MolNFT v1 · #174977 · protein

Mechanism insights on steroselective oxidation of phosphorylated ethylphenols with cytochrome P450 crej

7CCF: “Mechanism insights on steroselective oxidation of phosphorylated ethylphenols with cytochrome P450 crej”. X-ray diffraction, 2 ligands (FW6, HEM), 5 pockets (best druggability 0.85). MolNFT v1 #174977 on GenesisL1: 3D structure…

PDB: 7CCF
Type: protein
Length: 405 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytochrome P450
UniProt: Q8NSW2
Ligands: FW6, HEM
Pockets: 5 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450	protein	405	51% helix, 10% strand	Q8NSW2

Ligands and binding sites

FW6 · (3-ethylphenyl) dihydrogen phosphate · ligand · 2 copies · 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	316	0.85	0.95	45	HEM, FW6
2	133	0.52	0.81	23	empty
3	90	0.44	0.80	20	empty
4	80	0.35	0.76	19	empty
5	58	0.31	0.76	12	empty

Compared structures

7CCF · Mechanism insights on steroselective oxidation of phosphorylated ethylphenols with… · 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 7CCF · PDBe 7CCF · UniProt Q8NSW2

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.