Structure of PDB 5j16 Chain D Binding Site BS02

Receptor Information
>5j16 Chain D (length=254) Species: 282459 (Staphylococcus aureus subsp. aureus MSSA476) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MALYGFAQGLIQEAGIRIKQLMEQNLVTNVDKATEDFIFDTILETYPNHQ
VLGEEIDTSKGTVWVVDPIDGTLNFVHQQENFAISIGIYIDGKPYAGFVY
DVMADVLYHAKVGEGAYRGSQPLKPLNDSNLRQSIIGINPNWLTKPILGE
IFKEIVNDSRSARAYGSAALEIVSVATGNLEAYMTPRLQPWDFAGGLVIL
YEVNGQASNLLGEPLTISGPNSILVGNRGLHQEISNDYLEPHHDALIQLH
EQRF
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 chain5j16 Chain D Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5j16 Crystal structure of Inositol monophosphate bound SaIMPase-II
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E65 D83 I85
Binding residue
(residue number reindexed from 1)		E54 D67 I69
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D42 E65 D83 I85 D86 T88 D208
Catalytic site (residue number reindexed from 1) D31 E54 D67 I69 D70 T72 D192
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008934 inositol monophosphate 1-phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0006020 inositol metabolic process
GO:0007165 signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:5j16, PDBe:5j16, PDBj:5j16
PDBsum5j16
PubMed
UniProtA0A1I9GET0

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