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CP124_MYCTU_1_428

Methyl-branched lipid omega-hydroxylase [Cytochrome P450 family]

Composition of the binding site

Protein chains monomer
A1 (CP124_MYCTU):60, 63, 97, 107, 198, 212, 263, 266, 267, 271, 315, 31860, 63, 97, 107, 198, 212, 263, 266, 267, 271, 315, 318
Cofactors (cF):hem
Metals (Me):Fe

Full PDB list

2wm4, 2wm5

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF Me
L
6
0
F
6
3
N
9
7
F
1
0
7
L
1
9
8
F
2
1
2
V
2
6
6
A
2
6
7
V
3
1
5
M
3
1
8
[1]2wm4.a vgj22 . . . . . . . . . . hem Fe
[1]2wm5.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
6
0
F
6
3
N
9
7
F
1
0
7
L
1
9
8
F
2
1
2
L
2
6
3
V
2
6
6
A
2
6
7
T
2
7
1
V
3
1
5
M
3
1
8
[1]2wm4.a . . . . . . . . . . . . hem Fe
[1]2wm5.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
2wm4.a:vgj
2wm5.a is apo
[1] 2wm4.a
0
-
[1] 2wm5.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
2wm4.a
2wm5.a
[1] 2wm4.a
0
.11
[1] 2wm5.a .11
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.3 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
2wm4.a
2wm5.a
[1] 2wm4.a
0
2.2
[1] 2wm5.a 2.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.1 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
2wm4.a
2wm5.a
[1] 2wm4.a
0
2.6
[1] 2wm5.a 2.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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