Structure of PDB 3gfl Chain A Binding Site BS01

Receptor Information
>3gfl Chain A (length=141) Species: 111955 (Sulfurisphaera tokodaii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENRIQIMSTIAKIYRAMSRELNRRLGELNLSYLDFLVLRATSDGPKTMAY
LANRYFVTQSAITASVDKLEEMGLVVRVRDREDRAKILIEITEKGLETFN
KGIEIYKKLANEVTGDLSEDEVILVLDKISKILKRIEEISQ
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 chain3gfl Chain A Residue 147 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gfl ST1710-DNA complex crystal structure reveals the DNA binding mechanism of the MarR family of regulators.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E143 Q146
Binding residue
(residue number reindexed from 1)		E138 Q141
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
GO:0006950 response to stress

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Molecular Function
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Biological Process
External links
PDB RCSB:3gfl, PDBe:3gfl, PDBj:3gfl
PDBsum3gfl
PubMed19509310
UniProtQ96ZY1

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