MolNFT v1 · #27076 · protein

Estriol-bound and ligand-free structures of sterol 14ALPHA-demethylase (CYP51)

1X8V · Cytochrome P450 51: “Estriol-bound and ligand-free structures of sterol 14ALPHA-demethylase (CYP51)”. X-ray diffraction, 2 ligands (ESL, HEM), 5 pockets (best druggability 0.83). MolNFT v1 #27076 on GenesisL1: 3D structure, binding…

PDB: 1X8V
Type: protein
Length: 429 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: P0A512
Ligands: ESL, HEM
Pockets: 5 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 54% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P450 51 (EC 1.14.13.70)	protein	429	54% helix, 13% strand	P0A512

Ligands and binding sites

ESL · Estriol · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	616	0.83	0.87	65	HEM, ESL
2	78	0.38	0.78	21	empty
3	51	0.33	0.78	12	empty
4	62	0.33	0.76	19	empty
5	80	0.30	0.73	21	empty

Compared structures

1X8V · Estriol-bound and ligand-free structures of sterol 14alpha-demethylase (CYP51) · 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 P0A512
Elsewhere: RCSB PDB 1X8V · PDBe 1X8V · UniProt P0A512

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