Structure of PDB 5myi Chain D Binding Site BS01

Receptor Information
>5myi Chain D (length=165) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTNTLTTDQLQELLQIQKEFDDRIPTLNLGDSKIAYVVEFFEWFNTLETF
KNWKKKPGKPLDVQLDELADILLFGLSIANQQGFEEYDRDLFFESFDEEY
FLDFPYLRNQDMIYDMMSEFYDDDLTSIRRLVIVFKIAEQLYTIDQLIDA
YKKKMKRNHERQDGT
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5myi Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5myi Convergent evolution involving dimeric and trimeric dUTPases in pathogenicity island mobilization.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Q82 G83
Binding residue
(residue number reindexed from 1)		Q82 G83
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.23: dUTP diphosphatase.
Gene Ontology
Molecular Function
GO:0004170 dUTP diphosphatase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5myi, PDBe:5myi, PDBj:5myi
PDBsum5myi
PubMed28892519
UniProtA0A2D0TC88

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