Structure of PDB 3hru Chain B Binding Site BS01

Receptor Information
>3hru Chain B (length=201) Species: 1302 (Streptococcus gordonii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDYLKCLYELGTNKITNKEIAQLMQVMMKKLLAEELLIKDKKAGYLLTDL
GLKLVSDLYRKHRLIEVFLVHHLGYTTEEIHEEAEVLEHTVSDHFVERLD
QLLDYPKACPHGGTIPAKGELLVEKHKLTLEEAKEKGDYILARVHDNFDL
LTYLERNGLQVGKTIRFLGYDDFSHLYSLEVDGQEIQLAQPIAQQIYVEK
I
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 chain3hru Chain B Residue 216 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hru Characterization and structure of the manganese-responsive transcriptional regulator ScaR.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		E80 D160
Binding residue
(residue number reindexed from 1)		E66 D146
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
GO:0046914 transition metal ion binding
GO:0046983 protein dimerization activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3hru, PDBe:3hru, PDBj:3hru
PDBsum3hru
PubMed19795834
UniProtQ9RFN3

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