Research workbench

Cytochrome P450 crej in complex with (4-ethylphenyl) dihydrogen phosphate

Analyse Cytochrome P450 crej in complex with (4-ethylphenyl) dihydrogen phosphate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5XJN
Type: protein
Length: 403 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450
UniProt: Q8NSW2
Ligands: 88L, HEM
Pockets: 5 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450	protein	403	53% helix, 9% strand	Q8NSW2

Ligands and binding sites

88L · (4-ethylphenyl) dihydrogen phosphate · ligand · chains A
HEM · Protoporphyrin IX containing Fe · ligand · chains A

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	326	0.85	0.94	46	88L, HEM
2	120	0.54	0.82	24	empty
3	91	0.39	0.77	19	empty
4	63	0.32	0.76	14	empty
5	60	0.29	0.74	12	empty

Compared structures

5XJN · cytochrome P450 CREJ in complex with (4-ethylphenyl) dihydrogen phosphate · the same entry in another collection · chain A against A, TM-score 1.00

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 Q8NSW2
Elsewhere: RCSB PDB 5XJN · PDBe 5XJN · UniProt Q8NSW2

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