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CAH12_HUMAN_29_291

Carbonic anhydrase 12 [Alpha-carbonic anhydrase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CAH12_HUMAN):D: Alpha-carbonic anhydrase (32, 34, 92, 94, 95, 97, 116, 117, 119, 121, 132, 145, 147, 157, 158, 161, 167, 169, 225:229, 231, 234, 236)
R: Substrate binding (226, 227)
32, 34, 92, 94, 95, 97, 116, 117, 119, 121, 132, 145, 147, 157, 158, 161, 167, 169, 225:229, 231, 234, 236
Metals (Me):Zn

Full PDB list

1jcz, 1jd0, 4ht2, 4kp5, 4kp8, 4q0l, 4qj0, 4qjo, 4qjw, 4ww8, 5ll5, 5ll9, 5llo, 5llp, 5msa, 5msb

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
W
3
2
N
9
2
H
9
4
S
9
5
K
9
7
T
1
1
6
Q
1
1
7
H
1
1
9
H
1
2
1
E
1
3
2
H
1
4
5
V
1
4
7
A
1
5
7
S
1
5
8
S
1
6
1
L
1
6
7
V
1
6
9
L
2
2
5
T
2
2
6
T
2
2
7
P
2
2
8
P
2
2
9
N
2
3
1
V
2
3
4
W
2
3
6
[1]1jcz.a none . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1jd0.a azm13 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ht2.a v5023 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4kp5.b e1f21 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4kp8.b e1g20 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4q0l.c v1428 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4qj0.c wwx35 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4qjo.b v1f32 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4qjw.a wwo27 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ww8.a vd914 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ll5.a 6yh22 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ll9.a 6yq23 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5llo.a 5ef29 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5llp.b 6z930 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5msa.a 3tv18 . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5msb.b v1320 . . . . . . . . . . . . . . . . . . . . . . . . . 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
3
2
Y
3
4
N
9
2
H
9
4
S
9
5
K
9
7
T
1
1
6
Q
1
1
7
H
1
1
9
H
1
2
1
E
1
3
2
H
1
4
5
V
1
4
7
A
1
5
7
S
1
5
8
S
1
6
1
L
1
6
7
V
1
6
9
L
2
2
5
T
2
2
6
T
2
2
7
P
2
2
8
P
2
2
9
N
2
3
1
V
2
3
4
W
2
3
6
[1]1jcz.a . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1jd0.a . . . . . . . * . . . . . . . . . . . . . . . . . . Zn
[1]4ht2.a . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4kp5.b . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4kp8.b . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4q0l.c . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4qj0.c . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4qjo.b . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4qjw.a . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ww8.a . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ll5.a . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5ll9.a . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5llo.a . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5llp.b . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5msa.a . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5msb.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
