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Crystal structure of wt-CYP199A4 in complex with 4-phenylbenzoic acid

Analyse Crystal structure of wt-CYP199A4 in complex with 4-phenylbenzoic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7JW5
Type: protein
Length: 393 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450
EC: 1.-.-.-
UniProt: Q2IU02
Ligands: Z7Z, HEM, CL
Pockets: 2 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450 (EC 1.-.-.-)	protein	393	49% helix, 13% strand	Q2IU02

Ligands and binding sites

Z7Z · biphenyl-4-carboxylic acid · ligand · chains A
HEM · Protoporphyrin IX containing Fe · ligand · chains A
CL · Chloride ion · ion · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	371	0.86	0.94	47	Z7Z, HEM
2	137	0.43	0.76	23	empty

Compared structures

7JW5 · Crystal structure of WT-CYP199A4 in complex with 4-phenylbenzoic acid · 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 Q2IU02
Elsewhere: RCSB PDB 7JW5 · PDBe 7JW5 · UniProt Q2IU02

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