MolNFT v1 · #144171 · protein

Mycobacterium marinum cytochrome P450 CYP268A2 in complex with pseudoionone

6BLD · Cytochrome P450 268A2 CYP268A2: “Mycobacterium marinum cytochrome P450 CYP268A2 in complex with pseudoionone”. X-ray diffraction, 2 ligands (HEM, DXJ), 3 pockets (best druggability 0.87). MolNFT v1 #144171 on GenesisL1: 3D…

PDB: 6BLD
Type: protein
Length: 414 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450 268A2 CYP268A2
UniProt: B2HMF7
Ligands: HEM, DXJ
Pockets: 3 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450 268A2 CYP268A2	protein	414	53% helix, 10% strand	B2HMF7

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
DXJ · (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one · ligand · chains A

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

Pockets

3 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	397	0.87	0.95	64	HEM, DXJ
2	147	0.57	0.82	25	empty
3	76	0.33	0.75	24	empty

Compared structures

6BLD · Mycobacterium marinum cytochrome P450 CYP268A2 in complex with pseudoio · 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 B2HMF7
Elsewhere: RCSB PDB 6BLD · PDBe 6BLD · UniProt B2HMF7

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