8 8.7 0.2 9.4 0.4
[2] 4d7d.a - 0.1 1.4 0.5 0.7 0.6 4.9 0 - 4.0 1.0 0.7 0.7 1.9 1.2 1.3 0.5 1.4 2.9 0.1
0
1.6 2.5 4.0 1.8 19 0.5 13 2.4 7.9 0.7 12 0.4
[2] 4i4g.a - 0 0.6 0.1 0.5 0.3 5.5 0 - 2.9 0.9 0 0.1 0.5 0.4 0.5 0.3 0.6 0.7 0.1 0
0
0.4 0.3 0.6 17 0.8 9.8 1.0 5.3 0.2 7.3 0.7
[2] 4i4h.a - 0 0.3 0.2 0.2 0.1 5.2 0 - 2.6 0.4 0 0 0.8 0.4 0.6 0.3 0.6 0.5 0.2 0.4 0.5
0.2
0.7 0.4 16 0.7 11 1.0 4.8 0.2 6.8 0.9
[2] 4k9w.a - 0 0.7 0.4 0.3 0.4 5.7 0 - 2.0 0.6 0.2 0.4 0.9 1.3 1.1 1.0 1.3 0.7 1.1 1.8 0.3 0.7
0
0.9 15 2.3 8.6 1.2 4.5 0.4 5.6 1.4
[3] 3tjs.a - 0.1 0.3 0.4 0.2 0.1 2.4 0 - 0.3 0.2 0 0 0.3 0.5 0 0.5 0.8 0.6 0.1 0.1 0.2 0.3 0.2
0
6.0 0.4 4.2 0.5 2.9 0 1.5 0.7
[3] 4k9u.a - 0 0.3 0.8 0.4 0.3 0.7 0 - 0.7 0.5 0.3 0.6 0.3 0.6 0.4 1.0 0.8 0.5 1.1 1.0 0 0.1 0 0.5
0.3
2.5 3.3 0.5 2.3 0 1.1 0.1
[3] 6bdh.a - 0 0.3 0.1 0.1 0.1 0.6 0 - 1.1 0.3 0 0.2 0.1 0.5 0.1 0.3 0.4 0.9 0.2 0.2 0.1 0.4 0.4 0.5 4.8
0
4.4 0.4 2.0 0.1 1.9 0.5
[4] 4k9t.a - 0.1 3.9 0.9 2.0 0.9 3.7 0 - 4.9 3.9 0 0 0.2 0.6 0.9 0.8 0.3 2.5 1.7 1.5 2.9 1.2 1.4 2.8 18 3.7
0.2
0.9 5.2 1.0 4.7 0.3
[4] 6bdm.a - 0 0.1 0.1 0.1 0 3.5 0 - 3.9 0.2 0 0 0 0.2 0 0.2 0.3 2.3 0.9 0.7 1.9 2.1 2.4 1.0 14 0.5 12
0
8.0 1.4 7.4 0.5
[5] 2v0m.a - 0 0.1 2.6 1.1 0.2 3.9 0 - 0.7 0.1 0 0.2 0.5 1.5 1.0 2.6 1.8 0.5 1.8 1.8 0.1 0 0.5 1.4 16 4.5 3.9 0.9
0.2
0 5.8 0.6
[6] 4k9x.a - 0.1 0.6 2.2 1.2 0.1 1.5 0 - 1.0 0.4 0.1 0 1.0 1.8 1.1 2.0 1.6 1.3 2.0 1.7 0.6 1.1 0.8 1.2 9.3 3.9 9.3 1.5 5.5
0
3.8 1.4
[7] 2j0d.a - 0.2 0.6 1.3 0.8 1.3 1.3 0 - 3.7 0.2 0.3 0.3 4.3 0.7 2.7 1.0 0.7 3.8 3.9 4.3 3.6 2.8 2.5 4.1 5.4 7.2 4.4 5.1 3.7 2.1
0
0.3
[8] 5te8.a - 0.7 8.2 6.0 6.9 4.8 1.0 0.5 - 12 8.1 2.6 2.8 7.5 4.8 6.4 5.1 5.3 13 8.0 8.2 12 12 12 10 12 11 18 11 20 7.9 15
0.1
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (8 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
1w0e.a
1w0g.a
3ua1.a
4d6z.a
4k9v.a
4ny4.a
5a1r.a
5g5j.a
5vcd.a
5vce.a
5vcg.a
6bcz.a
6bd5.a
6bd6.a
6bd7.a
6bd8.a
6bdi.a
6bdk.a
3nxu.a
4d78.a
4d7d.a
4i4g.a
4i4h.a
4k9w.a
3tjs.a
4k9u.a
6bdh.a
4k9t.a
6bdm.a
2v0m.a
4k9x.a
2j0d.a
5te8.a
[1] 1w0e.a
0
