› 2x1h

X-ray diffraction
1.75Å resolution

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

Released:
DOI: 10.2210/pdb2x1h/pdb
PDB entry 2x1h coloured by chain, front view.
PDB entry 2x1h coloured by chain, side view.
PDB entry 2x1h coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Shafqat N, Yue WW, Pike ACW, Niesen F, Ugochukwu E, Krojer T, Chaikuad A, 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: 362 amino acids
Theoretical weight: 38.72 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
2 bound ligands:
Ligand EDO 4 x EDO
Ligand X1H 4 x X1H
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P1
Unit cell:
a: 46.65Å b: 52.04Å c: 75.44Å
α: 94.32° β: 91.44° γ: 102.24°
R-values:
R R work R free
0.21 0.208 0.243
Expression system: Escherichia coli BL21(DE3)

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