Structure of PDB 5f13 Chain B Binding Site BS02

Receptor Information
>5f13 Chain B (length=449) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPGRFMTIDKGTFGEYTASTRWPIIIQNAIDDLSKHQETEKSNGTKFEQG
EVIKKELKEFRQEIIDRVPLRPFTEEEIKIANVPLSFNEYLKKHPEVNWG
AVEWLFSEVYLYRRVNVLFQRQCEWAKFDIFNRLKQSTFESSFYGVVELA
LRYENLLPQLREMKQNPGNEIDDILKVLFKEFIEISLWGNDIKSIQGAKA
RAASESKIVVNDTEKAWEVLTKARADEIRVDFVLDNSGFELYADLMLAAF
LLQSGLATKCIFHAKDIPYMVSDVMLKDFDILVHDLRDREFFPSGEPSTK
ESRALDLFAGEMEKFVSSGKIEFREDSFWTTELDYWNLDANETKYHGSIL
HKDLQKSNLVIFKGDLNYRKLTGDRKWPRTTKWETAIGPLATNGITSLSL
RTCKADVQVALPEGLDAKLSQEWEKENPGRGSWWCCSGKWAVICFCSGI
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 chain5f13 Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5f13 A family of metal-dependent phosphatases implicated in metabolite damage-control.
Resolution2.393 Å
Binding residue
(original residue number in PDB)		D254 N255 D384 L385
Binding residue
(residue number reindexed from 1)		D235 N236 D365 L366
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0046872 metal ion binding
GO:0097023 fructose 6-phosphate aldolase activity
GO:0103026 fructose-1-phosphatase activity
Biological Process
GO:0006974 DNA damage response
GO:0008150 biological_process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5f13, PDBe:5f13, PDBj:5f13
PDBsum5f13
PubMed27322068
UniProtQ04371|ARMT1_YEAST Damage-control phosphatase YMR027W (Gene Name=YMR027W)

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