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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, 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, 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 (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
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
[2]2v0m.a kln,kln72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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.b 7aw45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[3]3tjs.a d0r41 . . . . . . . . . . . . . . . - - - - - - . . . . . . . . . . . . . . . . . . . . hem Fe
[3]4k9u.a 5aw,5aw74 . . . . . . . . . . . . . - - - - - - . . . . . . . . . . . . . . . . . . . . . . hem Fe
[4]4k9t.a 1rd,1rd70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[5]4k9x.a 8aw35 . . . . . . . . . . . . . . . - - . . . . . . . . . . . . . . . . . . . . . . . . hem Fe
[6]2j0d.a ery51 . . . . . . . . . . . . . . . . . - - - - . . . . . . . . . . . . . . . . . . . . hem Fe
[7]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
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
[2]2v0m.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.b . . . . . . . * . . . . . . . . * * * * * . . . . * . . . . . . . . . . . . . * * . . . . . . . . * . . hem Fe
[3]3tjs.a . . . . . . . * . . . . . . . . * - - - - - - - * * * . . . . . . . . . . . . * . . . . . . . . . * . . hem Fe
[3]4k9u.a . . . . . . . * . . . . . . . - - - - - - . . . . . . . . . . . . . . . . . . . . . . . . . . . . * . . hem Fe
[4]4k9t.a . . . . . . . * . . . . . . . . . * * * * * * . . . * . . . . * . . . . . . . . . . . . . . . . . * . . hem Fe
[5]4k9x.a . . . . . . . * . . . . . . . . * - - * * . . . . . * . * . . . . . . . . . . * . . . . . . . . . * . . hem Fe
[6]2j0d.a . . . . . . . * . . . . . . . . . * * - - - - - . . . . . . . . . . . * * . . . . . . . . . . . . * . . hem Fe
[7]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
2v0m.a:kln
3nxu.a:rit
4d78.a:j9k
4d7d.a:pkt
4i4g.a:z8z
4i4h.a:z9z
4k9w.b:7aw
3tjs.a:d0r
4k9u.a:5aw
4k9t.a:1rd
