Structure of PDB 1r22 Chain A Binding Site BS01

Receptor Information
>1r22 Chain A (length=93) Species: 1140 (Synechococcus elongatus PCC 7942 = FACHB-805) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQAIAPEVAQSLAEFFAVLADPNRLRLLSLLARSELSVGDLAQAIGVSES
AVSHQLRSLRNLRLVSYRHVYYQLQDHHIVALYQNALDHLQES
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 chain1r22 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1r22 A metal-ligand-mediated intersubunit allosteric switch in related SmtB/ArsR zinc sensor proteins.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H117 E120
Binding residue
(residue number reindexed from 1)		H89 E92
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0046872 metal ion binding
Biological Process
GO:0006355 regulation of DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:1r22, PDBe:1r22, PDBj:1r22
PDBsum1r22
PubMed14568530
UniProtP30340|SMTB_SYNE7 Transcriptional repressor SmtB (Gene Name=smtB)

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