.06 .10 .08 .13 .15 .11 .09 .14 .25 .11 .10 .11 .26 .11 .19 .10 .11 .45 .43 .52 .49 .43 .49 .68 .60 .58 .30 .29 .55 .55 .51 .62
[1] 1w0g.a .06
0
.11 .06 .10 .13 .11 .11 .13 .22 .11 .09 .10 .24 .09 .15 .08 .09 .43 .41 .49 .47 .42 .48 .67 .59 .57 .28 .28 .54 .52 .51 .65
[1] 3ua1.a .10 .11
0
.09 .13 .17 .09 .11 .11 .21 .08 .09 .11 .24 .12 .21 .10 .09 .41 .38 .45 .43 .39 .47 .67 .60 .60 .29 .26 .53 .54 .52 .60
[1] 4d6z.a .08 .06 .09
0
.11 .14 .09 .12 .11 .23 .12 .07 .06 .21 .06 .15 .05 .06 .46 .42 .49 .47 .44 .51 .68 .60 .59 .28 .27 .55 .54 .51 .63
[1] 4k9v.a .13 .10 .13 .11
0
.14 .16 .16 .17 .24 .14 .14 .13 .25 .11 .19 .11 .11 .41 .41 .47 .46 .40 .47 .67 .58 .57 .26 .30 .53 .50 .50 .63
[1] 4ny4.a .15 .13 .17 .14 .14
0
.19 .18 .19 .20 .16 .16 .14 .19 .17 .18 .14 .14 .35 .35 .42 .39 .33 .40 .60 .58 .58 .27 .28 .48 .45 .54 .70
[1] 5a1r.a .11 .11 .09 .09 .16 .19
0
.07 .08 .19 .11 .10 .11 .25 .11 .20 .10 .09 .44 .44 .45 .45 .41 .51 .71 .65 .64 .34 .32 .58 .59 .55 .67
[1] 5g5j.a .09 .11 .11 .12 .16 .18 .07
0
.10 .22 .10 .13 .15 .27 .14 .23 .13 .13 .44 .45 .47 .47 .41 .51 .71 .67 .63 .35 .35 .60 .58 .56 .68
[1] 5vcd.a .14 .13 .11 .11 .17 .19 .08 .10
0
.19 .08 .12 .13 .25 .13 .22 .10 .12 .46 .45 .47 .48 .43 .53 .73 .66 .64 .35 .31 .60 .59 .54 .64
[1] 5vce.a .25 .22 .21 .23 .24 .20 .19 .22 .19
0
.19 .22 .21 .20 .24 .18 .22 .21 .32 .36 .35 .39 .33 .41 .62 .58 .56 .25 .25 .52 .48 .67 .77
[1] 5vcg.a .11 .11 .08 .12 .14 .16 .11 .10 .08 .19
0
.11 .13 .26 .14 .22 .12 .12 .43 .41 .47 .45 .41 .49 .67 .62 .60 .31 .29 .56 .54 .52 .62
[1] 6bcz.a .10 .09 .09 .07 .14 .16 .10 .13 .12 .22 .11
0
.07 .18 .07 .16 .07 .07 .45 .41 .45 .46 .43 .50 .69 .64 .61 .29 .28 .56 .55 .55 .65
[1] 6bd5.a .11 .10 .11 .06 .13 .14 .11 .15 .13 .21 .13 .07
0
.18 .05 .13 .05 .05 .44 .39 .47 .46 .42 .49 .67 .61 .59 .28 .25 .54 .53 .54 .66
[1] 6bd6.a .26 .24 .24 .21 .25 .19 .25 .27 .25 .20 .26 .18 .18
0
.20 .13 .21 .18 .34 .29 .33 .35 .31 .37 .58 .59 .56 .29 .23 .43 .44 .65 .79
[1] 6bd7.a .11 .09 .12 .06 .11 .17 .11 .14 .13 .24 .14 .07 .05 .20
0
.13 .05 .04 .45 .42 .49 .46 .43 .49 .69 .63 .61 .31 .27 .56 .57 .53 .66
[1] 6bd8.a .19 .15 .21 .15 .19 .18 .20 .23 .22 .18 .22 .16 .13 .13 .13