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 16 8.7 5.6 5.1 7.5 7.6 5.5 6.6 19 19 4.6 11 0.3
[1] 1w0g.a -
0
0.6 0.1 0.3 2.5 0.2 0 - 9.2 0.7 15 7.3 4.2 4.7 6.8 6.5 5.0 5.9 19 18 4.8 11 0.1
[1] 3ua1.a - 0.2
0
2.9 0.5 2.5 0.3 0 - 8.7 0.1 15 7.7 7.1 6.7 5.9 6.0 4.6 6.6 20 18 4.4 10 0.2
[1] 4d6z.a - 0 0.2
0
0.2 2.0 0.2 0 - 8.7 0.5 15 7.2 3.8 4.4 5.7 6.3 4.3 5.2 19 18 3.6 10 0.1
[1] 4k9v.a - 0 0.5 0.2
0
2.1 0.4 0 - 9.3 0.4 13 6.7 3.7 4.0 6.5 7.2 4.5 5.5 20 17 4.9 11 0.5
[1] 4ny4.a - 0 0.1 0.4 0
0
0.3 0 - 5.0 0.2 12 4.0 2.0 2.8 3.7 3.6 2.4 2.9 18 14 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 18 8.7 7.2 7.6 6.8 7.9 5.8 8.3 22 20 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 18 8.6 6.8 7.4 6.8 8.3 5.4 8.5 22 20 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 18 8.4 6.8 6.8 5.9 7.5 4.9 7.3 22 20 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 13 3.2 4.2 5.3 3.2 4.9 4.5 2.4 18 16 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
15 7.8 7.2 6.9 6.3 7.0 5.1 6.0 19 18 4.9 10 0.4
[2] 2v0m.a - 0 0.1 2.6 1.1 0.2 3.9 0 - 0.7 0.1
0.2
0.5 1.8 1.8 0.1 0 0.4 1.4 16 3.9 0 5.8 0.6
[2] 3nxu.a - 0 0.8 0.4 0.1 0.2 5.2 0 - 2.1 0.7 6.8
0
1.0 1.3 0.2 0.8 0.6 1.4 15 11 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 8.7 2.2
0
0 1.1 1.6 1.4 1.3 17 14 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 7.9 2.9 0.1
0
1.6 2.5 2.8 1.8 19 13 0.7 12 0.4
[2] 4i4g.a - 0 0.6 0.1 0.5 0.3 5.5 0 - 2.9 0.9 5.3 0.7 0.1 0
0
0.4 0 0.6 17 9.8 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 4.8 0.5 0.2 0.4 0.5
0.2
0.1 0.4 16 11 0.2 6.8 0.9
[2] 4k9w.b - 0 0.6 1.1 0.2 0.3 4.8 0 - 1.6 0.8 5.7 0.6 1.0 1.3 0.4 0.6
0
0.4 15 10 0 5.1 1.9
[3] 3tjs.a - 0.1 0.3 0.4 0.2 0.1 2.4 0 - 0.3 0.2 2.9 0.6 0.1 0.1 0.2 0.3 0.2
0
6.0 4.2 0 1.5 0.7
[3] 4k9u.a - 0 0.3 0.8 0.4 0.3 0.7 0 - 0.7 0.5 2.3 0.5 1.1 1.0 0 0.1 0.2 0.5
0.3
3.3 0 1.1 0.1
[4] 4k9t.a - 0.1 3.9 0.9 2.0 0.9 3.7 0 - 4.9 3.9 5.2 2.5 1.7 1.5 2.9 1.2 2.5 2.8 18
0.2
1.0 4.7 0.3
[5] 4k9x.a - 0.1 0.6 2.2 1.2 0.1 1.5 0 - 1.0 0.4 5.5 1.3 2.0 1.7 0.6 1.1 0.2 1.2 9.3 9.3
0
3.8 1.4
[6] 2j0d.a - 0.2 0.6 1.3 0.8 1.3 1.3 0 - 3.7 0.2 3.7 3.8 3.9 4.3 3.6 2.8 2.5 4.1 5.4 4.4 2.1
