Structure of PDB 117e Chain A Binding Site BS05

Receptor Information
>117e Chain A (length=282) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYTTRQIGAKNTLEYKVYIEKDGKPVSAFHDIPLYADKENNIFNMVVEIP
RWTNAKLEITKEETLNPIIQDTKKGKLRFVRNCFPHHGYIHNYGAFPQTW
EDPNVSHPETKAVGDNEPIDVLEIGETIAYTGQVKQVKALGIMALLDEGE
TDWKVIAIDINDPLAPKLNDIEDVEKYFPGLLRATNEWFRIYKIPDGKPE
NQFAFSGEAKNKKYALDIIKETHDSWKQLIAGKSSDSKGIDLTNVTLPDT
PTYSKAASDAIPPASLKADAPIDKSIDKWFFI
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 chain117e Chain A Residue 3002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB117e The R78K and D117E active-site variants of Saccharomyces cerevisiae soluble inorganic pyrophosphatase: structural studies and mechanistic implications.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		K56 Y93 E117 D120
Binding residue
(residue number reindexed from 1)		K56 Y93 E117 D120
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.1: inorganic diphosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004427 inorganic diphosphate phosphatase activity
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006796 phosphate-containing compound metabolic 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:117e, PDBe:117e, PDBj:117e
PDBsum117e
PubMed9878371
UniProtP00817|IPYR_YEAST Inorganic pyrophosphatase (Gene Name=IPP1)

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