› 2wek

X-ray diffraction
1.9Å resolution

Crystal structure of the human MGC45594 gene product in complex with diclofenac

Released:
DOI: 10.2210/pdb2wek/pdb
PDB entry 2wek coloured by chain, front view.
PDB entry 2wek coloured by chain, side view.
PDB entry 2wek coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Shafqat N, Yue WW, Ugochukwu E, Niesen F, Smee C, 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-185392 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Prostaglandin reductase 3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 341 amino acids
Theoretical weight: 36.25 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8N4Q0 (Residues: 33-371; Coverage: 90%)
Gene names: PTGR3, ZADH2
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAP 2 x NAP
4 bound ligands:
Ligand DIF 8 x DIF
Ligand PO4 2 x PO4
Ligand CL 3 x CL
Ligand GOL 5 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P1
Unit cell:
a: 46.834Å b: 51.572Å c: 75.716Å
α: 94.61° β: 91.54° γ: 101.72°
R-values:
R R work R free
0.168 0.165 0.214
Expression system: Escherichia coli BL21(DE3)

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