0
0.3
[7] 5te8.a - 0.7 8.2 6.0 6.9 4.8 1.0 0.5 - 12 8.1 20 13 8.0 8.2 12 12 11 10 12 18 7.9 15
0.1
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (7 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
2v0m.a
3nxu.a
4d78.a
4d7d.a
4i4g.a
4i4h.a
4k9w.b
3tjs.a
4k9u.a
4k9t.a
4k9x.a
2j0d.a
5te8.a
[1] 1w0e.a
0
.06 .10 .09 .13 .18 .11 .09 .13 .26 .11 .53 .44 .44 .52 .49 .43 .48 .69 .61 .30 .53 .51 .61
[1] 1w0g.a .06
0
.10 .05 .10 .15 .11 .10 .12 .21 .10 .51 .41 .41 .48 .46 .41 .45 .66 .57 .26 .50 .50 .62
[1] 3ua1.a .10 .10
0
.09 .13 .19 .11 .12 .11 .22 .08 .50 .41 .38 .46 .44 .40 .45 .67 .59 .28 .51 .51 .59
[1] 4d6z.a .09 .05 .09
0
.11 .18 .09 .12 .10 .23 .11 .52 .44 .42 .48 .47 .43 .48 .68 .60 .28 .52 .51 .61
[1] 4k9v.a .13 .10 .13 .11
0
.16 .16 .17 .16 .24 .14 .50 .40 .41 .47 .46 .40 .45 .68 .59 .28 .48 .50 .63
[1] 4ny4.a .18 .15 .19 .18 .16
0
.22 .21 .22 .18 .19 .42 .30 .32 .40 .36 .30 .34 .58 .55 .23 .40 .55 .69
[1] 5a1r.a .11 .11 .11 .09 .16 .22
0
.07 .07 .19 .12 .56 .43 .44 .44 .45 .41 .50 .72 .65 .34 .57 .55 .67
[1] 5g5j.a .09 .10 .12 .12 .17 .21 .07
0
.09 .22 .12 .58 .43 .45 .47 .47 .41 .51 .72 .66 .34 .57 .55 .67
[1] 5vcd.a .13 .12 .11 .10 .16 .22 .07 .09
0
.19 .08 .57 .44 .45 .46 .47 .42 .51 .74 .65 .33 .57 .53 .63
[1] 5vce.a .26 .21 .22 .23 .24 .18 .19 .22 .19
0
.19 .48 .30 .36 .34 .37 .31 .38 .62 .57 .24 .46 .64 .72
[1] 5vcg.a .11 .10 .08 .11 .14 .19 .12 .12 .08 .19
0
.52 .42 .40 .48 .45 .42 .46 .68 .59 .29 .52 .49 .60
[2] 2v0m.a .53 .51 .50 .52 .50 .42 .56 .58 .57 .48 .52
0
.26 .24 .26 .21 .23 .25 .41 .42 .46 .38 .42 .68
[2] 3nxu.a .44 .41 .41 .44 .40 .30 .43 .43 .44 .30 .42 .26
0
.19 .24 .18 .08 .16 .46 .49 .37 .30 .52 .79
[2] 4d78.a .44 .41 .38 .42 .41 .32 .44 .45 .45 .36 .40 .24 .19
0
.17 .13 .16 .17 .45 .46 .33 .27 .54 .79
[2] 4d7d.a .52 .48 .46 .48 .47 .40 .44 .47 .46 .34 .48 .26 .24 .17
0
.15 .19 .29 .47 .50 .39 .35 .59 .79
[2] 4i4g.a .49 .46 .44 .47 .46 .36 .45 .47 .47 .37 .45 .21 .18 .13 .15
0
.13 .18 .41 .43 .41 .30 .51 .76
[2] 4i4h.a .43 .41 .40 .43 .40 .30 .41 .41 .42 .31 .42 .23 .08 .16 .19 .13
0
.14 .43 .46 .37 .27 .52 .78
