Brand  (β version)

PDB ID: 5TL9

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
7DN 2-{2-[(1s,2s)-2-{[1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}cyclopentyl]ethyl}benzoic acid PoSSuM
GSH Glutathione PoSSuM
PEG Di(hydroxyethyl)ether PoSSuM
PG4 Tetraethylene glycol PoSSuM
BOG Octyl beta-D-glucopyranoside PoSSuM
JZR Hexyl beta-D-glucopyranoside PoSSuM
Non-standard Residues
Code Name Show
CSO S-hydroxycysteine
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 5TL9   PDBj   RCSB PDB   PDBe
Header : Membrane Protein, Transferase
Title : crystal structure of mPGES-1 bound to inhibitor
Release Data : 2017-03-01
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 : Luz, J.G., Antonysamy, S., Partridge, K., Fisher, M.
Keywords : prostaglandin, enzyme, integral membrane protein, alpha helix, mPGES1 - ligand 0, Membrane Protein, Transferase
Exp. method : X-RAY DIFFRACTION ( 1.20 Å )
Citation :

Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1.

Partridge, K.M.,Antonysamy, S.,Bhattachar, S.N.  et al.
(2017)  Bioorg. Med. Chem. Lett.  27 : 1478 - 1483

PubMed: 28190634
DOI: 10.1016/j.bmcl.2016.11.011

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
-