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CHOD_BREST_46_552

Cholesterol oxidase [GMC oxidoreductase family]

Composition of the binding site

Protein chains monomer
A1 (CHOD_BREST):104, 120:122, 128, 165, 167, 262, 370, 387, 389, 406, 408, 411, 420, 491104, 120:122, 128, 165, 167, 262, 370, 387, 389, 406, 408, 411, 420, 491
Cofactors (cF):fad

Full PDB list

1coy, 3cox

Pocket contact map

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PDB.ch
   
ligand
A1 cF
M
1
0
4
Q
1
2
0
P
1
2
1
V
1
2
2
F
1
2
8
G
1
6
5
V
2
6
2
M
3
7
0
T
3
8
7
P
3
8
9
A
4
0
8
P
4
1
1
L
4
2
0
Y
4
9
1
[1]1coy.a and21 . . . . . . . . . . . . . . fad
[1]3cox.a none . . . . . . . . . . . . . . fad

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 cF
M
1
0
4
Q
1
2
0
P
1
2
1
V
1
2
2
F
1
2
8
G
1
6
5
M
1
6
7
V
2
6
2
M
3
7
0
T
3
8
7
P
3
8
9
E
4
0
6
A
4
0
8
P
4
1
1
L
4
2
0
Y
4
9
1
[1]1coy.a . . . . . . . . . . . . . . . . fad
[1]3cox.a . . . . . . . . . . . . . . . . fad

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
1coy.a:and
3cox.a is apo
[1] 1coy.a
0
-
[1] 3cox.a 1.3
-
[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
1coy.a
3cox.a
[1] 1coy.a
0
.08
[1] 3cox.a .08
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.4 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
1coy.a
3cox.a
[1] 1coy.a
0
0.5
[1] 3cox.a 0.5
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
1coy.a
3cox.a
[1] 1coy.a
0
0.7
[1] 3cox.a 0.7
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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