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CAH9_HUMAN_136_392

Carbonic anhydrase 9 [Alpha-carbonic anhydrase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CAH9_HUMAN):R: Catalytic (224, 226, 228, 251, 253, 262, 263, 266, 331, 335, 342)
D: Alpha-carbonic anhydrase (224, 226, 228, 251, 253, 262, 263, 266, 331:333, 335, 342)
R: Substrate binding (332, 333)
224, 226, 228, 251, 253, 262, 263, 266, 331:333, 335, 342
Metals (Me):Zn

Full PDB list

3iai, 5dvx, 5fl4, 5fl5, 5fl6

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
Q
2
2
4
H
2
2
6
H
2
2
8
H
2
5
1
V
2
5
3
V
2
6
2
D
2
6
3
L
2
6
6
L
3
3
1
T
3
3
2
T
3
3
3
P
3
3
5
W
3
4
2
[1]3iai.a azm13 . . . . . . . . . . . . . Zn
[1]5dvx.a none . . . . . . . . . . . . . Zn
[1]5fl4.a 9fk24 . . . . . . . . . . . . . Zn
[1]5fl5.a 82e22 . . . . . . . . . . . . . Zn
[1]5fl6.a y0r21 . . . . . . . . . . . . . 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
Q
2
2
4
H
2
2
6
H
2
2
8
H
2
5
1
V
2
5
3
V
2
6
2
D
2
6
3
L
2
6
6
L
3
3
1
T
3
3
2
T
3
3
3
P
3
3
5
W
3
4
2
[1]3iai.a . . . . . . . . . . . . . Zn
[1]5dvx.a . . . . . . . . . . . . . Zn
[1]5fl4.a . . . . . . . . . . . . . Zn
[1]5fl5.a . . . . . . . . . . . . . Zn
[1]5fl6.a . . . . . . . . . . . . . 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
3iai.a:azm
5dvx.a is apo
5fl4.a:9fk
5fl5.a:82e
5fl6.a:y0r
[1] 3iai.a
0
- 0.2 0.1 0.1
[1] 5dvx.a 0.1
-
0.2 0.1 0.1
[1] 5fl4.a 0 -
0
0 0
[1] 5fl5.a 0 - 0.1
0
0
[1] 5fl6.a 0 - 0.1 0
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
3iai.a
5dvx.a
5fl4.a
5fl5.a
5fl6.a
[1] 3iai.a
0
.01 .02 .02 .02
[1] 5dvx.a .01
0
.02 .02 .01
[1] 5fl4.a .02 .02
0
.01 .01
[1] 5fl5.a .02 .02 .01
0
.02
[1] 5fl6.a .02 .01 .01 .02
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.3 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
3iai.a
5dvx.a
5fl4.a
5fl5.a
5fl6.a
[1] 3iai.a
0
0.2 0.2 0.2 0.2
[1] 5dvx.a 0.2
0
0.3 0.3 0.3
[1] 5fl4.a 0.2 0.3
0
0.1 0.1
[1] 5fl5.a 0.2 0.3 0.1
0
0.1
[1] 5fl6.a 0.2 0.3 0.1 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

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
3iai.a
5dvx.a
5fl4.a
5fl5.a
5fl6.a
[1] 3iai.a
0
0.3 0.4 0.2 0.3
[1] 5dvx.a 0.3
0
0.4 0.3 0.4
[1] 5fl4.a 0.4 0.4
0
0.3 0.2
[1] 5fl5.a 0.2 0.3 0.3
0
0.2
[1] 5fl6.a 0.3 0.4 0.2 0.2
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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