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C167_SORCE_1_419

Epothilone C/D epoxidase [Cytochrome P450 family]

Composition of the binding site

Protein chains monomer
A1 (C167_SORCE):71, 90, 95, 96, 180, 183, 184, 187, 188, 250, 253, 254, 258, 301, 304:306, 327, 402, 40371, 90, 95, 96, 180, 183, 184, 187, 188, 250, 253, 254, 258, 301, 304:306, 327, 402, 403
Cofactors (cF):hem
Metals (Me):Fe

Full PDB list

1pkf, 1q5d, 1q5e

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF Me
R
7
1
M
9
0
L
9
5
F
9
6
A
1
8
0
L
1
8
3
G
1
8
4
V
1
8
8
A
2
5
0
A
2
5
4
T
2
5
8
L
3
0
1
G
3
0
4
T
3
0
5
V
3
0
6
F
3
2
7
A
4
0
2
F
4
0
3
[1]1pkf.a epd34 . . . . . . . . . . . . . . . . . . hem Fe
[1]1q5d.a epb35 . . . . . . . . . . . . . . . . . . hem Fe
[1]1q5e.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

[download in TSV format]
   
PDB.ch
A1 cF Me
R
7
1
M
9
0
L
9
5
F
9
6
A
1
8
0
L
1
8
3
G
1
8
4
L
1
8
7
V
1
8
8
A
2
5
0
A
2
5
3
A
2
5
4
T
2
5
8
L
3
0
1
G
3
0
4
T
3
0
5
V
3
0
6
F
3
2
7
A
4
0
2
F
4
0
3
[1]1pkf.a . . . . . . . . . . . . . . . . . . . . hem Fe
[1]1q5d.a . . . . . . . . . . . . . . . . . . . . hem Fe
[1]1q5e.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
1pkf.a:epd
1q5d.a:epb
1q5e.a is apo
[1] 1pkf.a
0
0 -
[1] 1q5d.a 0
0
-
[1] 1q5e.a 0.4 0.3
-
[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
1pkf.a
1q5d.a
1q5e.a
[1] 1pkf.a
0
0 .02
[1] 1q5d.a 0
0
.02
[1] 1q5e.a .02 .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
1pkf.a
1q5d.a
1q5e.a
[1] 1pkf.a
0
0.1 1.0
[1] 1q5d.a 0.1
0
1.0
[1] 1q5e.a 1.0 1.0
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
1pkf.a
1q5d.a
1q5e.a
[1] 1pkf.a
0
0.2 1.4
[1] 1q5d.a 0.2
0
1.5
[1] 1q5e.a 1.4 1.5
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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