Structure of PDB 4if4 Chain C Binding Site BS01

Receptor Information
>4if4 Chain C (length=208) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIKVLFVDDHEMVRIGISSYLSTQSDIEVVGEGASGKEAIAKAHELKPDL
ILMDLLMEDMDGVEATTQIKKDLPQIKVLMLTSFIEDKEVYRALDAGVDS
YILKTTSAKDIADAVRKTSRGESVFEPEVLVKMRNRMKKRAELYEMLTER
EMEILLLIAKGYSNQEIASASHITIKTVKTHVSNILSKLEVQDRTQAVIY
AFQHNLIQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4if4 Chain C Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4if4 Phosphorylation-dependent conformational changes and domain rearrangements in Staphylococcus aureus VraR activation.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		D10 D55 L57
Binding residue
(residue number reindexed from 1)		D9 D54 L56
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0000160 phosphorelay signal transduction system
GO:0006355 regulation of DNA-templated transcription
GO:0046677 response to antibiotic
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:4if4, PDBe:4if4, PDBj:4if4
PDBsum4if4
PubMed23650349
UniProtQ7A2Q1|VRAR_STAAM Response regulator protein VraR (Gene Name=vraR)

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