Structure of PDB 1v2a Chain D Binding Site BS01

Receptor Information
>1v2a Chain D (length=208) Species: 7168 (Anopheles dirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDYYYSLISPPCQSAILLAKKLGITLNLKKTNVHDPVERDALTKLNPQHT
IPTLVDNGHVVWESYAIVLYLVETYAKDDTLYPKDPKVRSVVNQRLFFDI
GTLYKRIIDVIHLVMKKEQPSDEQMEKLKGALDLLEQFVTERAYAAADHL
TVADICLLGTVTALNWLKHDLEPFPHIRAWLERVRAEMPDYEEFSKQVAD
DTLAYVAS
Ligand information
Ligand IDGTS
InChIInChI=1S/C10H17N3O9S/c11-5(10(18)19)1-2-7(14)13-6(4-23(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1
InChIKeyQGWRMTHFAZVWAM-WDSKDSINSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N
CACTVS 3.341N[CH](CCC(=O)N[CH](C[S](O)(=O)=O)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CCC(=O)N[C@@H](C[S](O)(=O)=O)C(=O)NCC(O)=O)C(O)=O
ACDLabs 10.04O=C(NC(C(=O)NCC(=O)O)CS(=O)(=O)O)CCC(C(=O)O)N
FormulaC10 H17 N3 O9 S
NameGLUTATHIONE SULFONIC ACID
ChEMBL
DrugBankDB03003
ZINCZINC000001616624
PDB chain1v2a Chain D Residue 4001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1v2a Identification, characterization and structure of a new Delta class glutathione transferase isoenzyme.
Resolution2.15 Å
Binding residue
(original residue number in PDB)
S9 P11 H49 T50 I51 E63 S64
Binding residue
(residue number reindexed from 1)
S9 P11 H49 T50 I51 E63 S64
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) S9
Catalytic site (residue number reindexed from 1) S9
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004364 glutathione transferase activity
GO:0016740 transferase activity
Biological Process
GO:0006749 glutathione metabolic process

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:1v2a, PDBe:1v2a, PDBj:1v2a
PDBsum1v2a
PubMed15717864
UniProtQ9BHB0

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