Structure of PDB 2jsc Chain B Binding Site BS01

Receptor Information
>2jsc Chain B (length=97) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALARLGRALADPTRCRILVALLDGVCYPGQLAAHLGLTRSNVSNHLSCLR
GCGLVVATYEGRQVRYALADSHLARALGELVQVVLAVDTDQPCVAER
Ligand information
Ligand IDCD
InChIInChI=1S/Cd/q+2
InChIKeyWLZRMCYVCSSEQC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Cd++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cd+2]
FormulaCd
NameCADMIUM ION
ChEMBL
DrugBank
ZINC
PDB chain2jsc Chain B Residue 107 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2jsc NMR Structural Analysis of Cadmium Sensing by Winged Helix Repressor CmtR.
ResolutionN/A
Binding residue
(original residue number in PDB)		C57 C61
Binding residue
(residue number reindexed from 1)		C48 C52
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0005515 protein binding
GO:0032791 lead ion binding
GO:0046870 cadmium ion binding
GO:0046872 metal ion binding
GO:0097063 cadmium ion sensor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0010288 response to lead ion
GO:0010468 regulation of gene expression
GO:0046686 response to cadmium ion

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Molecular Function
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Biological Process
External links
PDB RCSB:2jsc, PDBe:2jsc, PDBj:2jsc
PDBsum2jsc
PubMed17599915
UniProtP9WMI9|CMTR_MYCTU HTH-type transcriptional regulator CmtR (Gene Name=cmtR)

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