Structure of PDB 4r7o Chain C Binding Site BS01

Receptor Information
>4r7o Chain C (length=280) Species: 198094 (Bacillus anthracis str. Ames) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKNKFLNIAHRGASGHAPEHTFASYDLVKKMKADYLELDIQLTKDGQLIA
MHDTAVDRTTNGTGEVRDKTLSEIKSLDAGSWFNKAYPEKAKQEYVGQKV
PTLEEIFQKYGRSMKYYIETKSPDVYPGMEEKLLALLEKYNLIGQNMSSS
RVMIQSFSKDSLKKIHSINKNIPLVQLLWYYPNENNEIVEWSGITHEPKR
VTNDDFQEIKKYAVGIGPNLRNDNGDLIINESYMKMARQNGLLIHPYTIN
EKPDMRLLMKWGATGMFTNYPDRLHTVLKE
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 chain4r7o Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4r7o Crystal Structure of Putative Glycerophosphoryl Diester Phosphodiesterasefrom Bacillus anthraci
Resolution2.534 Å
Binding residue
(original residue number in PDB)		E70 D72 E152
Binding residue
(residue number reindexed from 1)		E37 D39 E119
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H43 R44 E70 D72 H85 E152 K154 N302
Catalytic site (residue number reindexed from 1) H10 R11 E37 D39 H52 E119 K121 N269
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008081 phosphoric diester hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006629 lipid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4r7o, PDBe:4r7o, PDBj:4r7o
PDBsum4r7o
PubMed
UniProtA0A6L7H2E6

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