Structure of PDB 4l5l Chain B Binding Site BS02

Receptor Information
>4l5l Chain B (length=217) Species: 79923 (Clonorchis sinensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAPVLGYWKIRGLAQPIRLLLEYVGDSYEEHSYGRCDGEKWQNDKHNLGL
ELPNLPYYKDGNFSLTQSLAILRYIADKHNMIGNTPVERAKISMIEGGLV
DLRAGVSRIAYQETFEQLKVPYLQQLPSTLRMWSQFLGNNSYLHGSTPTH
LDFMFYEALDVIRYLDPTSVEAFPNLMQFIHRIEALPNIKAFMESDRFIK
WPLNGWSAYFGGGDAPP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4l5l Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4l5l Crystal structures of 26kDa Clonorchis sinensis glutathione S-transferase reveal zinc binding and putative metal binding.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D26 H79
Binding residue
(residue number reindexed from 1)		D26 H79
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y7 L13
Catalytic site (residue number reindexed from 1) Y7 L13
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:4l5l, PDBe:4l5l, PDBj:4l5l
PDBsum4l5l
PubMed23916611
UniProtQ25595

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