Structure of PDB 4g61 Chain A Binding Site BS02

Receptor Information

>4g61 Chain A (length=264) Species: 282459 (Staphylococcus aureus subsp. aureus MSSA476) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TDKTLQQIDKLICSWLKQIDNVIPQLIMEMTTETKRHRFDLVTNVDKQIQ
QQFQQFLATYFPEHQLLAEEKSNAMITNEINHLWIMDPIDGTANLVKQQE
DYCIILAYFYEGKPMLSYVYDYPHKKLYKAIRGEGAFCNGIKMEEPPSLK
LEDAIISFNAQVMNLDTVQDLFDASFSYRLVGACGLDSMRVAKGQFGAHI
NTNPKPWDIAAQFLFAELLNLKMTTLDGKAIDHLKGAPFIISNKACHETV
LKILNANGGYQKYR

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

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

Formula

Name

MAGNESIUM ION

PDB chain

4g61 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	4g61 Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Resolution	2.3 Å
Binding residue (original residue number in PDB)	E70 D88 I90
Binding residue (residue number reindexed from 1)	E69 D87 I89
Annotation score	4

External links

PDB	RCSB:4g61, PDBe:4g61, PDBj:4g61
PDBsum	4g61
PubMed	25263816

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