Structure of PDB 6zjc Chain D Binding Site BS03
Receptor Information
>6zjc Chain D (length=220) Species:
9796
(Equus caballus) [
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VKPMLHYFNGRGRMEPIRWLLAAAGVEFEETFIDTPEDFEKLKNDGSLMF
QQVPMVEIDGMKLVQSRAILNYVAAKHNLYGKDIKERALIDMYIEGVADL
NEMILLLPITPPAEKDAKIMLIKDRTTNRYLPAFEKVLKSHGEDYLVGNR
LSRADIHLVELLYLVEELDPSLLTNFPLLKALKARISNLPTVKKFLQPGG
ARKPPGDEKSVEKSRKIFKF
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
6zjc Chain C Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
6zjc
Structural and functional analysis of the inhibition of equine glutathione transferase A3-3 by organotin endocrine disrupting pollutants.
Resolution
2.2 Å
Binding residue
(original residue number in PDB)
D101 R131
Binding residue
(residue number reindexed from 1)
D99 R129
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
View graph for
Molecular Function
External links
PDB
RCSB:6zjc
,
PDBe:6zjc
,
PDBj:6zjc
PDBsum
6zjc
PubMed
33162212
UniProt
M9ZT87
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