0
.14 .13 .37 .35 .41 .39 .36 .42 .63 .54 .51 .23 .19 .47 .49 .59 .73
[1] 6bdi.a .10 .08 .10 .05 .11 .14 .10 .13 .10 .22 .12 .07 .05 .21 .05 .14
0
.04 .45 .41 .49 .46 .43 .50 .69 .61 .59 .30 .27 .54 .55 .52 .63
[1] 6bdk.a .11 .09 .09 .06 .11 .14 .09 .13 .12 .21 .12 .07 .05 .18 .04 .13 .04
0
.42 .39 .45 .44 .41 .47 .68 .61 .59 .29 .26 .54 .54 .53 .65
[2] 3nxu.a .45 .43 .41 .46 .41 .35 .44 .44 .46 .32 .43 .45 .44 .34 .45 .37 .45 .42
0
.20 .26 .19 .09 .17 .47 .50 .54 .37 .40 .30 .33 .54 .82
[2] 4d78.a .43 .41 .38 .42 .41 .35 .44 .45 .45 .36 .41 .41 .39 .29 .42 .35 .41 .39 .20
0
.17 .14 .16 .22 .44 .48 .51 .34 .37 .27 .28 .57 .83
[2] 4d7d.a .52 .49 .45 .49 .47 .42 .45 .47 .47 .35 .47 .45 .47 .33 .49 .41 .49 .45 .26 .17
0
.15 .19 .25 .47 .51 .54 .39 .43 .28 .37 .60 .82
[2] 4i4g.a .49 .47 .43 .47 .46 .39 .45 .47 .48 .39 .45 .46 .46 .35 .46 .39 .46 .44 .19 .14 .15
0
.13 .15 .41 .46 .49 .43 .41 .24 .32 .54 .81
[2] 4i4h.a .43 .42 .39 .44 .40 .33 .41 .41 .43 .33 .41 .43 .42 .31 .43 .36 .43 .41 .09 .16 .19 .13
0
.15 .43 .46 .50 .37 .38 .25 .29 .53 .81
[2] 4k9w.a .49 .48 .47 .51 .47 .40 .51 .51 .53 .41 .49 .50 .49 .37 .49 .42 .50 .47 .17 .22 .25 .15 .15
0
.42 .42 .46 .45 .42 .25 .30 .47 .77
[3] 3tjs.a .68 .67 .67 .68 .67 .60 .71 .71 .73 .62 .67 .69 .67 .58 .69 .63 .69 .68 .47 .44 .47 .41 .43 .42
0
.20 .25 .52 .51 .42 .27 .41 .74
[3] 4k9u.a .60 .59 .60 .60 .58 .58 .65 .67 .66 .58 .62 .64 .61 .59 .63 .54 .61 .61 .50 .48 .51 .46 .46 .42 .20
0
.13 .42 .40 .42 .30 .26 .65
[3] 6bdh.a .58 .57 .60 .59 .57 .58 .64 .63 .64 .56 .60 .61 .59 .56 .61 .51 .59 .59 .54 .51 .54 .49 .50 .46 .25 .13
0
.47 .39 .50 .37 .34 .63
[4] 4k9t.a .30 .28 .29 .28 .26 .27 .34 .35 .35 .25 .31 .29 .28 .29 .31 .23 .30 .29 .37 .34 .39 .43 .37 .45 .52 .42 .47
0
.22 .46 .37 .56 .66
[4] 6bdm.a .29 .28 .26 .27 .30 .28 .32 .35 .31 .25 .29 .28 .25 .23 .27 .19 .27 .26 .40 .37 .43 .41 .38 .42 .51 .40 .39 .22
0
.48 .38 .59 .63
[5] 2v0m.a .55 .54 .53 .55 .53 .48 .58 .60 .60 .52 .56 .56 .54 .43 .56 .47 .54 .54 .30 .27 .28 .24 .25 .25 .42 .42 .50 .46 .48
0
.37 .43 .69
