Structure of PDB 4fyf Chain A Binding Site BS01

Receptor Information
>4fyf Chain A (length=739) 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]
RITENIETYVTHLLSDLEPVPSQNQHLAYGYPGERQVFKDPMLDGKQVVV
VNSQYDKHGRPVTGQPDVIQEANNYIDNLVAAAKSLIDKDKKGEKDLRKN
AIDEMAKTFKKSISETIPSDKAKADLFSSKKSSANKDFLEQLAKVEGSLQ
QFTQAVAKASGHKLKALDKEGHNIRSHNRDTLIHRFKAPNSKEGEEQFIM
YIPCGRYTKRQQRLMGKDESEVNRDHDTTSHKRSDLVLGNSSMARMIAGT
RHSDGTVTIHHDSFSGPGARMPYSDFKGADDYKKLAIKAVTLINQEEVIQ
TLAQRQIDRMTNEDLWNKIPEEYRPDELPPDAEKARAQLIKLYVEHNPLS
VTECYTQVVTAGQRVAAENQKEQFEYVRQMMDAFDGSKAKITIQTGSNTE
VETAVGYQARMSSWGVNWFRQVGALNPLSDNSVTKNQNARFVNQMTDDVI
RNLDKVAQNLGDYDKAGALHTLLKGPDVSDLNQQITEKENALKEVKGAYR
EALFSYFEEYQKGEGKWDQAKLDQLKNQVDGYEKSIKKQESAIYELHNQI
DALRKAYYTEHKGQINKALQELKEQISPVIQNKETDPETKSRLQHFYNSC
AYLTQAQELYYENTWHHGKNNFKLQTLMASLSCELDYANTKGSKSNNDRG
QRLAQKIVGNALWTAMSEDGLYTGEFLDHRRTHGKEVSNVEQLDRELTTI
QALHHTANTGVSGGKFEIQDKANFADNGLFGKVANFAKI
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 chain4fyf 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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PDB4fyf Structural basis for substrate recognition by a unique Legionella phosphoinositide phosphatase.
Resolution2.424 Å
Binding residue
(original residue number in PDB)		S645 K646 N648 D650 R651
Binding residue
(residue number reindexed from 1)		S643 K644 N646 D648 R649
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.67: phosphatidylinositol-3,4,5-trisphosphate 3-phosphatase.
External links