[2] 4k9w.b .48 .45 .45 .48 .45 .34 .50 .51 .51 .38 .46 .25 .16 .17 .29 .18 .14
0
.46 .44 .40 .29 .49 .78
[3] 3tjs.a .69 .66 .67 .68 .68 .58 .72 .72 .74 .62 .68 .41 .46 .45 .47 .41 .43 .46
0
.21 .54 .25 .41 .73
[3] 4k9u.a .61 .57 .59 .60 .59 .55 .65 .66 .65 .57 .59 .42 .49 .46 .50 .43 .46 .44 .21
0
.42 .31 .26 .63
[4] 4k9t.a .30 .26 .28 .28 .28 .23 .34 .34 .33 .24 .29 .46 .37 .33 .39 .41 .37 .40 .54 .42
0
.38 .55 .64
[5] 4k9x.a .53 .50 .51 .52 .48 .40 .57 .57 .57 .46 .52 .38 .30 .27 .35 .30 .27 .29 .25 .31 .38
0
.51 .70
[6] 2j0d.a .51 .50 .51 .51 .50 .55 .55 .55 .53 .64 .49 .42 .52 .54 .59 .51 .52 .49 .41 .26 .55 .51
0
.58
[7] 5te8.a .61 .62 .59 .61 .63 .69 .67 .67 .63 .72 .60 .68 .79 .79 .79 .76 .78 .78 .73 .63 .64 .70 .58
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
1w0e.a
1w0g.a
3ua1.a
4d6z.a
4k9v.a
4ny4.a
5a1r.a
5g5j.a
5vcd.a
5vce.a
5vcg.a
2v0m.a
3nxu.a
4d78.a
4d7d.a
4i4g.a
4i4h.a
4k9w.b
3tjs.a
4k9u.a
4k9t.a
4k9x.a
2j0d.a
5te8.a
[1] 1w0e.a
0
0.4 0.6 0.5 0.7 0.7 0.5 0.5 0.7 0.8 0.6 2.7 2.5 2.2 2.1 2.4 2.2 2.4 1.6 1.8 2.0 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 2.6 2.4 2.1 2.0 2.3 2.1 2.3 1.5 1.7 1.9 2.1 2.3 4.3
[1] 3ua1.a 0.6 0.6
0
0.5 0.8 0.8 0.6 0.6 0.5 0.8 0.5 2.6 2.4 2.1 2.0 2.3 2.1 2.3 1.5 1.6 2.1 2.1 2.4 4.3
[1] 4d6z.a 0.5 0.5 0.5
0
0.6 0.6 0.3 0.4 0.7 0.8 0.4 2.6 2.4 2.1 2.0 2.3 2.1 2.3 1.6 1.6 2.0 2.1 2.4 4.3
[1] 4k9v.a 0.7 0.7 0.8 0.6
0
0.6 0.6 0.6 0.9 0.9 0.7 2.6 2.3 2.1 1.9 2.2 2.1 2.2 1.4 1.6 1.8 2.0 2.4 4.2
[1] 4ny4.a 0.7 0.6 0.8 0.6 0.6
0
0.7 0.7 0.9 0.8 0.7 2.4 2.2 2.0 1.8 2.1 2.0 2.1 1.3 1.6 1.9 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 2.7 2.4 2.1 2.0 2.3 2.1 2.3 1.6 1.7 2.0 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 2.7 2.5 2.1 2.0 2.3 2.2 2.4 1.6 1.7 2.0 2.2 2.5 4.3
[1] 5vcd.a 0.7 0.7 0.5 0.7 0.9 0.9 0.7 0.8
0
0.7 0.6 2.6 2.5 2.2 2.1 2.4 2.2 2.4 1.6 1.8 2.1 2.2 2.3 4.2
[1] 5vce.a 0.8 0.8 0.8 0.8 0.9 0.8 0.8 0.8 0.7
0
0.8 2.5 2.3 2.0 1.8 2.2 2.0 2.2 1.3 1.6 2.1 2.0 2.5 4.4
[1] 5vcg.a 0.6 0.6 0.5 0.4 0.7 0.7 0.5 0.6 0.6 0.8
0
2.6 2.4 2.1 1.9 2.3 2.1 2.3 1.5 1.6 2.0 2.1 2.3 4.2
