Structure of PDB 2dg1 Chain C Binding Site BS01

Receptor Information
>2dg1 Chain C (length=320) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDLPTLFYSGKSNSAVPIISESELQTITAEPWLEISKKGLQLEGLNFDRQ
GQLFLLDVFEGNIFKINPETKEIKRPFVSHKANPAAIKIHKDGRLFVCYL
GDFKSTGGIFAATENGDNLQDIIEDLSTAYCIDDMVFDSKGGFYFTDFRG
YSTNPLGGVYYVSPDFRTVTPIIQNISVANGIALSTDEKVLWVTETTANR
LHRIALEDDGVTIQPFGATIPYYFTGHEGPDSCCIDSDDNLYVAMYGQGR
VLVFNKRGYPIGQILIPGRDEGHMLRSTHPQFIPGTNQLIICSNDIEMGG
GSMLYTVNGFAKGHQSFQFQ
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 chain2dg1 Chain C Residue 3003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2dg1 Structural and Mutational Analyses of Drp35 from Staphylococcus aureus: A POSSIBLE MECHANISM FOR ITS LACTONASE ACTIVITY
Resolution1.72 Å
Binding residue
(original residue number in PDB)		E48 D138 N185 D236 S237
Binding residue
(residue number reindexed from 1)		E43 D133 N180 D231 S232
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.1.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2dg1, PDBe:2dg1, PDBj:2dg1
PDBsum2dg1
PubMed17166853
UniProtQ99QV3|DRP35_STAAM Lactonase drp35 (Gene Name=drp35)

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