[6] 4k9x.a .55 .52 .54 .54 .50 .45 .59 .58 .59 .48 .54 .55 .53 .44 .57 .49 .55 .54 .33 .28 .37 .32 .29 .30 .27 .30 .37 .37 .38 .37
0
.51 .71
[7] 2j0d.a .51 .51 .52 .51 .50 .54 .55 .56 .54 .67 .52 .55 .54 .65 .53 .59 .52 .53 .54 .57 .60 .54 .53 .47 .41 .26 .34 .56 .59 .43 .51
0
.57
[8] 5te8.a .62 .65 .60 .63 .63 .70 .67 .68 .64 .77 .62 .65 .66 .79 .66 .73 .63 .65 .82 .83 .82 .81 .81 .77 .74 .65 .63 .66 .63 .69 .71 .57
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 2.3 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
1w0e.a
1w0g.a
3ua1.a
4d6z.a
4k9v.a
4ny4.a
5a1r.a
5g5j.a
5vcd.a
5vce.a
5vcg.a
6bcz.a
6bd5.a
6bd6.a
6bd7.a
6bd8.a
6bdi.a
6bdk.a
3nxu.a
4d78.a
4d7d.a
4i4g.a
4i4h.a
4k9w.a
3tjs.a
4k9u.a
6bdh.a
4k9t.a
6bdm.a
2v0m.a
4k9x.a
2j0d.a
5te8.a
[1] 1w0e.a
0
0.4 0.6 0.5 0.8 0.7 0.5 0.5 0.7 0.8 0.6 0.6 0.7 0.8 0.7 0.8 0.6 0.6 2.5 2.3 2.1 2.4 2.3 2.4 1.7 1.8 2.2 2.0 1.2 2.8 2.2 2.4 4.2
[1] 1w0g.a 0.4
0
0.6 0.5 0.7 0.6 0.5 0.5 0.7 0.8 0.6 0.6 0.7 0.8 0.6 0.8 0.6 0.6 2.4 2.2 2.0 2.3 2.2 2.3 1.6 1.7 2.1 1.9 1.2 2.6 2.1 2.3 4.2
[1] 3ua1.a 0.6 0.6
0
0.5 0.8 0.8 0.6 0.6 0.5 0.8 0.5 0.5 0.5 0.8 0.6 0.7 0.5 0.5 2.5 2.1 2.0 2.3 2.1 2.3 1.6 1.7 2.0 2.0 1.1 2.6 2.1 2.3 4.2
[1] 4d6z.a 0.5 0.5 0.5
0
0.6 0.6 0.3 0.4 0.7 0.8 0.4 0.6 0.7 0.8 0.7 0.8 0.6 0.7 2.4 2.1 2.0 2.3 2.1 2.3 1.6 1.7 2.1 2.0 1.2 2.7 2.1 2.4 4.3
[1] 4k9v.a 0.8 0.7 0.8 0.6
0
0.6 0.6 0.6 1.0 0.9 0.7 0.8 0.9 0.9 0.8 0.9 0.8 0.8 2.3 2.1 1.9 2.2 2.1 2.2 1.5 1.6 2.1 1.8 1.2 2.6 2.0 2.3 4.2
[1] 4ny4.a 0.7 0.6 0.8 0.6 0.6
0
0.7 0.7 0.9 0.7 0.7 0.8 0.8 0.7 0.7 0.8 0.7 0.8 2.3 2.0 1.8 2.1 2.0 2.1 1.4 1.6 2.0 1.9 1.1 2.5 2.0 2.3 4.3
[1] 5a1r.a 0.5 0.5 0.6 0.3 0.6 0.7
0
0.3 0.7 0.8 0.5 0.7 0.7 0.8 0.7 0.9 0.6 0.7 2.5 2.2 2.0 2.3 2.2 2.3 1.6 1.7 2.1 2.0 1.2 2.7 2.1 2.5 4.3
[1] 5g5j.a 0.5 0.5 0.6 0.4 0.6 0.7 0.3
0
0.8 0.8 0.6 0.7 0.7 0.8 0.7 0.8 0.6 0.6 2.5 2.2 2.0 2.3 2.2 2.3 1.7 1.7 2.1 2.0 1.2 2.7 2.2 2.5 4.3
[1] 5vcd.a 0.7 0.7 0.5 0.7 1.0 0.9 0.7 0.8
0
0.7 0.6 0.5 0.5 0.8 0.6 0.7 0.5 0.5 2.5 2.2 2.1 2.4 2.3 2.4 1.7 1.9 2.1 2.1 1.2 2.6 2.2 2.3 4.2
[1] 5vce.a 0.8 0.8 0.8 0.8 0.9 0.7 0.8 0.8 0.7
0
0.8 0.6 0.6 0.6 0.7 0.7 0.6 0.7 2.3 2.0 1.9 2.2 2.0 2.1 1.4 1.7 1.9 2.1 1.0 2.5 2.0 2.5 4.3
