Structure of PDB 8dx0 Chain B Binding Site BS01

Receptor Information
>8dx0 Chain B (length=139) Species: 1350 (Enterococcus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TETTDLSLMLEQLTFEFLPLLEEKNLNWQLNLQKNVLATVDTEKIARVFD
NLIRNAINYSYPDSPLLLELVESDSIHIRLTNRGKTIPEEMIGRLFEPFY
RMDGLGLPIAKEILLASGGDISAESKDETIIFNVRLPKP
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 chain8dx0 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8dx0 Structure of VanS from vancomycin-resistant enterococci: A sensor kinase with weak ATP binding.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		E211 D250 E252
Binding residue
(residue number reindexed from 1)		E2 D41 E43
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
Gene Ontology
Molecular Function
GO:0016772 transferase activity, transferring phosphorus-containing groups
Biological Process
GO:0016310 phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:8dx0, PDBe:8dx0, PDBj:8dx0
PDBsum8dx0
PubMed36764524
UniProtQ9KJT3

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