1jcz.a is apo
1jd0.a:azm
4ht2.a:v50
4kp5.b:e1f
4kp8.b:e1g
4q0l.c:v14
4qj0.c:wwx
4qjo.b:v1f
4qjw.a:wwo
4ww8.a:vd9
5ll5.a:6yh
5ll9.a:6yq
5llo.a:5ef
5llp.b:6z9
5msa.a:3tv
5msb.b:v13
[1] 1jcz.a
-
0.4 0.8 0.2 0.4 0.7 0.2 0.5 0.3 0.1 0.2 0.1 0.3 0 0.1 0.3
[1] 1jd0.a -
0
0.6 0.2 0.1 0.6 0.1 0.1 0.1 0 0.2 0.2 0.1 0 0.1 0.2
[1] 4ht2.a - 0.1
0.2
0.2 0.3 0.3 0.1 0.4 0.1 0.1 0.1 0.2 0.1 0.2 0.1 0.4
[1] 4kp5.b - 0.1 0.6
0
0.1 0.4 0.2 0.2 0.2 0.1 0.2 0 0.1 0.2 0 0.5
[1] 4kp8.b - 0 0.7 0.3
0
0.1 0.2 0.1 0.1 0 0.1 0.2 0.1 0.1 0.1 0.1
[1] 4q0l.c - 0.1 0.8 0.3 0.1
0.1
0.3 0.3 0.3 0.2 0.1 0.2 0.4 0.1 0.1 0.3
[1] 4qj0.c - 0.1 0.6 0 0.3 0.5
0.1
0.5 0.4 0.1 0.2 0.1 0.2 0.2 0 0.7
[1] 4qjo.b - 0 0.4 0.2 0 0.4 0.2
0.1
0.2 0 0 0.2 0.3 0.1 0.1 0.1
[1] 4qjw.a - 0.1 0.5 0.4 0.1 0.2 0.3 0.2
0.1
0.1 0.1 0.4 0.1 0.1 0.1 0.4
[1] 4ww8.a - 0.1 0.5 0.3 0 0.1 0.4 0.2 0.1
0
0 0.2 0.2 0.1 0.1 0.1
[1] 5ll5.a - 0.1 0.4 0.4 0.2 0.2 0.3 0.2 0.1 0
0.1
0.4 0.2 0.3 0.1 0.3
[1] 5ll9.a - 0.2 0.6 0.1 0.3 0.2 0.3 0.6 0.2 0.1 0.2
0
0.1 0.3 0 0.9
[1] 5llo.a - 0 0.5 0.3 0.1 0.2 0.5 0.4 0.1 0.1 0.1 0.2
0
0.1 0.1 0.4
[1] 5llp.b - 0 0.6 0.2 0.1 0.3 0.4 0.1 0.1 0 0.1 0.2 0
0
0 0.3
[1] 5msa.a - 0.1 0.8 0 0.3 0.1 0.2 0.5 0.1 0.1 0.2 0.1 0.2 0.3
0
0.7
[1] 5msb.b - 0.1 0.8 0.2 0.1 0.4 0.3 0.1 0.1 0 0.1 0.2 0.1 0.1 0
0.3
[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
1jcz.a
1jd0.a
4ht2.a
4kp5.b
4kp8.b
4q0l.c
4qj0.c
4qjo.b
4qjw.a
4ww8.a
5ll5.a
5ll9.a
5llo.a
5llp.b
5msa.a
5msb.b
[1] 1jcz.a
0
.06 .07 .06 .05 .06 .07 .07 .07 .07 .08 .08 .07 .07 .08 .07
[1] 1jd0.a .06
0
.05 .05 .05 .05 .04 .03 .05 .04 .05 .06 .06 .06 .06 .07
[1] 4ht2.a .07 .05
0
.06 .04 .05 .05 .05 .04 .04 .04 .05 .04 .07 .05 .07
[1] 4kp5.b .06 .05 .06
0
.05 .05 .07 .05 .03 .03 .05 .04 .05 .03 .04 .02
[1] 4kp8.b .05 .05 .04 .05
0
.01 .06 .03 .04 .03 .04 .06 .05 .05 .05 .05
[1] 4q0l.c .06 .05 .05 .05 .01
0
.05 .04 .04 .02 .03 .05 .04 .05 .04 .05
[1] 4qj0.c .07 .04 .05 .07 .06 .05
0
.05 .05 .05 .06 .03 .05 .05 .03 .06
[1] 4qjo.b .07 .03 .05 .05 .03 .04 .05
0
.05 .03 .04 .05 .05 .05 .05 .05
[1] 4qjw.a .07 .05 .04 .03 .04 .04 .05 .05
0
.02 .02 .04 .03 .04 .04 .05
[1] 4ww8.a .07 .04 .04 .03 .03 .02 .05 .03 .02
0
.01 .03 .02 .05 .03 .05
[1] 5ll5.a .08 .05 .04 .05 .04 .03 .06 .04 .02 .01
0
.04 .03 .06 .05 .06
[1] 5ll9.a .08 .06 .05 .04 .06 .05 .03 .05 .04 .03 .04
0
.03 .05 .03 .05
[1] 5llo.a .07 .06 .04 .05 .05 .04 .05 .05 .03 .02 .03 .03
0
.05 .04 .05
[1] 5llp.b .07 .06 .07 .03 .05 .05 .05 .05 .04 .05 .06 .05 .05
0
.04 .02
[1] 5msa.a .08 .06 .05 .04 .05 .04 .03 .05 .04 .03 .05 .03 .04 .04
0
.03
[1] 5msb.b .07 .07 .07 .02 .05 .05 .06 .05 .05 .05 .06 .05 .05 .02 .03
