Structure of PDB 1f5t Chain D Binding Site BS03

Receptor Information
>1f5t Chain D (length=120) Species: 1717 (Corynebacterium diphtheriae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDLVDTTEMYLRTIYELEEEGVTPLRARIAERLEQSGPTVSQTVARMERD
GLVVVASDRSLQMTPTGRTLATAVMRKHRLAERLLTDIIGLDINKVHDEA
DRWEHVMSDEVERRLVKVLK
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain1f5t Chain D Residue 257 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1f5t Methyl groups of thymine bases are important for nucleic acid recognition by DtxR.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		M4010 D4102 E4105 H4106
Binding residue
(residue number reindexed from 1)		M9 D101 E104 H105
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0046914 transition metal ion binding
GO:0046983 protein dimerization activity
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:1f5t, PDBe:1f5t, PDBj:1f5t
PDBsum1f5t
PubMed10956029
UniProtP0DJL7|DTXR_CORDI Diphtheria toxin repressor (Gene Name=dtxR)

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