Brand  (β version)

PDB ID: 6MHD

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Ligands
Code Name Style Show Link
ACN Acetone PoSSuM
JRD N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide PoSSuM
MES 2-(N-morpholino)-ethanesulfonic acid PoSSuM
Non-standard Residues
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Structure summary

Code : 6MHD   PDBj   RCSB PDB   PDBe
Header : Transferase/Transferase Inhibitor
Title : Glutathione S-Transferase Omega 1 bound to covalent inhibitor 44
Release Data : 2019-02-20
Compound :
mol_id molecule chains synonym
1 Glutathione S-transferase omega-1 A,B GSTO-1,Glutathione S-transferase omega 1-1,GSTO 1-1,Glutathione-dependent dehydroascorbate reductase,Monomethylarsonic acid reductase,MMA(V) reductase,S-(Phenacyl)glutathione reductase,SPG-R
ec: 2.5.1.18,1.8.5.1,1.20.4.2
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: GSTO1, GSTTLP28
Authors : Petrunak, E.M., Stuckey, J.A.
Keywords : Transferase, Transferase inhibitor, Transferase-Transferase Inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.16 Å )
Citation :

Structure-Based Design of N-(5-Phenylthiazol-2-yl)acrylamides as Novel and Potent Glutathione S-Transferase Omega 1 Inhibitors.

Dai, W.,Samanta, S.,Xue, D.  et al.
(2019)  J. Med. Chem.  62 : 3068 - 3087

PubMed: 30735370
DOI: 10.1021/acs.jmedchem.8b01960

Reaction

Chain : A, B
UniProt : P78417 (GSTO1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
glutathione + RX = a halide anion + an S-substituted glutathione + H(+) 2.5.1.18 PubMed:10783391, PubMed:11511179, PubMed:17226937, PubMed:18028863, PubMed:21106529
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2 glutathione + L-dehydroascorbate = glutathione disulfide + L-ascorbate 1.8.5.1 PubMed:10783391, PubMed:11511179
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2 glutathione + H(+) + methylarsonate = glutathione disulfide + H2O + methylarsonous acid 1.20.4.2 PubMed:11511179
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