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CAH4_HUMAN_19_284

Carbonic anhydrase 4 [Alpha-carbonic anhydrase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CAH4_HUMAN):D: Alpha-carbonic anhydrase (23, 25, 86, 88, 89, 91, 112, 113, 115, 117, 140, 142, 144, 163, 165, 224:227, 232, 233, 235)
R: Substrate binding (225, 226)
23, 25, 86, 88, 89, 91, 112, 113, 115, 117, 140, 142, 144, 163, 165, 224:227, 232, 233, 235
Metals (Me):Zn

Full PDB list

1znc, 3f7b, 3f7u, 3fw3, 5ipz, 5jn8, 5jn9, 5jna, 5jnc, 5ku6 (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
W
2
3
Y
2
5
N
8
6
H
8
8
S
8
9
M
9
1
K
1
1
2
Q
1
1
3
H
1
1
5
H
1
1
7
H
1
4
0
V
1
4
2
E
1
4
4
I
1
6
3
V
1
6
5
L
2
2
4
T
2
2
5
T
2
2
6
P
2
2
7
W
2
3
5
[1]3f7b.b ag528 . . . . . . . . . . . . . . . . . . . . Zn
[1]3f7u.c ag425 . . . . . . . . . . . . . . . . . . . . Zn
[1]3fw3.b ets19 . . . . . . . . . . . . . . . . . . . . Zn
[1]5ipz.b 6cc17 . . . . . . . . . . . . . . . . . . . . Zn
[1]5ipz.d none . . . . . . . . . . . . . . . . . . . . Zn
[1]5jn8.a azm13 . . . . . . . . . . . . . . . . . . . . Zn
[1]5jn9.b ezl16 . . . . . . . . . . . . . . . . . . . . Zn
[1]5jna.c tor22 . . . . . . . . . . . . . . . . . . . . Zn
[1]5jnc.b 6lh12 . . . . . . . . . . . . . . . . . . . . Zn
[1]5ku6.b mzm14 . . . . . . . . . . . . . . . . . . . . Zn

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 Me
W
2
3
Y
2
5
N
8
6
H
8
8
S
8
9
M
9
1
K
1
1
2
Q
1
1
3
H
1
1
5
H
1
1
7
H
1
4
0
V
1
4
2
E
1
4
4
I
1
6
3
V
1
6
5
L
2
2
4
T
2
2
5
T
2
2
6
P
2
2
7
K
2
3
2
V
2
3
3
W
2
3
5
[1]3f7b.b . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3f7u.c . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3fw3.b . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ipz.b . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ipz.d . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5jn8.a . . . * . . . . . . . . . . . . . . . . . . Zn
[1]5jn9.b . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5jna.c . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5jnc.b . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ku6.b . . . . . . . . . . . . . . . . . . . . . . Zn

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

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
3f7b.b:ag5
3f7u.c:ag4
3fw3.b:ets
5ipz.b:6cc
5ipz.d is apo
5jn8.a:azm
5jn9.b:ezl
5jna.c:tor
5jnc.b:6lh
5ku6.b:mzm
[1] 3f7b.b
0
0 0.1 0.1 - 0.1 0.4 0.3 0.1 0.4
[1] 3f7u.c 0.1
0
0 0.1 - 0.1 0.2 0.5 0.1 0.2
[1] 3fw3.b 0.4 0.2
0
0.1 - 0 0.1 0.1 0 0.1
[1] 5ipz.b 0.3 0.2 0.2
0.1
- 0.2 0.3 0.4 0.3 0.3
[1] 5ipz.d 0.5 0.3 0.3 0.3
-
0.3 0.3 0.3 0.2 0.4
[1] 5jn8.a 1.2 1.1 0.5 1.2 -
0
0.1 0.7 0.1 0.1
[1] 5jn9.b 0.3 0.1 0.1 0.2 - 0
0.1
0.4 0 0.2
[1] 5jna.c 0.3 0.1 0.1 0.3 - 0.1 0.1
0
0 0.1
[1] 5jnc.b 0.4 0.2 0 0.2 - 0 0.2 0.2
0
0.1
[1] 5ku6.b 0.3 0.2 0 0.4 - 0 0.1 0.3 0
0.1
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

