Structure of PDB 6tjl Chain B Binding Site BS01

Receptor Information
>6tjl Chain B (length=217) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTLTLSPNLIGFNSNEGEKLLLTSRSREDFFPLSMQFVTQVNQAYSGVAS
IIMVLNSLGINAPETAQYSPYRVFTQDNFFSNEKTKAVIAPEVVARQGMT
LDELGRLIASYGVKVKVNHASDTNIEDFRKQVAENLKQDGNFVIVNYLRK
EIGQERGGHISPLAAYNEQTDRFLIMDVSRYKYPPVWVKTTDLWKAMNTV
DSVSQKTRGFVFVSKTQ
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 chain6tjl Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6tjl Mature primitive pytochelatin synthase Alr0975 from Nostoc species bound to glutathione
Resolution1.87 Å
Binding residue
(original residue number in PDB)		E52 D163
Binding residue
(residue number reindexed from 1)		E28 D139
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.15: glutathione gamma-glutamylcysteinyltransferase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
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:6tjl, PDBe:6tjl, PDBj:6tjl
PDBsum6tjl
PubMed
UniProtQ8YY76

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