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CAH5A_MOUSE_52_299

Carbonic anhydrase 5A, mitochondrial [Alpha-carbonic anhydrase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CAH5A_MOUSE):D: Alpha-carbonic anhydrase (124, 126, 149, 151, 161, 165, 173, 228:230, 239)
R: Substrate binding (229, 230)
124, 126, 149, 151, 161, 165, 173, 228:230, 239
Metals (Me):Zn

Full PDB list

1dmx, 1dmy, 1keq, 1urt (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
H
1
2
4
H
1
2
6
H
1
4
9
V
1
5
1
Y
1
6
1
S
1
6
5
L
2
2
8
T
2
2
9
T
2
3
0
W
2
3
9
[1]1dmx.a none . . . . . . . . . . Zn
[1]1dmy.a azm13 . . . . . . . . . . Zn
[1]1keq.a none . . . . C . . . . . Zn
[1]1keq.b none . . . . C . . . . . 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
H
1
2
4
H
1
2
6
H
1
4
9
V
1
5
1
Y
1
6
1
S
1
6
5
V
1
7
3
L
2
2
8
T
2
2
9
T
2
3
0
W
2
3
9
[1]1dmx.a . . . . . . . . . . . Zn
[1]1dmy.a . . . . . . . . . . . Zn
[1]1keq.a . . . . C . . . . . . Zn
[1]1keq.b . . . . C . . . . . . 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
1dmx.a is apo
1dmy.a:azm
1keq.a is apo
1keq.b is apo
[1] 1dmx.a
-
0.2 - -
[1] 1dmy.a -
0
- -
[1] 1keq.a - 0.1
-
-
[1] 1keq.b - 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
1dmx.a
1dmy.a
1keq.a
1keq.b
[1] 1dmx.a
0
.02 .01 .01
[1] 1dmy.a .02
0
.01 .01
[1] 1keq.a .01 .01
0
0
[1] 1keq.b .01 .01 0
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
1dmx.a
1dmy.a
1keq.a
1keq.b
[1] 1dmx.a
0
0.2 0.3 0.3
[1] 1dmy.a 0.2
0
0.3 0.3
[1] 1keq.a 0.3 0.3
0
0.1
[1] 1keq.b 0.3 0.3 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
1dmx.a
1dmy.a
1keq.a
1keq.b
[1] 1dmx.a
0
0.2 0.3 0.3
[1] 1dmy.a 0.2
0
0.3 0.3
[1] 1keq.a 0.3 0.3
0
0.1
[1] 1keq.b 0.3 0.3 0.1
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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