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CYPA2_RHOPA_1_412

Cytochrome p450 CYP199A2 [Cytochrome P450 family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CYPA2_RHOPA):R: Substrate binding (94, 97)
99, 100, 184, 185, 188, 247, 250, 251, 301
94, 97, 99, 100, 184, 185, 188, 247, 250, 251, 301
Cofactors (cF):hem
Metals (Me):Fe

Full PDB list

2fr7, 4dnj

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF Me
R
9
4
S
9
7
L
1
0
0
F
1
8
5
F
1
8
8
S
2
4
7
S
2
5
0
A
2
5
1
F
3
0
1
[1]2fr7.a none . . . . . . . . . hem Fe
[1]4dnj.a ann11 . . . . . . . . . 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
R
9
4
S
9
7
I
9
9
L
1
0
0
V
1
8
4
F
1
8
5
F
1
8
8
S
2
4
7
S
2
5
0
A
2
5
1
F
3
0
1
[1]2fr7.a . . . . . . . . . . . hem Fe
[1]4dnj.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
2fr7.a is apo
4dnj.a:ann
[1] 2fr7.a
-
0.3
[1] 4dnj.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
2fr7.a
4dnj.a
[1] 2fr7.a
0
.03
[1] 4dnj.a .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.0 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
2fr7.a
4dnj.a
[1] 2fr7.a
0
0.9
[1] 4dnj.a 0.9
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.5 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
2fr7.a
4dnj.a
[1] 2fr7.a
0
2.0
[1] 4dnj.a 2.0
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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