Structure of PDB 4i40 Chain A Binding Site BS02

Receptor Information
>4i40 Chain A (length=262) Species: 282459 (Staphylococcus aureus subsp. aureus MSSA476) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTLQQIDKLICSWLKQIDNVIPQLIMEMTTETKRHRFDLVTNVDKQIQQQ
FQQFLATYFPEHQLLAEEKSNAMITNEINHLWIMDPIDGTANLVKQQEDY
CIILAYFYEGKPMLSYVYDYPHKKLYKAIRGEGAFCNGIKMEEPPSLKLE
DAIISFNAQVMNLDTVQDLFDASFSYRLVGACGLDSMRVAKGQFGAHINT
NPKPWDIAAQFLFAELLNLKMTTLDGKAIDHLKGAPFIISNKACHETVLK
ILNANGGYQKYR
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4i40 Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4i40 Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E70 D88 I90 D91 G92 T93
Binding residue
(residue number reindexed from 1)		E67 D85 I87 D88 G89 T90
Annotation score3
External links