[1] 5vcg.a 0.6 0.6 0.5 0.4 0.7 0.7 0.5 0.6 0.6 0.8
0
0.6 0.6 0.8 0.6 0.8 0.6 0.7 2.4 2.1 2.0 2.3 2.1 2.2 1.6 1.7 2.1 2.0 1.2 2.6 2.1 2.3 4.2
[1] 6bcz.a 0.6 0.6 0.5 0.6 0.8 0.8 0.7 0.7 0.5 0.6 0.6
0
0.2 0.5 0.3 0.5 0.2 0.2 2.4 2.1 2.0 2.3 2.1 2.3 1.5 1.7 2.0 2.0 1.0 2.5 2.1 2.3 4.2
[1] 6bd5.a 0.7 0.7 0.5 0.7 0.9 0.8 0.7 0.7 0.5 0.6 0.6 0.2
0
0.6 0.3 0.5 0.3 0.3 2.5 2.1 2.0 2.3 2.2 2.3 1.6 1.7 2.0 2.1 1.0 2.5 2.1 2.3 4.2
[1] 6bd6.a 0.8 0.8 0.8 0.8 0.9 0.7 0.8 0.8 0.8 0.6 0.8 0.5 0.6
0
0.5 0.5 0.5 0.6 2.3 2.0 1.8 2.2 2.1 2.2 1.4 1.7 2.0 2.0 0.9 2.5 2.0 2.3 4.2
[1] 6bd7.a 0.7 0.6 0.6 0.7 0.8 0.7 0.7 0.7 0.6 0.7 0.6 0.3 0.3 0.5
0
0.5 0.2 0.2 2.5 2.1 2.0 2.3 2.2 2.3 1.5 1.7 2.0 2.0 1.0 2.5 2.1 2.4 4.2
[1] 6bd8.a 0.8 0.8 0.7 0.8 0.9 0.8 0.9 0.8 0.7 0.7 0.8 0.5 0.5 0.5 0.5
0
0.5 0.5 2.4 2.0 1.9 2.2 2.1 2.2 1.5 1.6 2.0 2.0 0.9 2.5 2.0 2.3 4.2
[1] 6bdi.a 0.6 0.6 0.5 0.6 0.8 0.7 0.6 0.6 0.5 0.6 0.6 0.2 0.3 0.5 0.2 0.5
0
0.2 2.5 2.1 2.0 2.3 2.2 2.3 1.6 1.7 2.0 2.0 1.0 2.6 2.1 2.3 4.2
[1] 6bdk.a 0.6 0.6 0.5 0.7 0.8 0.8 0.7 0.6 0.5 0.7 0.7 0.2 0.3 0.6 0.2 0.5 0.2
0
2.5 2.1 2.0 2.3 2.2 2.3 1.6 1.7 2.0 2.0 1.0 2.6 2.1 2.4 4.3
[2] 3nxu.a 2.5 2.4 2.5 2.4 2.3 2.3 2.5 2.5 2.5 2.3 2.4 2.4 2.5 2.3 2.5 2.4 2.5 2.5
0
1.2 1.5 1.0 0.8 0.7 1.4 1.2 2.1 2.8 2.2 1.3 1.0 2.6 5.0
[2] 4d78.a 2.3 2.2 2.1 2.1 2.1 2.0 2.2 2.2 2.2 2.0 2.1 2.1 2.1 2.0 2.1 2.0 2.1 2.1 1.2
0
0.8 0.8 0.9 1.1 0.9 0.9 1.8 2.7 1.8 1.5 0.9 2.6 5.0
[2] 4d7d.a 2.1 2.0 2.0 2.0 1.9 1.8 2.0 2.0 2.1 1.9 2.0 2.0 2.0 1.8 2.0 1.9 2.0 2.0 1.5 0.8
0
1.1 1.1 1.3 0.9 1.1 1.7 2.7 1.6 1.8 1.2 2.7 5.0
[2] 4i4g.a 2.4 2.3 2.3 2.3 2.2 2.1 2.3 2.3 2.4 2.2 2.3 2.3 2.3 2.2 2.3 2.2 2.3 2.3 1.0 0.8 1.1
0
0.7 0.8 1.0 0.8 1.9 2.7 1.9 1.5 0.8 2.6 5.1
[2] 4i4h.a 2.3 2.2 2.1 2.1 2.1 2.0 2.2 2.2 2.3 2.0 2.1 2.1 2.2 2.1 2.2 2.1 2.2 2.2 0.8 0.9 1.1 0.7
0
0.7 1.0 0.8 1.8 2.7 2.0 1.3 0.8 2.6 5.0
[2] 4k9w.a 2.4 2.3 2.3 2.3 2.2 2.1 2.3 2.3 2.4 2.1 2.2 2.3 2.3 2.2 2.3 2.2 2.3 2.3 0.7 1.1 1.3 0.8 0.7
0
1.2 1.1 1.9 2.6 2.0 1.4 0.9 2.4 5.0
[3] 3tjs.a 1.7 1.6 1.6 1.6 1.5 1.4 1.6 1.7 1.7 1.4 1.6 1.5 1.6 1.4 1.5 1.5 1.6 1.6 1.4 0.9 0.9 1.0 1.0 1.2
