Structure of PDB 1v2a Chain D Binding Site BS01
Receptor Information
>1v2a Chain D (length=208) Species:
7168
(Anopheles dirus) [
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MDYYYSLISPPCQSAILLAKKLGITLNLKKTNVHDPVERDALTKLNPQHT
IPTLVDNGHVVWESYAIVLYLVETYAKDDTLYPKDPKVRSVVNQRLFFDI
GTLYKRIIDVIHLVMKKEQPSDEQMEKLKGALDLLEQFVTERAYAAADHL
TVADICLLGTVTALNWLKHDLEPFPHIRAWLERVRAEMPDYEEFSKQVAD
DTLAYVAS
Ligand information
Ligand ID
GTS
InChI
InChI=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
InChIKey
QGWRMTHFAZVWAM-WDSKDSINSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(CC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N
CACTVS 3.341
N[CH](CCC(=O)N[CH](C[S](O)(=O)=O)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0
C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.341
N[C@@H](CCC(=O)N[C@@H](C[S](O)(=O)=O)C(=O)NCC(O)=O)C(O)=O
ACDLabs 10.04
O=C(NC(C(=O)NCC(=O)O)CS(=O)(=O)O)CCC(C(=O)O)N
Formula
C10 H17 N3 O9 S
Name
GLUTATHIONE SULFONIC ACID
ChEMBL
DrugBank
DB03003
ZINC
ZINC000001616624
PDB chain
1v2a Chain D Residue 4001 [
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Receptor-Ligand Complex Structure
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PDB
1v2a
Identification, characterization and structure of a new Delta class glutathione transferase isoenzyme.
Resolution
2.15 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 score
2
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
PDBsum
1v2a
PubMed
15717864
UniProt
Q9BHB0
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