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
1jcz.a
1jd0.a
4ht2.a
4kp5.b
4kp8.b
4q0l.c
4qj0.c
4qjo.b
4qjw.a
4ww8.a
5ll5.a
5ll9.a
5llo.a
5llp.b
5msa.a
5msb.b
[1] 1jcz.a
0
0.2 0.5 0.3 0.3 0.3 0.4 0.3 0.2 0.2 0.2 0.3 0.3 0.6 0.2 0.4
[1] 1jd0.a 0.2
0
0.5 0.3 0.3 0.3 0.4 0.2 0.2 0.2 0.2 0.3 0.3 0.6 0.2 0.4
[1] 4ht2.a 0.5 0.5
0
0.5 0.5 0.5 0.7 0.5 0.4 0.4 0.3 0.5 0.5 0.7 0.5 0.6
[1] 4kp5.b 0.3 0.3 0.5
0
0.3 0.3 0.5 0.2 0.3 0.3 0.3 0.3 0.3 0.5 0.3 0.2
[1] 4kp8.b 0.3 0.3 0.5 0.3
0
0.3 0.5 0.2 0.3 0.2 0.3 0.4 0.3 0.5 0.3 0.3
[1] 4q0l.c 0.3 0.3 0.5 0.3 0.3
0
0.5 0.2 0.2 0.2 0.3 0.3 0.3 0.5 0.3 0.4
[1] 4qj0.c 0.4 0.4 0.7 0.5 0.5 0.5
0
0.5 0.4 0.4 0.4 0.3 0.4 0.8 0.3 0.6
[1] 4qjo.b 0.3 0.2 0.5 0.2 0.2 0.2 0.5
0
0.3 0.2 0.3 0.4 0.3 0.5 0.3 0.3
[1] 4qjw.a 0.2 0.2 0.4 0.3 0.3 0.2 0.4 0.3
0
0.2 0.2 0.2 0.2 0.6 0.2 0.4
[1] 4ww8.a 0.2 0.2 0.4 0.3 0.2 0.2 0.4 0.2 0.2
0
0.2 0.2 0.2 0.6 0.2 0.4
[1] 5ll5.a 0.2 0.2 0.3 0.3 0.3 0.3 0.4 0.3 0.2 0.2
0
0.2 0.2 0.6 0.2 0.4
[1] 5ll9.a 0.3 0.3 0.5 0.3 0.4 0.3 0.3 0.4 0.2 0.2 0.2
0
0.2 0.6 0.2 0.4
[1] 5llo.a 0.3 0.3 0.5 0.3 0.3 0.3 0.4 0.3 0.2 0.2 0.2 0.2
0
0.5 0.3 0.4
[1] 5llp.b 0.6 0.6 0.7 0.5 0.5 0.5 0.8 0.5 0.6 0.6 0.6 0.6 0.5
0
0.6 0.5
[1] 5msa.a 0.2 0.2 0.5 0.3 0.3 0.3 0.3 0.3 0.2 0.2 0.2 0.2 0.3 0.6
0
0.4
[1] 5msb.b 0.4 0.4 0.6 0.2 0.3 0.4 0.6 0.3 0.4 0.4 0.4 0.4 0.4 0.5 0.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 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
1jcz.a
1jd0.a
4ht2.a
4kp5.b
4kp8.b
4q0l.c
4qj0.c
4qjo.b
4qjw.a
4ww8.a
5ll5.a
5ll9.a
5llo.a
5llp.b
5msa.a
5msb.b
[1] 1jcz.a
0
0.5 0.6 0.6 0.5 0.5 0.7 0.5 0.5 0.5 0.5 0.5 0.5 0.8 0.5 0.6
[1] 1jd0.a 0.5
0
0.5 0.5 0.4 0.5 0.5 0.4 0.3 0.4 0.4 0.4 0.4 0.7 0.3 0.5
[1] 4ht2.a 0.6 0.5
0
0.7 0.6 0.6 0.7 0.5 0.4 0.4 0.3 0.5 0.5 0.8 0.5 0.6
[1] 4kp5.b 0.6 0.5 0.7
0
0.6 0.6 0.7 0.5 0.5 0.6 0.5 0.5 0.6 0.6 0.5 0.5
[1] 4kp8.b 0.5 0.4 0.6 0.6
0
0.3 0.7 0.3 0.4 0.3 0.4 0.5 0.4 0.7 0.5 0.4
[1] 4q0l.c 0.5 0.5 0.6 0.6 0.3
0
0.7 0.4 0.4 0.3 0.4 0.5 0.4 0.7 0.4 0.5
[1] 4qj0.c 0.7 0.5 0.7 0.7 0.7 0.7
0
0.7 0.6 0.6 0.6 0.5 0.6 0.9 0.4 0.7
[1] 4qjo.b 0.5 0.4 0.5 0.5 0.3 0.4 0.7
0
0.4 0.3 0.4 0.5 0.4 0.7 0.4 0.3
[1] 4qjw.a 0.5 0.3 0.4 0.5 0.4 0.4 0.6 0.4
0
0.3 0.3 0.4 0.3 0.7 0.3 0.5
[1] 4ww8.a 0.5 0.4 0.4 0.6 0.3 0.3 0.6 0.3 0.3
0
0.2 0.4 0.3 0.7 0.3 0.5
[1] 5ll5.a 0.5 0.4 0.3 0.5 0.4 0.4 0.6 0.4 0.3 0.2
0
0.3 0.3 0.8 0.3 0.4
[1] 5ll9.a 0.5 0.4 0.5 0.5 0.5 0.5 0.5 0.5 0.4 0.4 0.3
0
0.4 0.8 0.2 0.5
[1] 5llo.a 0.5 0.4 0.5 0.6 0.4 0.4 0.6 0.4 0.3 0.3 0.3 0.4
0
0.6 0.4 0.4
[1] 5llp.b 0.8 0.7 0.8 0.6 0.7 0.7 0.9 0.7 0.7 0.7 0.8 0.8 0.6
0
0.8 0.7
[1] 5msa.a 0.5 0.3 0.5 0.5 0.5 0.4 0.4 0.4 0.3 0.3 0.3 0.2 0.4 0.8
0
0.5
[1] 5msb.b 0.6 0.5 0.6 0.5 0.4 0.5 0.7 0.3 0.5 0.5 0.4 0.5 0.4 0.7 0.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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