0
0.9 1.6 1.8 1.2 1.2 1.0 2.1 3.3
[3] 4k9u.a 1.8 1.7 1.7 1.7 1.6 1.6 1.7 1.7 1.9 1.7 1.7 1.7 1.7 1.7 1.7 1.6 1.7 1.7 1.2 0.9 1.1 0.8 0.8 1.1 0.9
0
1.9 1.6 1.6 1.5 0.9 1.9 4.4
[3] 6bdh.a 2.2 2.1 2.0 2.1 2.1 2.0 2.1 2.1 2.1 1.9 2.1 2.0 2.0 2.0 2.0 2.0 2.0 2.0 2.1 1.8 1.7 1.9 1.8 1.9 1.6 1.9
0
2.3 2.0 2.1 1.3 2.5 4.2
[4] 4k9t.a 2.0 1.9 2.0 2.0 1.8 1.9 2.0 2.0 2.1 2.1 2.0 2.0 2.1 2.0 2.0 2.0 2.0 2.0 2.8 2.7 2.7 2.7 2.7 2.6 1.8 1.6 2.3
0
1.6 2.9 2.4 2.0 3.9
[4] 6bdm.a 1.2 1.2 1.1 1.2 1.2 1.1 1.2 1.2 1.2 1.0 1.2 1.0 1.0 0.9 1.0 0.9 1.0 1.0 2.2 1.8 1.6 1.9 2.0 2.0 1.2 1.6 2.0 1.6
0
2.2 1.8 1.9 4.2
[5] 2v0m.a 2.8 2.6 2.6 2.7 2.6 2.5 2.7 2.7 2.6 2.5 2.6 2.5 2.5 2.5 2.5 2.5 2.6 2.6 1.3 1.5 1.8 1.5 1.3 1.4 1.2 1.5 2.1 2.9 2.2
0
1.2 2.5 5.1
[6] 4k9x.a 2.2 2.1 2.1 2.1 2.0 2.0 2.1 2.2 2.2 2.0 2.1 2.1 2.1 2.0 2.1 2.0 2.1 2.1 1.0 0.9 1.2 0.8 0.8 0.9 1.0 0.9 1.3 2.4 1.8 1.2
0
2.1 5.0
[7] 2j0d.a 2.4 2.3 2.3 2.4 2.3 2.3 2.5 2.5 2.3 2.5 2.3 2.3 2.3 2.3 2.4 2.3 2.3 2.4 2.6 2.6 2.7 2.6 2.6 2.4 2.1 1.9 2.5 2.0 1.9 2.5 2.1
0
2.3
[8] 5te8.a 4.2 4.2 4.2 4.3 4.2 4.3 4.3 4.3 4.2 4.3 4.2 4.2 4.2 4.2 4.2 4.2 4.2 4.3 5.0 5.0 5.0 5.1 5.0 5.0 3.3 4.4 4.2 3.9 4.2 5.1 5.0 2.3
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.7 Å)

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

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1w0e.a
1w0g.a
3ua1.a
4d6z.a
4k9v.a
4ny4.a
5a1r.a
5g5j.a
5vcd.a
5vce.a
5vcg.a
6bcz.a
6bd5.a
6bd6.a
6bd7.a
6bd8.a
6bdi.a
6bdk.a
3nxu.a
4d78.a
4d7d.a
4i4g.a
4i4h.a
4k9w.a
3tjs.a
4k9u.a
6bdh.a
4k9t.a
6bdm.a
2v0m.a
4k9x.a
2j0d.a
5te8.a
[1] 1w0e.a
0
0.6 1.1 1.0 1.8 1.4 1.2 1.2 1.3 1.6 1.2 1.2 1.2 1.4 1.1 1.3 1.1 1.2 3.2 3.1 3.1 3.2 3.0 3.1 2.0 2.2 2.9 2.7 2.0 3.5 2.8 2.6 5.0
[1] 1w0g.a 0.6
0
1.2 1.0 1.7 1.3 1.3 1.2 1.3 1.7 1.2 1.2 1.2 1.4 1.1 1.2 1.1 1.2 3.1 3.0 3.0 3.1 2.9 3.0 1.9 2.2 2.9 2.6 2.0 3.4 2.7 2.6 5.0
[1] 3ua1.a 1.1 1.2
0
0.9 1.7 1.3 1.1 1.0 0.8 1.3 0.7 0.7 0.7 1.2 0.9 1.0 0.8 0.8 3.2 3.0 3.0 3.2 2.9 3.1 1.9 2.1 2.7 2.7 1.8 3.5 2.6 2.7 5.1
[1] 4d6z.a 1.0 1.0 0.9
0
1.7 1.2 1.0 0.9 1.1 1.6 0.9 1.0 1.0 1.3 0.9 1.1 0.9 1.0 3.1 3.0 3.0 3.1 2.9 3.0 1.9 2.1 2.9 2.6 1.9 3.4 2.7 2.6 5.0
