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CP2B6_HUMAN_20_491_peripheralCM5

Cytochrome P450 2B6 [Cytochrome P450 family]

Composition of the binding site

Protein chains monomer
A1 (CP2B6_HUMAN):39, 40, 43, 72, 216, 220, 222:22639, 40, 43, 72, 216, 220, 222:226

Full PDB list

3ibd, 3qoa, 3qu8, 3ua5, 4i91, 4rql, 4rrt, 4zv8, 5uap, 5uda, 5uec, 5ufg (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
F
2
2
0
F
2
2
3
[1]3qu8.a none . .
[1]5ufg.a cm512 . .

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
L
3
9
L
4
0
L
4
3
P
7
2
L
2
1
6
F
2
2
0
G
2
2
2
F
2
2
3
L
2
2
4
K
2
2
5
Y
2
2
6
[1]3qu8.a . . . . . . . . . . H
[1]5ufg.a . . . . . . . . . . H

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
3qu8.a is apo
5ufg.a:cm5
[1] 3qu8.a
-
0
[1] 5ufg.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
3qu8.a
5ufg.a
[1] 3qu8.a
0
0
[1] 5ufg.a 0
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
3qu8.a
5ufg.a
[1] 3qu8.a
0
0.3
[1] 5ufg.a 0.3
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
3qu8.a
5ufg.a
[1] 3qu8.a
0
0.8
[1] 5ufg.a 0.8
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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