Structure of PDB 1oyj Chain C Binding Site BS03
Receptor Information
>1oyj Chain C (length=227) Species:
4530
(Oryza sativa) [
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EEKELVLLDFWVSPFGQRCRIAMAEKGLEFEYREEDLGNKSDLLLRSNPV
HRKIPVLLHAGRPVSESLVILQYLDDAFPGTPHLLPPANSGDADAAYARA
TARFWADYVDRKLYDCGSRLWRLKGEPQAAAGREMAEILRTLEAELGDRE
FFGGGGGGRLGFVDVALVPFTAWFYSYERCGGFSVEEVAPRLAAWARRCG
RIDSVVKHLPSPEKVYDFVGVLKKKYG
Ligand information
Ligand ID
GSH
InChI
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKey
RWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
Software
SMILES
ACDLabs 12.01
O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370
N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6
C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
Formula
C10 H17 N3 O6 S
Name
GLUTATHIONE
ChEMBL
CHEMBL1543
DrugBank
DB00143
ZINC
ZINC000003830891
PDB chain
1oyj Chain C Residue 804 [
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Receptor-Ligand Complex Structure
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PDB
1oyj
Forced evolution of a herbicide detoxifying glutathione transferase.
Resolution
1.95 Å
Binding residue
(original residue number in PDB)
Q130 C182 G184
Binding residue
(residue number reindexed from 1)
Q128 C180 G182
Annotation score
4
Enzymatic activity
Enzyme Commision number
2.5.1.18
: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364
glutathione transferase activity
GO:0016740
transferase activity
Biological Process
GO:0006749
glutathione metabolic process
Cellular Component
GO:0005737
cytoplasm
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1oyj
,
PDBe:1oyj
,
PDBj:1oyj
PDBsum
1oyj
PubMed
12692133
UniProt
Q10CE7
|GSTU1_ORYSJ Probable glutathione S-transferase GSTU1 (Gene Name=GSTU1)
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