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CYPC_BACSU_1_417

Fatty-acid peroxygenase [Cytochrome P450 family]

Composition of the binding site

Protein chains monomer
A1 (CYPC_BACSU):42, 70, 74, 78, 79, 170, 173, 174, 242, 243, 289:29342, 70, 74, 78, 79, 170, 173, 174, 242, 243, 289:293
Cofactors (cF):hem
Metals (Me):Fe

Full PDB list

1izo, 2zqj, 2zqx (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1 cF Me
L
4
2
V
7
4
L
7
8
V
1
7
0
F
1
7
3
R
2
4
2
F
2
8
9
G
2
9
0
P
2
9
1
F
2
9
2
[1]1izo.c pam18 . . . . . . . . . . hem Fe
[1]2zqx.a none . . . . . . . . . . hem Fe

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 Me
L
4
2
L
7
0
V
7
4
L
7
8
F
7
9
V
1
7
0
F
1
7
3
G
1
7
4
R
2
4
2
P
2
4
3
F
2
8
9
G
2
9
0
P
2
9
1
F
2
9
2
L
2
9
3
[1]1izo.c . . . . . . . . . . . . . . . hem Fe
[1]2zqx.a . . . . . . . . . . . . . . . hem Fe

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
1izo.c:pam
2zqx.a is apo
[1] 1izo.c
0
-
[1] 2zqx.a 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
1izo.c
2zqx.a
[1] 1izo.c
0
.01
[1] 2zqx.a .01
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
1izo.c
2zqx.a
[1] 1izo.c
0
0.3
[1] 2zqx.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
1izo.c
2zqx.a
[1] 1izo.c
0
0.5
[1] 2zqx.a 0.5
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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