2-naphthoyl-CoA reductase-dihydronaphthoyl-CoA COMPLEX(NCR-dhncoa co- crystallized complex)

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 19% strand (DSSP).

Ligands and binding sites

• SF4 · Iron/sulfur cluster · ligand · chains A
• FAD · Flavin-adenine dinucleotide · ligand · chains A
• FMN · Flavin mononucleotide · ligand · chains A
• J5H · ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] naphthalene-2-carbothioate · 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, 3 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 6QKX · 2-Naphthoyl-CoA Reductase-DiHydroNaphthoyl-CoA complex(NCR-DHNCoA co-crystallized complex) · 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 E1YD54
• Elsewhere: RCSB PDB 6QKX · PDBe 6QKX · UniProt E1YD54