Structure of PDB 2bu3 Chain A Binding Site BS02

Receptor Information
>2bu3 Chain A (length=200) Species: 1167 (Anabaena sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSPNLIGFNSNEGEKLLLTSRSREDFFPLSMQFVTQVNQAYCGVASIIMV
LNSLGINAYRVFTQDNFFSTKAVIAPEVVARQGMTLDELGRLIASYGVKV
KVNHASDTNIEDFRKQVAENLKQDGNFVIVNYLRKEIGQERGGHISPLAA
YNEQTDRFLIMDVSRYKYPPVWVKTTDLWKAMNTVDSVSQKTRGFVFVSK
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 A 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 F166
Binding residue
(residue number reindexed from 1)		D25 N120 Q123 N126 F127
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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