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C1581_STRCO_1_407

Biflaviolin synthase CYP158A1 [Cytochrome P450 family]

Composition of the binding site

Protein chains monomer
A1 (C1581_STRCO):88:90, 92, 195, 19988:90, 92, 195, 199
Metals (Me):Fe

Full PDB list

2dkk, 2nz5, 2nza (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1 Me
H
8
8
F
8
9
K
9
0
R
9
2
K
1
9
5
Y
1
9
9
[1]2dkk.a none . . . . . . Fe
[1]2nz5.a 22615 . . . . . . 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 Me
H
8
8
F
8
9
K
9
0
R
9
2
K
1
9
5
Y
1
9
9
[1]2dkk.a . . . . . . Fe
[1]2nz5.a . . . . . . 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
2dkk.a is apo
2nz5.a:226
[1] 2dkk.a
-
0.7
[1] 2nz5.a -
0.2
[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
2dkk.a
2nz5.a
[1] 2dkk.a
0
.12
[1] 2nz5.a .12
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.5 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
2dkk.a
2nz5.a
[1] 2dkk.a
0
0.9
[1] 2nz5.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
2dkk.a
2nz5.a
[1] 2dkk.a
0
1.1
[1] 2nz5.a 1.1
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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