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CAH4_MOUSE_22_279

Carbonic anhydrase 4 [Alpha-carbonic anhydrase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CAH4_MOUSE):D: Alpha-carbonic anhydrase (85, 112, 114, 116, 139, 141, 156, 217:219, 228)
R: Substrate binding (218, 219)
85, 112, 114, 116, 139, 141, 156, 217:219, 228
Metals (Me):Zn

Full PDB list

2znc, 3znc

Pocket contact map

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PDB.ch
   
ligand
A1 Me
Q
1
1
2
H
1
1
4
H
1
1
6
H
1
3
9
V
1
4
1
F
1
5
6
L
2
1
7
T
2
1
8
T
2
1
9
W
2
2
8
[1]2znc.a none . . . . . . . . . . Zn
[1]3znc.a bz123 . . . . . . . . . . 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

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PDB.ch
A1 Me
N
8
5
Q
1
1
2
H
1
1
4
H
1
1
6
H
1
3
9
V
1
4
1
F
1
5
6
L
2
1
7
T
2
1
8
T
2
1
9
W
2
2
8
[1]2znc.a . . . . . . . . . . . Zn
[1]3znc.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
2znc.a is apo
3znc.a:bz1
[1] 2znc.a
-
0.2
[1] 3znc.a -
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
2znc.a
3znc.a
[1] 2znc.a
0
.02
[1] 3znc.a .02
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.2 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
2znc.a
3znc.a
[1] 2znc.a
0
0.2
[1] 3znc.a 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.1 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
2znc.a
3znc.a
[1] 2znc.a
0
0.4
[1] 3znc.a 0.4
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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