[2] 2v0m.a 2.7 2.6 2.6 2.6 2.6 2.4 2.7 2.7 2.6 2.5 2.6
0
1.3 1.5 1.8 1.5 1.3 1.3 1.2 1.5 2.8 1.2 2.4 5.1
[2] 3nxu.a 2.5 2.4 2.4 2.4 2.3 2.2 2.4 2.5 2.5 2.3 2.4 1.3
0
1.2 1.5 1.0 0.8 0.7 1.4 1.2 2.7 1.0 2.5 5.0
[2] 4d78.a 2.2 2.1 2.1 2.1 2.1 2.0 2.1 2.1 2.2 2.0 2.1 1.5 1.2
0
0.8 0.8 0.9 1.0 0.9 0.9 2.7 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 1.8 1.9 1.8 1.5 0.8
0
1.1 1.1 1.3 0.9 1.1 2.7 1.2 2.6 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 1.5 1.0 0.8 1.1
0
0.7 0.7 1.0 0.7 2.6 0.8 2.5 5.1
[2] 4i4h.a 2.2 2.1 2.1 2.1 2.1 2.0 2.1 2.2 2.2 2.0 2.1 1.3 0.8 0.9 1.1 0.7
0
0.6 1.0 0.8 2.6 0.8 2.6 5.1
[2] 4k9w.b 2.4 2.3 2.3 2.3 2.2 2.1 2.3 2.4 2.4 2.2 2.3 1.3 0.7 1.0 1.3 0.7 0.6
0
1.1 1.1 2.7 0.9 2.5 5.1
[3] 3tjs.a 1.6 1.5 1.5 1.6 1.4 1.3 1.6 1.6 1.6 1.3 1.5 1.2 1.4 0.9 0.9 1.0 1.0 1.1
0
0.9 1.7 1.0 2.1 3.3
[3] 4k9u.a 1.8 1.7 1.6 1.6 1.6 1.6 1.7 1.7 1.8 1.6 1.6 1.5 1.2 0.9 1.1 0.7 0.8 1.1 0.9
0
1.5 0.9 1.8 4.5
[4] 4k9t.a 2.0 1.9 2.1 2.0 1.8 1.9 2.0 2.0 2.1 2.1 2.0 2.8 2.7 2.7 2.7 2.6 2.6 2.7 1.7 1.5
0
2.4 2.0 4.0
[5] 4k9x.a 2.2 2.1 2.1 2.1 2.0 2.0 2.1 2.2 2.2 2.0 2.1 1.2 1.0 0.9 1.2 0.8 0.8 0.9 1.0 0.9 2.4
0
2.1 5.0
[6] 2j0d.a 2.4 2.3 2.4 2.4 2.4 2.3 2.5 2.5 2.3 2.5 2.3 2.4 2.5 2.6 2.6 2.5 2.6 2.5 2.1 1.8 2.0 2.1
0
2.4
[7] 5te8.a 4.2 4.3 4.3 4.3 4.2 4.3 4.3 4.3 4.2 4.4 4.2 5.1 5.0 5.0 5.0 5.1 5.1 5.1 3.3 4.5 4.0 5.0 2.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.9 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
1w0e.a
1w0g.a
3ua1.a
4d6z.a
4k9v.a
4ny4.a
5a1r.a
5g5j.a
5vcd.a
5vce.a
5vcg.a
2v0m.a
3nxu.a
4d78.a
4d7d.a
4i4g.a
4i4h.a
4k9w.b
3tjs.a
4k9u.a
4k9t.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 3.5 3.2 3.1 3.0 3.2 2.9 3.1 2.0 2.2 2.7 2.8 2.6 5.0
[1] 1w0g.a 0.6
0
1.1 1.0 1.7 1.3 1.3 1.2 1.3 1.6 1.2 3.4 3.1 3.0 3.0 3.1 2.9 3.0 1.9 2.2 2.6 2.7 2.6 5.1
[1] 3ua1.a 1.1 1.1
0
1.0 1.7 1.3 1.0 1.0 0.8 1.4 0.7 3.5 3.2 3.0 3.0 3.2 2.9 3.1 1.8 2.1 2.8 2.6 2.7 5.1
[1] 4d6z.a 1.0 1.0 1.0
0
1.7 1.2 1.0 0.9 1.1 1.6 0.9 3.4 3.1 3.0 3.0 3.1 2.9 3.0 1.9 2.1 2.6 2.7 2.6 5.1
[1] 4k9v.a 1.8 1.7 1.7 1.7
0
1.5 1.7 1.6 1.6 1.9 1.6 3.4 2.9 2.8 2.6 2.8 2.8 2.9 1.8 2.1 2.5 2.7 2.6 4.7