[1] 4k9v.a 1.8 1.7 1.7 1.7
0
1.5 1.7 1.6 1.6 1.9 1.6 1.6 1.7 1.8 1.7 1.8 1.7 1.7 2.9 2.8 2.6 2.8 2.8 2.9 1.9 2.1 2.9 2.5 1.9 3.4 2.7 2.6 4.6
[1] 4ny4.a 1.4 1.3 1.3 1.2 1.5
0
1.2 1.1 1.3 1.5 1.2 1.2 1.3 1.4 1.3 1.4 1.4 1.4 3.0 3.0 2.9 3.1 2.9 3.0 1.8 2.2 2.9 2.8 1.9 3.4 2.6 2.6 5.0
[1] 5a1r.a 1.2 1.3 1.1 1.0 1.7 1.2
0
0.7 0.9 1.4 1.1 1.0 1.1 1.4 1.2 1.3 1.2 1.1 3.2 3.1 3.0 3.2 3.0 3.2 1.9 2.1 2.8 2.9 2.0 3.6 2.7 2.8 5.1
[1] 5g5j.a 1.2 1.2 1.0 0.9 1.6 1.1 0.7
0
1.0 1.4 1.0 0.9 1.1 1.3 1.1 1.3 1.1 1.1 3.2 3.1 3.0 3.2 3.0 3.2 1.9 2.2 2.9 2.8 1.9 3.6 2.7 2.8 5.0
[1] 5vcd.a 1.3 1.3 0.8 1.1 1.6 1.3 0.9 1.0
0
1.4 0.8 0.7 0.8 1.2 1.0 1.1 0.9 0.9 3.2 3.1 3.1 3.2 3.0 3.2 2.0 2.2 2.8 2.8 1.8 3.5 2.8 2.6 4.9
[1] 5vce.a 1.6 1.7 1.3 1.6 1.9 1.5 1.4 1.4 1.4
0
1.3 1.3 1.4 1.4 1.4 1.4 1.4 1.4 3.0 3.0 2.9 3.0 2.8 3.0 1.7 2.1 2.7 3.0 1.9 3.4 2.5 3.0 5.3
[1] 5vcg.a 1.2 1.2 0.7 0.9 1.6 1.2 1.1 1.0 0.8 1.3
0
0.8 0.8 1.2 0.9 1.1 0.8 0.8 3.2 3.1 3.0 3.2 3.0 3.1 1.9 2.2 2.8 2.8 1.9 3.5 2.7 2.7 5.0
[1] 6bcz.a 1.2 1.2 0.7 1.0 1.6 1.2 1.0 0.9 0.7 1.3 0.8
0
0.4 0.9 0.6 0.8 0.5 0.5 3.2 3.0 3.0 3.2 3.0 3.1 1.9 2.2 2.8 2.8 1.7 3.5 2.7 2.7 5.0
[1] 6bd5.a 1.2 1.2 0.7 1.0 1.7 1.3 1.1 1.1 0.8 1.4 0.8 0.4
0
0.9 0.5 0.7 0.4 0.4 3.2 3.0 3.0 3.2 3.0 3.1 1.9 2.2 2.8 2.7 1.7 3.5 2.7 2.7 5.0
[1] 6bd6.a 1.4 1.4 1.2 1.3 1.8 1.4 1.4 1.3 1.2 1.4 1.2 0.9 0.9
0
1.0 0.9 0.9 0.9 3.1 3.0 2.9 3.1 2.9 3.0 1.9 2.1 2.7 2.7 1.6 3.4 2.6 2.8 5.1
[1] 6bd7.a 1.1 1.1 0.9 0.9 1.7 1.3 1.2 1.1 1.0 1.4 0.9 0.6 0.5 1.0
0
0.7 0.5 0.5 3.1 3.0 3.0 3.2 2.9 3.1 1.9 2.2 2.8 2.7 1.7 3.4 2.7 2.7 5.0
[1] 6bd8.a 1.3 1.2 1.0 1.1 1.8 1.4 1.3 1.3 1.1 1.4 1.1 0.8 0.7 0.9 0.7
0
0.7 0.8 3.1 2.9 2.9 3.1 2.8 3.0 1.8 2.1 2.7 2.6 1.6 3.3 2.6 2.7 5.0
[1] 6bdi.a 1.1 1.1 0.8 0.9 1.7 1.4 1.2 1.1 0.9 1.4 0.8 0.5 0.4 0.9 0.5 0.7
0
0.2 3.2 3.0 3.0 3.2 3.0 3.1 1.9 2.2 2.8 2.7 1.7 3.4 2.7 2.7 5.1
[1] 6bdk.a 1.2 1.2 0.8 1.0 1.7 1.4 1.1 1.1 0.9 1.4 0.8 0.5 0.4 0.9 0.5 0.8 0.2
0
3.2 3.0 3.0 3.2 3.0 3.1 1.9 2.2 2.8 2.7 1.7 3.5 2.7 2.7 5.1
[2] 3nxu.a 3.2 3.1 3.2 3.1 2.9 3.0 3.2 3.2 3.2 3.0 3.2 3.2 3.2 3.1 3.1 3.1 3.2 3.2
0
