Structure of PDB 4fye Chain A Binding Site BS01

Receptor Information
>4fye Chain A (length=725) Species: 272624 (Legionella pneumophila subsp. pneumophila str. Philadelphia 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITENIETYVTHLLSDLEPVPSQNQHLAYGYPGERQVFKDPMLDGKQVVVV
NSQYDKHGRPVTGQPDVIQEANNYIDNLVAAAKSLIDKDKKGEKDLRKNA
IDEMAKTFKKSISETIPSDKAKADLFSSKKSSANKDFLEQLAKVEGSLQQ
FTQAVAKASGHKLKALDKEGHNIRSHNRDTLIHRFKAPNSKEGEEQFIMY
IPCGRYTKRQQRLMGKDESDLVLGNSSMARMIAGTRHSDGTVTIHHDSFS
GPGARMPYSDFKGADDYKKLAIKAVTLINQEEVIQTLAQRQIDRMTNEDL
WNKIPEEYRPDELPPDAEKARAQLIKLYVEHNPLSVTECYTQVVTAGQRV
AAENQKEQFEYVRQMMDAFDGSKAKITIQTGSNTEVETAVGYQARMSSWG
VNWFRQVGALNPLSDNSVTKNQNARFVNQMTDDVIRNLDKVAQNLGDYDK
AGALHTLLKGPDVSDLNQQITEKENALKEVKGAYREALFSYFEEYQKGEG
KWDQAKLDQLKNQVDGYEKSIKKQESAIYELHNQIDALRKAYYTEHKGQI
NKALQELKEQISPVIQNKETDPETKSRLQHFYNSCAYLTQAQELYYENTW
HHGKNNFKLQTLMASLSCELDYANTKGSKSNNDRGQRLAQKIVGNALWTA
MSEDGLYTGEFLDHRRTHGKEVSNVEQLDRELTTIQALHHTANTGVSGGK
FEIQDKANFADNGLFGKVANFAKIK
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 chain4fye Chain A Residue 801 [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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PDB4fye Structural basis for substrate recognition by a unique Legionella phosphoinositide phosphatase.
Resolution2.413 Å
Binding residue
(original residue number in PDB)		S645 K646 N648 D650 R651
Binding residue
(residue number reindexed from 1)		S628 K629 N631 D633 R634
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.67: phosphatidylinositol-3,4,5-trisphosphate 3-phosphatase.
External links