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

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
3f7b.b
3f7u.c
3fw3.b
5ipz.b
5ipz.d
5jn8.a
5jn9.b
5jna.c
5jnc.b
5ku6.b
[1] 3f7b.b
0
.03 .04 .04 .02 .09 .03 .04 .03 .05
[1] 3f7u.c .03
0
.03 .05 .05 .07 .02 .04 .01 .03
[1] 3fw3.b .04 .03
0
.05 .05 .08 .03 .03 .03 .03
[1] 5ipz.b .04 .05 .05
0
.04 .10 .04 .05 .04 .05
[1] 5ipz.d .02 .05 .05 .04
0
.11 .04 .05 .04 .05
[1] 5jn8.a .09 .07 .08 .10 .11
0
.07 .06 .07 .05
[1] 5jn9.b .03 .02 .03 .04 .04 .07
0
.03 0 .02
[1] 5jna.c .04 .04 .03 .05 .05 .06 .03
0
.03 .02
[1] 5jnc.b .03 .01 .03 .04 .04 .07 0 .03
0
.01
[1] 5ku6.b .05 .03 .03 .05 .05 .05 .02 .02 .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.5 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone 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
3f7b.b
3f7u.c
3fw3.b
5ipz.b
5ipz.d
5jn8.a
5jn9.b
5jna.c
5jnc.b
5ku6.b
[1] 3f7b.b
0
0.2 0.2 0.2 0.4 0.2 0.2 0.2 0.2 0.2
[1] 3f7u.c 0.2
0
0.2 0.3 0.4 0.1 0.2 0.3 0.2 0.2
[1] 3fw3.b 0.2 0.2
0
0.2 0.4 0.3 0.3 0.2 0.2 0.3
[1] 5ipz.b 0.2 0.3 0.2
0
0.4 0.3 0.3 0.3 0.3 0.3
[1] 5ipz.d 0.4 0.4 0.4 0.4
0
0.4 0.5 0.5 0.4 0.4
[1] 5jn8.a 0.2 0.1 0.3 0.3 0.4
0
0.2 0.3 0.2 0.1
[1] 5jn9.b 0.2 0.2 0.3 0.3 0.5 0.2
0
0.3 0.1 0.1
[1] 5jna.c 0.2 0.3 0.2 0.3 0.5 0.3 0.3
0
0.2 0.2
[1] 5jnc.b 0.2 0.2 0.2 0.3 0.4 0.2 0.1 0.2
0
0.1
[1] 5ku6.b 0.2 0.2 0.3 0.3 0.4 0.1 0.1 0.2 0.1
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 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
3f7b.b
3f7u.c
3fw3.b
5ipz.b
5ipz.d
5jn8.a
5jn9.b
5jna.c
5jnc.b
5ku6.b
[1] 3f7b.b
0
0.3 0.3 0.5 0.6 0.7 0.5 0.4 0.6 0.5
[1] 3f7u.c 0.3
0
0.3 0.6 0.7 0.5 0.4 0.4 0.5 0.4
[1] 3fw3.b 0.3 0.3
0
0.6 0.7 0.7 0.5 0.3 0.6 0.5
[1] 5ipz.b 0.5 0.6 0.6
0
0.7 0.7 0.5 0.6 0.6 0.5
[1] 5ipz.d 0.6 0.7 0.7 0.7
0
0.8 0.7 0.7 0.7 0.7
[1] 5jn8.a 0.7 0.5 0.7 0.7 0.8
0
0.4 0.7 0.5 0.4
[1] 5jn9.b 0.5 0.4 0.5 0.5 0.7 0.4
0
0.6 0.3 0.2
[1] 5jna.c 0.4 0.4 0.3 0.6 0.7 0.7 0.6
0
0.6 0.5
[1] 5jnc.b 0.6 0.5 0.6 0.6 0.7 0.5 0.3 0.6
0
0.3
[1] 5ku6.b 0.5 0.4 0.5 0.5 0.7 0.4 0.2 0.5 0.3
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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