Structure of PDB 3tgn Chain A Binding Site BS01

Receptor Information
>3tgn Chain A (length=135) Species: 373153 (Streptococcus pneumoniae D39) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRQLAKDINAFLNEVILQAENQHEILIGHCTSEVALTNTQEHILMLLSEE
SLTNSELARRLNVSQAAVTKAIKSLVKEGMLETFYQLTDLARPIAEEHHH
HHEHTLLTYEQVATQFTPNEQKVIQRFLTALVGEI
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 chain3tgn 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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PDB3tgn Crystal Structure of the Zinc-Dependent MarR Family Transcriptional Regulator AdcR in the Zn(II)-Bound State.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E24 H42 H108 H112
Binding residue
(residue number reindexed from 1)		E24 H42 H98 H102
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0008270 zinc ion binding
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:3tgn, PDBe:3tgn, PDBj:3tgn
PDBsum3tgn
PubMed22085181
UniProtQ04I02|ADCR_STRP2 Transcriptional regulator AdcR (Gene Name=adcR)

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