MolNFT v1 · #38774 · protein

Xenobiotic reductase a in complex with 8-hydroxycoumarin

2H8Z: “Xenobiotic reductase a in complex with 8-hydroxycoumarin”. X-ray diffraction, 3 ligands (8CM, FMN, SO4), 1 pocket (best druggability 0.70). MolNFT v1 #38774 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2H8Z
Type: protein
Length: 359 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Xenobiotic reductase a
UniProt: Q88NF7
Ligands: 8CM, FMN, SO4
Pockets: 1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Xenobiotic reductase a	protein	359	40% helix, 16% strand	Q88NF7

Ligands and binding sites

8CM · 8-hydroxycoumarin · ligand · 3 copies · chains A
FMN · Flavin mononucleotide · ligand · chains A
SO4 · Sulfate ion · ion · 10 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	514	0.70	0.79	45	SO4, FMN, 8CM

Compared structures

2H8Z · Xenobiotic Reductase A in complex with 8-Hydroxycoumarin · 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 Q88NF7
Elsewhere: RCSB PDB 2H8Z · PDBe 2H8Z · UniProt Q88NF7

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