› 2y05

X-ray diffraction
2.2Å resolution

Crystal structure of human leukotriene B4 12-hydroxydehydrogenase in complex with NADP and raloxifene

Released:
DOI: 10.2210/pdb2y05/pdb
PDB entry 2y05 coloured by chain, front view.
PDB entry 2y05 coloured by chain, side view.
PDB entry 2y05 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Yue WW, Shafqat N, Krojer T, Pike ACW, von Delft F, Sethi R, Savitsky P, Johansson C, Arrowsmith C, Weigelt J, Edwards A, Bountra C, Oppermann U

Function and Biology Details

Reactions 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
A n-alkanal + NAD(P)(+) = an alk-2-enal + 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-172120 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Prostaglandin reductase 1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 328 amino acids
Theoretical weight: 35.76 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q14914 (Residues: 4-329; Coverage: 99%)
Gene names: LTB4DH, PTGR1
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAP 4 x NAP
3 bound ligands:
Ligand RAL 2 x RAL
Ligand CL 5 x CL
Ligand EDO 9 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 93.274Å b: 116.599Å c: 154.607Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.194 0.231
Expression system: Escherichia coli BL21(DE3)

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