› 4bpm

X-ray diffraction
2.08Å resolution

Crystal structure of a human integral membrane enzyme

Released:
DOI: 10.2210/pdb4bpm/pdb
PDB entry 4bpm coloured by chain, front view.
PDB entry 4bpm coloured by chain, side view.
PDB entry 4bpm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystallizing Membrane Proteins in the Lipidic Mesophase. Experience with Human Prostaglandin E2 Synthase 1 and an Evolving Strategy.
Li D, Howe N, Dukkipati A, Shah ST, Bax BD, Edge C, Bridges A, Hardwicke P, Singh OM, Giblin G, Pautsch A, Pfau R, Schnapp G, Wang M, Olieric V, Caffrey M
Cryst Growth Des 14 2034-2047 (2014)
PMID: 24803849

Function and Biology Details

Reactions catalysed: 
RX + glutathione = HX + R-S-glutathione
Leukotriene C(4) = leukotriene A(4) + glutathione
(5Z,13E)-(15S)-9-alpha,11-alpha-epidioxy-15-hydroxyprosta-5,13-dienoate = (5Z,13E)-(15S)-11-alpha,15-dihydroxy-9-oxoprosta-5,13-dienoate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127053 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Leukotriene C4 synthase; Prostaglandin E synthase Chain: A
Molecule details ›
Chain: A
Length: 178 amino acids
Theoretical weight: 20.36 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O14684 (Residues: 10-151; Coverage: 93%)
  • Canonical: Q16873 (Residues: 130-150; Coverage: 14%)
Gene names: LTC4S, MGST1L1, MPGES1, PGES, PIG12, PTGES
Sequence domains: MAPEG family
Structure domains: Membrane associated eicosanoid/glutathione metabolism-like domain

Ligands and Environments


Cofactor: Ligand GSH 1 x GSH
1 bound ligand:
Ligand LVJ 1 x LVJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: R32
Unit cell:
a: 86.4Å b: 86.4Å c: 181.12Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.201 0.2 0.218
Expression system: Spodoptera frugiperda

Quick links

Citations

2 review citations

Perspective of microsomal prostaglandin E2 synthase-1 as drug target in inflammation-related disorders.
Koeberle et al. (2015)
1 more

13 mentions without citation

A comprehensive review of the lipid cubic phase or in meso method for crystallizing membrane and soluble proteins and complexes.
Caffrey M. (2015)
12 more