Structure of PDB 1r5a Chain A Binding Site BS01

Receptor Information
>1r5a Chain A (length=214) Species: 123217 (Anopheles cracens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTVLYYLPASPPCRSVLLLAKMIGVELDLKVLNIMEGEQLKPDFVELNPQ
HCIPTMDDHGLVLWESRVILSYLVSAYGKDENLYPKDFRSRAIVDQRLHF
DLGTLYQRVVDYYFPTIHLGAHLDQTKKAKLAEALGWFEAMLKQYQWSAA
NHFTIADIALCVTVSQIEAFQFDLHPYPRVRAWLLKCKDELEGHGYKEIN
ETGAETLAGLFRSK
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain1r5a Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1r5a Identification, characterization and structure of a new Delta class glutathione transferase isoenzyme.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T2 H60
Binding residue
(residue number reindexed from 1)		T1 H59
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S11
Catalytic site (residue number reindexed from 1) S10
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006749 glutathione metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1r5a, PDBe:1r5a, PDBj:1r5a
PDBsum1r5a
PubMed15717864
UniProtQ9GQG7

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