Structure of PDB 5eyg Chain A Binding Site BS02

Receptor Information

>5eyg Chain A (length=256) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MTDKTLQQIDKLICSWLKQIDNVIPQLIMEMTTVTNVDKQIQQQFQQFLA
TYFPEHQLLAEEKSNAMITNEINHLWIMDPIDGTANLVKQQEDYCIILAY
FYEGKPMLSYVYDYPHKKLYKAIRGEGAFCNGFKMEEPPSLKLEDAIISF
NAQVMNLDTVQDLFDASFSYRLVGACGLDSMRVAKGQFGAHINTNPKPWD
IAAQFLFAELLNLKMTTLDGKAIDHLKGAPFIISNKACHETVLKILNANG
GYQKYR

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

5eyg Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5eyg Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Resolution	2.2 Å
Binding residue (original residue number in PDB)	E70 D88 I90
Binding residue (residue number reindexed from 1)	E61 D79 I81
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	E70 D88 I90 D91 T93 D209
Catalytic site (residue number reindexed from 1)	E61 D79 I81 D82 T84 D200
Enzyme Commision number	3.1.3.25: inositol-phosphate phosphatase.

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
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:5eyg, PDBe:5eyg, PDBj:5eyg
PDBsum	5eyg
PubMed	26894675
UniProt	Q2FVV7

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