MolNFT v1 · #108000 · protein

Xena - reduced - Y183F variant in complex with coumarin

4UTL · Xenobiotic reductase: “Xena - reduced - Y183F variant in complex with coumarin”. X-ray diffraction, 3 ligands (COU, FNR, SO4), 2 pockets (best druggability 0.65). MolNFT v1 #108000 on GenesisL1: 3D structure, binding sites and…

PDB: 4UTL
Type: protein
Length: 359 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Xenobiotic reductase
EC: 1.6.99.1
UniProt: Q3ZDM6
Ligands: COU, FNR, SO4
Pockets: 2 · best druggability 0.65

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Xenobiotic reductase (EC 1.6.99.1)	protein	359	40% helix, 16% strand	Q3ZDM6

Ligands and binding sites

COU · Coumarin · ligand · 4 copies · chains A
FNR · 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[g]pteridin-1-id-10(5H)-yl)-5-O-phosphonato-D-ribitol · ligand · chains A
SO4 · Sulfate ion · ion · 3 copies · chains A

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

Pockets

2 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	436	0.65	0.77	42	FNR, COU
2	51	0.49	0.87	16	empty

Compared structures

4UTL · XenA - reduced - Y183F variant in complex with coumarin · 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 Q3ZDM6
Elsewhere: RCSB PDB 4UTL · PDBe 4UTL · UniProt Q3ZDM6

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