MolNFT v1 · #156707 · protein

Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from methylococcus capsulatus, complex with the detergent anapoe-X-114

6MCW · Cytochrome P450 51: “Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from methylococcus capsulatus…”. X-ray diffraction, 2 ligands (JDJ, HEM), 4 pockets (best druggability 0.84). MolNFT v1 #156707 on…

PDB: 6MCW
Type: protein
Length: 446 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450 51
EC: 1.14.13.70
UniProt: Q603T8
Ligands: JDJ, HEM
Pockets: 4 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450 51 (EC 1.14.13.70)	protein	446	52% helix, 11% strand	Q603T8

Ligands and binding sites

JDJ · 23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15, 18,21-heptaoxatricosan-1-ol · 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

4 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	1055	0.84	0.85	83	JDJ, HEM
2	123	0.42	0.76	21	empty
3	113	0.42	0.76	17	empty
4	53	0.26	0.74	14	empty

Compared structures

6MCW · Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from… · 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 Q603T8
Elsewhere: RCSB PDB 6MCW · PDBe 6MCW · UniProt Q603T8

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