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CP7A1_HUMAN_24_502

Cholesterol 7-alpha-monooxygenase [Cytochrome P450 family]

Composition of the binding site

Protein chains monomer
A1 (CP7A1_HUMAN):101, 104, 105, 114, 125, 129, 260, 278, 281, 284, 285, 289, 360, 361, 485, 486101, 104, 105, 114, 125, 129, 260, 278, 281, 284, 285, 289, 360, 361, 485, 486
Cofactors (cF):hem
Metals (Me):Fe

Full PDB list

3dax, 3sn5, 3v8d

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF Me
H
1
0
1
T
1
0
4
S
1
0
5
I
1
1
4
I
1
2
5
F
1
2
9
R
2
6
0
T
2
7
8
V
2
8
1
W
2
8
4
A
2
8
5
N
2
8
9
S
3
6
0
L
3
6
1
G
4
8
5
L
4
8
6
[1]3dax.a none . . . . . . . . . . . . . . . . hem Fe
[1]3sn5.a k2b28 . L . . . . . . . . . . . . . . hem Fe
[1]3v8d.a 0gv29 . L . . . . . . . . . . . . . . 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
H
1
0
1
T
1
0
4
S
1
0
5
I
1
1
4
I
1
2
5
F
1
2
9
R
2
6
0
T
2
7
8
V
2
8
1
W
2
8
4
A
2
8
5
N
2
8
9
S
3
6
0
L
3
6
1
G
4
8
5
L
4
8
6
[1]3dax.a . . . . . . . . . . . . . . . . hem Fe
[1]3sn5.a . L . . . . . . . . . . . . . . hem Fe
[1]3v8d.a . L . . . . . . . . . . . . . . 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
3dax.a is apo
3sn5.a:k2b
3v8d.a:0gv
[1] 3dax.a
-
0.2 0
[1] 3sn5.a -
0
0
[1] 3v8d.a - 0
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
3dax.a
3sn5.a
3v8d.a
[1] 3dax.a
0
.01 .01
[1] 3sn5.a .01
0
0
[1] 3v8d.a .01 0
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.6 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
3dax.a
3sn5.a
3v8d.a
[1] 3dax.a
0
0.5 0.4
[1] 3sn5.a 0.5
0
0.2
[1] 3v8d.a 0.4 0.2
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
3dax.a
3sn5.a
3v8d.a
[1] 3dax.a
0
0.6 0.6
[1] 3sn5.a 0.6
0
0.6
[1] 3v8d.a 0.6 0.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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