Structure of PDB 2dtr Chain A Binding Site BS02

Receptor Information
>2dtr Chain A (length=214) Species: 1717 (Corynebacterium diphtheriae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVDTTEMYLRTIYELEEEGVTPLRARIAERLEQSGPTVSQTVARMERDGL
VVVASDRSLQMTPTGRTLATAVMRKHRLAERLLTDIIGLDINKVHDEACR
WEHVMSDEVERRLVKVLKDVSRSPFGNPIPGLDELGVPGTRVIDAATSMP
RKVRIVQINEIFQVETDQFTQLLDADIRVGSEVEIVDRHITLSHNGKDVE
LLDDLAHTIRIEEL
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain2dtr Chain A Residue 291 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2dtr High-resolution structure of the diphtheria toxin repressor complexed with cobalt and manganese reveals an SH3-like third domain and suggests a possible role of phosphate as co-corepressor.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H79 E83 H98
Binding residue
(residue number reindexed from 1)		H76 E80 H95
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0017124 SH3 domain binding
GO:0042802 identical protein binding
GO:0046914 transition metal ion binding
GO:0046983 protein dimerization activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0045892 negative 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:2dtr, PDBe:2dtr, PDBj:2dtr
PDBsum2dtr
PubMed8823163
UniProtP0DJL7|DTXR_CORDI Diphtheria toxin repressor (Gene Name=dtxR)

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