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Cytochrome P450BSBETA cocrystallized with heptanoic acid

Analyse Cytochrome P450BSBETA cocrystallized with heptanoic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2ZQX
Type: protein
Length: 1,233 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450 152A1
EC: 1.14.-.-
UniProt: O31440
Ligands: HEM
Pockets: 13 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Cytochrome P450 152A1 (EC 1.14.-.-)	protein	411	53% helix, 12% strand	O31440

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 3 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	703	0.87	0.91	62	HEM
2	746	0.87	0.90	69	HEM
3	770	0.86	0.89	61	HEM
4	259	0.52	0.75	32	empty
5	57	0.49	0.86	16	empty

Interfaces

2 interfaces between chains.

A–B · 68 Å² buried · 0 hydrogen bonds · protein-protein
A–C · 11 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

2ZQX · Cytochrome P450BSbeta cocrystallized with heptanoic acid · the same entry in another collection · chain A against A, TM-score 1.00
O31440 · AlphaFold monomer V2.0 prediction for fatty-acid peroxygenase (O31440) · a predicted model of the same protein · chain B against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt O31440
Elsewhere: RCSB PDB 2ZQX · PDBe 2ZQX · UniProt O31440

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