1.6 1.9 1.3 0.9 0.8 1.7 1.5 2.9 3.3 2.9 1.9 1.3 2.9 5.9
[2] 4d78.a 3.1 3.0 3.0 3.0 2.8 3.0 3.1 3.1 3.1 3.0 3.1 3.0 3.0 3.0 3.0 2.9 3.0 3.0 1.6
0
1.2 1.2 1.3 1.5 1.4 1.2 2.7 3.3 2.7 2.2 1.3 3.0 5.8
[2] 4d7d.a 3.1 3.0 3.0 3.0 2.6 2.9 3.0 3.0 3.1 2.9 3.0 3.0 3.0 2.9 3.0 2.9 3.0 3.0 1.9 1.2
0
1.4 1.7 1.8 1.3 1.5 2.6 3.4 2.6 2.5 1.6 3.1 5.7
[2] 4i4g.a 3.2 3.1 3.2 3.1 2.8 3.1 3.2 3.2 3.2 3.0 3.2 3.2 3.2 3.1 3.2 3.1 3.2 3.2 1.3 1.2 1.4
0
1.0 1.1 1.2 0.9 2.8 3.3 2.7 2.0 1.0 3.0 5.9
[2] 4i4h.a 3.0 2.9 2.9 2.9 2.8 2.9 3.0 3.0 3.0 2.8 3.0 3.0 3.0 2.9 2.9 2.8 3.0 3.0 0.9 1.3 1.7 1.0
0
0.9 1.4 1.1 2.7 3.2 2.8 1.9 1.1 2.9 5.9
[2] 4k9w.a 3.1 3.0 3.1 3.0 2.9 3.0 3.2 3.2 3.2 3.0 3.1 3.1 3.1 3.0 3.1 3.0 3.1 3.1 0.8 1.5 1.8 1.1 0.9
0
1.5 1.4 2.8 3.2 2.8 1.9 1.1 2.8 5.9
[3] 3tjs.a 2.0 1.9 1.9 1.9 1.9 1.8 1.9 1.9 2.0 1.7 1.9 1.9 1.9 1.9 1.9 1.8 1.9 1.9 1.7 1.4 1.3 1.2 1.4 1.5
0
1.2 2.5 2.2 1.6 1.6 1.4 2.5 3.8
[3] 4k9u.a 2.2 2.2 2.1 2.1 2.1 2.2 2.1 2.2 2.2 2.1 2.2 2.2 2.2 2.1 2.2 2.1 2.2 2.2 1.5 1.2 1.5 0.9 1.1 1.4 1.2
0
2.8 2.1 2.1 1.8 1.2 2.1 5.0
[3] 6bdh.a 2.9 2.9 2.7 2.9 2.9 2.9 2.8 2.9 2.8 2.7 2.8 2.8 2.8 2.7 2.8 2.7 2.8 2.8 2.9 2.7 2.6 2.8 2.7 2.8 2.5 2.8
0
3.1 2.7 2.9 1.7 3.1 4.8
[4] 4k9t.a 2.7 2.6 2.7 2.6 2.5 2.8 2.9 2.8 2.8 3.0 2.8 2.8 2.7 2.7 2.7 2.6 2.7 2.7 3.3 3.3 3.4 3.3 3.2 3.2 2.2 2.1 3.1
0
2.4 3.4 3.0 2.4 4.7
[4] 6bdm.a 2.0 2.0 1.8 1.9 1.9 1.9 2.0 1.9 1.8 1.9 1.9 1.7 1.7 1.6 1.7 1.6 1.7 1.7 2.9 2.7 2.6 2.7 2.8 2.8 1.6 2.1 2.7 2.4
0
3.1 2.5 2.4 4.8
[5] 2v0m.a 3.5 3.4 3.5 3.4 3.4 3.4 3.6 3.6 3.5 3.4 3.5 3.5 3.5 3.4 3.4 3.3 3.4 3.5 1.9 2.2 2.5 2.0 1.9 1.9 1.6 1.8 2.9 3.4 3.1
0
1.9 2.7 6.1
[6] 4k9x.a 2.8 2.7 2.6 2.7 2.7 2.6 2.7 2.7 2.8 2.5 2.7 2.7 2.7 2.6 2.7 2.6 2.7 2.7 1.3 1.3 1.6 1.0 1.1 1.1 1.4 1.2 1.7 3.0 2.5 1.9
0
2.6 5.8
[7] 2j0d.a 2.6 2.6 2.7 2.6 2.6 2.6 2.8 2.8 2.6 3.0 2.7 2.7 2.7 2.8 2.7 2.7 2.7 2.7 2.9 3.0 3.1 3.0 2.9 2.8 2.5 2.1 3.1 2.4 2.4 2.7 2.6
0
3.2
[8] 5te8.a 5.0 5.0 5.1 5.0 4.6 5.0 5.1 5.0 4.9 5.3 5.0 5.0 5.0 5.1 5.0 5.0 5.1 5.1 5.9 5.8 5.7 5.9 5.9 5.9 3.8 5.0 4.8 4.7 4.8 6.1 5.8 3.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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