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CAH13_HUMAN_1_262

Carbonic anhydrase 13 [Alpha-carbonic anhydrase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CAH13_HUMAN):D: Alpha-carbonic anhydrase (6, 63, 65, 66, 68, 92, 93, 95, 97, 120, 122, 132, 133, 136, 137, 142, 144, 199:201, 203, 205, 208, 210)
R: Substrate binding (200, 201)
6, 63, 65, 66, 68, 92, 93, 95, 97, 120, 122, 132, 133, 136, 137, 142, 144, 199:201, 203, 205, 208, 210
Metals (Me):Zn

Full PDB list

3czv, 3d0n, 3da2, 4hu1, 4knm, 4knn, 4qiz, 4qjp, 4qjx, 4qsj, 5e2n, 5lla, 5lln

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
W
6
S
6
3
H
6
5
S
6
6
N
6
8
R
9
2
Q
9
3
H
9
5
H
9
7
H
1
2
0
V
1
2
2
F
1
3
2
V
1
3
3
A
1
3
6
H
1
3
7
L
1
4
2
V
1
4
4
L
1
9
9
T
2
0
0
V
2
0
1
P
2
0
3
L
2
0
5
V
2
0
8
W
2
1
0
[1]3czv.a azm13 . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3d0n.a none . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3da2.a 4md23 . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4hu1.a v1320 . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4knm.b e1e23 . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4knn.a e1f21 . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4qiz.a wwx35 . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4qjp.b v1f32 . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4qjx.a wwo27 . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4qsj.b eww23 . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5e2n.b v1428 . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5lla.b 6yq23 . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5lln.b 3tv18 . . . . . . . . . . . . . . . . . . . . . . . . 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
6
S
6
3
H
6
5
S
6
6
N
6
8
R
9
2
Q
9
3
H
9
5
H
9
7
H
1
2
0
V
1
2
2
F
1
3
2
V
1
3
3
A
1
3
6
H
1
3
7
L
1
4
2
V
1
4
4
L
1
9
9
T
2
0
0
V
2
0
1
P
2
0
3
L
2
0
5
V
2
0
8
W
2
1
0
[1]3czv.a . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3d0n.a . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3da2.a . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4hu1.a . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4knm.b . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4knn.a . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4qiz.a . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4qjp.b . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4qjx.a . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4qsj.b . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5e2n.b . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5lla.b . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5lln.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
3czv.a:azm
3d0n.a is apo
3da2.a:4md
4hu1.a:v13
4knm.b:e1e
4knn.a:e1f
4qiz.a:wwx
4qjp.b:v1f
4qjx.a:wwo
4qsj.b:eww
5e2n.b:v14
5lla.b:6yq
5lln.b:3tv
[1] 3czv.a
0
- 0.1 0.1 0.1 0.2 0.3 0.1 0.5 0.3 0.3 0.2 0.1
[1] 3d0n.a 0.1
-
0.4 0.2 0.2 0.1 0.9 0.2 0.6 0.6 0.3 0.1 0.3
[1] 3da2.a 0.1 -
0.1
0.3 0.3 0.4 0.9 0.4 0.2 0.9 0.6 0.4 0.2
[1] 4hu1.a 0.1 - 0.3
0.1
0.1 0.1 0.3 0.2 0.2 0.3 0.4 0.2 0
[1] 4knm.b 0 - 0.2 0
0
0 0.2 0.1 0.2 0.1 0.4 0 0
[1] 4knn.a 0 - 0.3 0 0.1
0
0.6 0.3 0.4 0 0.4 0 0.1
[1] 4qiz.a 0.1 - 0.4 0 0.1 0.1
0.2
0.1 0.1 0.4 0.4 0.1 0
[1] 4qjp.b 0.1 - 0.4 0 0.3 0.1 0.2
