Structure of PDB 5j16 Chain B Binding Site BS01

Receptor Information
>5j16 Chain B (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]
GSMALYGFAQGLIQEAGIRIKQLMEQNLVTNVDKATEDFIFDTILETYPN
HQVLGEEGHIDTSKGTVWVVDPIDGTLNFVHQQENFAISIGIYIDGKPYA
GFVYDVMADVLYHAKVGEGAYRGSQPLKPLNDSNLRQSIIGINPNWLTKP
ILGEIFKEIVNDSRSARAYGSAALEIVSVATGNLEAYMTPRLQPWDFAGG
LVILYEVNGQASNLLGEPLTISGPNSILVGNRGLHQEISNDYLEPHHDAL
IQLH
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 B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5j16 Crystal structure of Inositol monophosphate bound SaIMPase-II
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D83 D86 D208
Binding residue
(residue number reindexed from 1)		D71 D74 D196
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) D33 E56 D71 I73 D74 T76 D196
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

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

[Back to BioLiP]