› 3qj5

X-ray diffraction
1.9Å resolution

S-nitrosoglutathione reductase (GSNOR) in complex with N6022

Released:
DOI: 10.2210/pdb3qj5/pdb
PDB entry 3qj5 coloured by chain, front view.
PDB entry 3qj5 coloured by chain, side view.
PDB entry 3qj5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of s-nitrosoglutathione reductase inhibitors: potential agents for the treatment of asthma and other inflammatory diseases.
Sun X, Wasley JW, Qiu J, Blonder JP, Stout AM, Green LS, Strong SA, Colagiovanni DB, Richards JP, Mutka SC, Chun L, Rosenthal GJ
ACS Med Chem Lett 2 402-6 (2011)
PMID: 24900320

Function and Biology Details

Reactions catalysed: 
A primary alcohol + NAD(+) = an aldehyde + NADH
S-(hydroxymethyl)glutathione + NAD(P)(+) = S-formylglutathione + NAD(P)H
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145918 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alcohol dehydrogenase class-3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 374 amino acids
Theoretical weight: 39.73 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P11766 (Residues: 2-374; Coverage: 100%)
Gene names: ADH5, ADHX, FDH
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 2 x NAD
6 bound ligands:
Ligand ZN 4 x ZN
Ligand K 2 x K
Ligand 022 2 x 022
Ligand 1PE 3 x 1PE
Ligand N2P 3 x N2P
Ligand TRS 1 x TRS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P43212
Unit cell:
a: 78.858Å b: 78.858Å c: 310.078Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.184 0.21
Expression system: Spodoptera frugiperda

Quick links

Citations

5 review citations

Comprehensive review in current developments of imidazole-based medicinal chemistry.
Zhang et al. (2014)
4 more

3 mentions without citation

Discovery of s-nitrosoglutathione reductase inhibitors: potential agents for the treatment of asthma and other inflammatory diseases.
Sun et al. (2011)
2 more