0.2
0.1 0.6 0.3 0.1 0
[1] 4qjx.a 0 - 0.2 0.1 0.2 0.1 0.3 0.2
0
0.7 0.3 0.1 0
[1] 4qsj.b 0 - 0.2 0.2 0 0 0.6 0.2 0.2
0.1
0.4 0 0.1
[1] 5e2n.b 0.1 - 0.2 0 0.1 0.1 0.3 0.1 0.1 0.2
0.4
0.1 0
[1] 5lla.b 0.1 - 0.3 0.2 0 0 0.5 0.3 0.3 0.1 0.4
0
0.1
[1] 5lln.b 0.2 - 0.3 0.3 0.1 0.1 0.6 0.3 0.3 0.5 0.5 0.1
0
[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
3czv.a
3d0n.a
3da2.a
4hu1.a
4knm.b
4knn.a
4qiz.a
4qjp.b
4qjx.a
4qsj.b
5e2n.b
5lla.b
5lln.b
[1] 3czv.a
0
.05 .06 .02 .03 .03 .03 .04 .03 .03 .03 .03 .03
[1] 3d0n.a .05
0
.08 .05 .05 .05 .05 .05 .06 .05 .05 .05 .05
[1] 3da2.a .06 .08
0
.05 .06 .08 .05 .08 .06 .06 .05 .07 .05
[1] 4hu1.a .02 .05 .05
0
.02 .03 .01 .04 .04 .02 .01 .03 .03
[1] 4knm.b .03 .05 .06 .02
0
.02 .03 .04 .03 .02 .03 .03 .03
[1] 4knn.a .03 .05 .08 .03 .02
0
.02 .04 .03 .01 .02 .01 .04
[1] 4qiz.a .03 .05 .05 .01 .03 .02
0
.03 .03 .02 .01 .02 .03
[1] 4qjp.b .04 .05 .08 .04 .04 .04 .03
0
.03 .03 .03 .03 .04
[1] 4qjx.a .03 .06 .06 .04 .03 .03 .03 .03
0
.03 .03 .03 .03
[1] 4qsj.b .03 .05 .06 .02 .02 .01 .02 .03 .03
0
.01 .01 .03
[1] 5e2n.b .03 .05 .05 .01 .03 .02 .01 .03 .03 .01
0
.02 .02
[1] 5lla.b .03 .05 .07 .03 .03 .01 .02 .03 .03 .01 .02
0
.03
[1] 5lln.b .03 .05 .05 .03 .03 .04 .03 .04 .03 .03 .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
3czv.a
3d0n.a
3da2.a
4hu1.a
4knm.b
4knn.a
4qiz.a
4qjp.b
4qjx.a
4qsj.b
5e2n.b
5lla.b
5lln.b
[1] 3czv.a
0
0.3 0.3 0.2 0.2 0.3 0.2 0.3 0.2 0.2 0.2 0.2 0.3
[1] 3d0n.a 0.3
0
0.2 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.2 0.3 0.3
[1] 3da2.a 0.3 0.2
0
0.2 0.3 0.3 0.2 0.3 0.3 0.2 0.2 0.2 0.3
[1] 4hu1.a 0.2 0.3 0.2
0
0.2 0.3 0.2 0.3 0.2 0.2 0.1 0.1 0.2
[1] 4knm.b 0.2 0.3 0.3 0.2
0
0.3 0.2 0.3 0.2 0.2 0.2 0.2 0.2
[1] 4knn.a 0.3 0.3 0.3 0.3 0.3
0
0.2 0.1 0.2 0.3 0.3 0.3 0.3
[1] 4qiz.a 0.2 0.3 0.2 0.2 0.2 0.2
0
0.2 0.1 0.2 0.1 0.1 0.2
[1] 4qjp.b 0.3 0.3 0.3 0.3 0.3 0.1 0.2
0
0.2 0.3 0.3 0.3 0.3
[1] 4qjx.a 0.2 0.3 0.3 0.2 0.2 0.2 0.1 0.2
0
0.2 0.2 0.2 0.2
[1] 4qsj.b 0.2 0.3 0.2 0.2 0.2 0.3 0.2 0.3 0.2
0
0.1 0.1 0.2
[1] 5e2n.b 0.2 0.2 0.2 0.1 0.2 0.3 0.1 0.3 0.2 0.1
0
0.1 0.2
[1] 5lla.b 0.2 0.3 0.2 0.1 0.2 0.3 0.1 0.3 0.2 0.1 0.1
0
0.2
[1] 5lln.b 0.3 0.3 0.3 0.2 0.2 0.3 0.2 0.3 0.2 0.2 0.2 0.2
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
3czv.a
3d0n.a
3da2.a
4hu1.a
4knm.b
4knn.a
4qiz.a
4qjp.b
4qjx.a
4qsj.b
5e2n.b
5lla.b
5lln.b
[1] 3czv.a
0
0.5 0.8 0.6 0.6 0.7 0.6 0.6 0.6 0.6 0.6 0.7 0.7
[1] 3d0n.a 0.5
0
0.8 0.6 0.7 0.8 0.7 0.7 0.7 0.7 0.7 0.8 0.7
[1] 3da2.a 0.8 0.8
0
0.8 0.8 0.8 0.8 0.8 0.8 0.7 0.7 0.8 0.8
[1] 4hu1.a 0.6 0.6 0.8
0
0.2 0.7 0.2 0.4 0.5 0.4 0.3 0.5 0.3
[1] 4knm.b 0.6 0.7 0.8 0.2
0
0.7 0.3 0.4 0.5 0.5 0.3 0.5 0.4
[1] 4knn.a 0.7 0.8 0.8 0.7 0.7
0
0.7 0.6 0.6 0.6 0.6 0.7 0.6
[1] 4qiz.a 0.6 0.7 0.8 0.2 0.3 0.7
0
0.3 0.4 0.5 0.3 0.5 0.4
[1] 4qjp.b 0.6 0.7 0.8 0.4 0.4 0.6 0.3
0
0.5 0.5 0.3 0.5 0.4
[1] 4qjx.a 0.6 0.7 0.8 0.5 0.5 0.6 0.4 0.5
0
0.5 0.5 0.6 0.5
[1] 4qsj.b 0.6 0.7 0.7 0.4 0.5 0.6 0.5 0.5 0.5
0
0.3 0.5 0.3
[1] 5e2n.b 0.6 0.7 0.7 0.3 0.3 0.6 0.3 0.3 0.5 0.3
0
0.4 0.3
[1] 5lla.b 0.7 0.8 0.8 0.5 0.5 0.7 0.5 0.5 0.6 0.5 0.4
0
0.4
[1] 5lln.b 0.7 0.7 0.8 0.3 0.4 0.6 0.4 0.4 0.5 0.3 0.3 0.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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