Brand  (β version)

PDB ID: 5BQG

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
4UJ 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide PoSSuM
GSH Glutathione PoSSuM
PEG Di(hydroxyethyl)ether PoSSuM
PGE Triethylene glycol PoSSuM
BOG Octyl beta-D-glucopyranoside PoSSuM
JZR Hexyl beta-D-glucopyranoside PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 5BQG   PDBj   RCSB PDB   PDBe
Header : Isomerase/Isomerase inhibitor
Title : Crystal Structure of mPGES-1 Bound to an Inhibitor
Release Data : 2016-04-13
Compound :
mol_id molecule chains synonym
1 Prostaglandin E synthase A Microsomal glutathione S-transferase 1-like 1,MGST1-L1,Microsomal prostaglandin E synthase 1,MPGES-1,p53-induced gene 12 protein
ec: 5.3.99.3
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: PTGES, MGST1L1, MPGES1, PGES, PIG12
Authors : Fisher, M.J., Schiffler, M.A., Kuklish, S.L., Antonysamy, S., Luz, J.G.
Keywords : mPGES-1, enzyme, integral membrane protein, Isomerase-Isomerase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.436 Å )
Citation :

Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.

Schiffler, M.A.,Antonysamy, S.,Bhattachar, S.N.  et al.
(2016)  J.Med.Chem.  59 : 194 - 205

PubMed: 26653180
DOI: 10.1021/acs.jmedchem.5b01249

Reaction

Chain : A
UniProt : O14684 (PTGES_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
prostaglandin H2 = prostaglandin E2 5.3.99.3 PubMed:10377395, PubMed:10869354, PubMed:12244105, PubMed:12460774, PubMed:12672824, PubMed:16439136, PubMed:18682561, PubMed:26755582, PubMed:27684486
left-to-right PubMed:10377395, PubMed:12460774, PubMed:12672824, PubMed:16439136
2-glyceryl-prostaglandin H2 = 2-glyceryl-prostaglandin E2 - PubMed:12244105
left-to-right
prostaglandin G2 = (15S)-15-hydroperoxy-prostaglandin E2 - PubMed:12672824
left-to-right
1-chloro-2,4-dinitrobenzene + glutathione = 2,4-dinitrophenyl- S-glutathione + chloride + H(+) 2.5.1.18 PubMed:12672824, PubMed:27684486
left-to-right PubMed:27684486
(5S)-hydroperoxy-(6E,8Z,11Z,14Z)-eicosatetraenoate + 2 glutathione = (5S)-hydroxy-(6E,8Z,11Z,14Z)-eicosatetraenoate + glutathione disulfide + H2O - PubMed:12244105
-