Structure of PDB 2bu3 Chain B Binding Site BS02

Receptor Information
>2bu3 Chain B (length=204) Species: 1167 (Anabaena sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLIGFNSNEGEKLLLTSRSREDFFPLSMQFVTQVNQAYCGVASIIMVLNS
LGINAPYSPYRVFTQDNFFSNEKTKAVIAPEVVARQGMTLDELGRLIASY
GVKVKVNHASDTNIEDFRKQVAENLKQDGNFVIVNYLRKEIGQERGGHIS
PLAAYNEQTDRFLIMDVSRYKYPPVWVKTTDLWKAMNTVDSVSQKTRGFV
FVSK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2bu3 Chain B Residue 1242 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bu3 A Papain-Like Enzyme at Work: Native and Acyl- Enzyme Intermediate Structures in Phytochelatin Synthesis.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		D53 N159 Q162 N165
Binding residue
(residue number reindexed from 1)		D22 N124 Q127 N130
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.15: glutathione gamma-glutamylcysteinyltransferase.
Gene Ontology
Molecular Function
GO:0016756 glutathione gamma-glutamylcysteinyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0010038 response to metal ion
GO:0046938 phytochelatin biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2bu3, PDBe:2bu3, PDBj:2bu3
PDBsum2bu3
PubMed16339904
UniProtQ8YY76

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