Structure of PDB 1bi3 Chain A Binding Site BS01

Receptor Information
>1bi3 Chain A (length=212) Species: 1717 (Corynebacterium diphtheriae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVDTTEMYLRTIYELEEEGVTPLRARIAERLEQSGPTVSQTVARMERDGL
VVVASDRSLQMTPTGRTLATAVMRKHRLAERLLTDIIGLDINKVHDEACR
WEHVMSDEVERRLVKVLKDVSRSPFGNPIPGLDELGVPGTRVIDAATSMP
RKVRIVQINEIFQVETDQFTQLLDADIRVGSEVEIVDHITLSHNGKDVEL
LDDLAHTIRIEE
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 chain1bi3 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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PDB1bi3 Motion of the DNA-binding domain with respect to the core of the diphtheria toxin repressor (DtxR) revealed in the crystal structures of apo- and holo-DtxR.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H79 E83 H98
Binding residue
(residue number reindexed from 1)		H76 E80 H95
Annotation score4
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:1bi3, PDBe:1bi3, PDBj:1bi3
PDBsum1bi3
PubMed9712865
UniProtP0DJL7|DTXR_CORDI Diphtheria toxin repressor (Gene Name=dtxR)

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