[1] 4ny4.a 1.4 1.3 1.3 1.2 1.5
0
1.2 1.1 1.3 1.5 1.2 3.4 3.0 3.0 2.9 3.0 2.9 3.0 1.8 2.1 2.8 2.6 2.6 5.0
[1] 5a1r.a 1.2 1.3 1.0 1.0 1.7 1.2
0
0.7 0.9 1.4 1.0 3.6 3.2 3.1 3.0 3.2 3.0 3.2 1.9 2.1 2.9 2.7 2.9 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 3.6 3.2 3.1 3.0 3.2 3.0 3.1 1.9 2.1 2.9 2.7 2.8 5.1
[1] 5vcd.a 1.3 1.3 0.8 1.1 1.6 1.3 0.9 1.0
0
1.4 0.8 3.5 3.3 3.1 3.1 3.2 3.0 3.2 1.9 2.2 2.9 2.8 2.7 5.0
[1] 5vce.a 1.6 1.6 1.4 1.6 1.9 1.5 1.4 1.4 1.4
0
1.3 3.4 3.0 3.0 2.9 3.0 2.8 3.0 1.7 2.1 3.1 2.5 3.0 5.3
[1] 5vcg.a 1.2 1.2 0.7 0.9 1.6 1.2 1.0 1.0 0.8 1.3
0
3.5 3.2 3.1 3.0 3.2 3.0 3.1 1.9 2.1 2.8 2.7 2.7 5.1
[2] 2v0m.a 3.5 3.4 3.5 3.4 3.4 3.4 3.6 3.6 3.5 3.4 3.5
0
2.0 2.2 2.5 2.0 2.0 1.9 1.6 1.8 3.4 1.9 2.7 6.2
[2] 3nxu.a 3.2 3.1 3.2 3.1 2.9 3.0 3.2 3.2 3.3 3.0 3.2 2.0
0
1.6 1.9 1.2 0.9 0.8 1.7 1.4 3.3 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 2.2 1.6
0
1.2 1.2 1.3 1.5 1.4 1.3 3.3 1.3 3.0 5.8
[2] 4d7d.a 3.0 3.0 3.0 3.0 2.6 2.9 3.0 3.0 3.1 2.9 3.0 2.5 1.9 1.2
0
1.4 1.7 1.8 1.3 1.4 3.4 1.6 3.1 5.8
[2] 4i4g.a 3.2 3.1 3.2 3.1 2.8 3.0 3.2 3.2 3.2 3.0 3.2 2.0 1.2 1.2 1.4
0
1.0 1.1 1.2 0.9 3.3 1.0 2.9 5.9
[2] 4i4h.a 2.9 2.9 2.9 2.9 2.8 2.9 3.0 3.0 3.0 2.8 3.0 2.0 0.9 1.3 1.7 1.0
0
0.8 1.4 1.1 3.2 1.1 2.9 5.9
[2] 4k9w.b 3.1 3.0 3.1 3.0 2.9 3.0 3.2 3.1 3.2 3.0 3.1 1.9 0.8 1.5 1.8 1.1 0.8
0
1.5 1.3 3.2 1.1 2.8 6.0
[3] 3tjs.a 2.0 1.9 1.8 1.9 1.8 1.8 1.9 1.9 1.9 1.7 1.9 1.6 1.7 1.4 1.3 1.2 1.4 1.5
0
1.2 2.2 1.4 2.5 3.8
[3] 4k9u.a 2.2 2.2 2.1 2.1 2.1 2.1 2.1 2.1 2.2 2.1 2.1 1.8 1.4 1.3 1.4 0.9 1.1 1.3 1.2
0
2.1 1.2 2.1 5.0
[4] 4k9t.a 2.7 2.6 2.8 2.6 2.5 2.8 2.9 2.9 2.9 3.1 2.8 3.4 3.3 3.3 3.4 3.3 3.2 3.2 2.2 2.1
0
3.0 2.4 4.8
[5] 4k9x.a 2.8 2.7 2.6 2.7 2.7 2.6 2.7 2.7 2.8 2.5 2.7 1.9 1.3 1.3 1.6 1.0 1.1 1.1 1.4 1.2 3.0
0
2.6 5.8
[6] 2j0d.a 2.6 2.6 2.7 2.6 2.6 2.6 2.9 2.8 2.7 3.0 2.7 2.7 2.9 3.0 3.1 2.9 2.9 2.8 2.5 2.1 2.4 2.6
0
3.2
[7] 5te8.a 5.0 5.1 5.1 5.1 4.7 5.0 5.1 5.1 5.0 5.3 5.1 6.2 5.9 5.8 5.8 5.9 5.9 6.0 3.8 5.0 4.8 5.8 3.2
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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