› 2w98

X-ray diffraction
1.85Å resolution

CRYSTAL STRUCTURE OF HUMAN ZINC-BINDING ALCOHOL DEHYDROGENASE 1 (ZADH1) IN TERNARY COMPLEX WITH NADP AND PHENYLBUTAZONE

Released:
DOI: 10.2210/pdb2w98/pdb
PDB entry 2w98 coloured by chain, front view.
PDB entry 2w98 coloured by chain, side view.
PDB entry 2w98 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Shafqat N, Yue WW, Muniz J, Picaud S, Niesen F, Arrowsmith C, Weigelt J, Edwards A, Bountra C, Oppermann U

Function and Biology Details

Reaction catalysed: 
11-alpha-hydroxy-9,15-dioxoprost-5-enoate + NAD(P)(+) = (5Z)-(13E)-11-alpha-hydroxy-9,15-dioxoprosta-5,13-dienoate + NAD(P)H
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-185435 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Prostaglandin reductase 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 357 amino acids
Theoretical weight: 39.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8N8N7 (Residues: 1-349; Coverage: 99%)
Gene names: PTGR2, ZADH1
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAP 2 x NAP
5 bound ligands:
Ligand P1Z 7 x P1Z
Ligand PO4 5 x PO4
Ligand LMR 1 x LMR
Ligand CL 1 x CL
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: C2
Unit cell:
a: 141.014Å b: 82.793Å c: 69.097Å
α: 90° β: 99.77° γ: 90°
R-values:
R R work R free
0.159 0.158 0.188
Expression system: Escherichia coli BL21(DE3)

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