Structure of PDB 1upu Chain A Binding Site BS01

Receptor Information
>1upu Chain A (length=224) Species: 5811 (Toxoplasma gondii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEESILQDIITRFPNVVLMKQTAQLRAMMTIIRDKETPKEEFVFYADRLI
RLLIEEALNELPFQKKEVTTPLDVSYHGVSFYSKICGVSIVRAGESMESG
LRAVCRGVRIGKILIQRDETTAEPKLIYEKLPADIRERWVMLLDPMCATA
GSVCKAIEVLLRLGVKEERIIFVNILAAPQGIERVFKEYPKVRMVTAAVD
ICLNSRYYIVPGIGDFGDRYFGTM
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 chain1upu Chain A Residue 899 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1upu Crystal structures of Toxoplasma gondii uracil phosphoribosyltransferase reveal the atomic basis of pyrimidine discrimination and prodrug binding.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R129 R158
Binding residue
(residue number reindexed from 1)		R109 R138
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R137 T141 D235 D238
Catalytic site (residue number reindexed from 1) R117 T121 D215 D218
Enzyme Commision number 2.4.2.9: uracil phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0004845 uracil phosphoribosyltransferase activity
GO:0005525 GTP binding
GO:0016757 glycosyltransferase activity
Biological Process
GO:0044206 UMP salvage
Cellular Component
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:1upu, PDBe:1upu, PDBj:1upu
PDBsum1upu
PubMed9628859
UniProtQ26998|UPP_TOXGO Uracil phosphoribosyltransferase (Gene Name=uprt)

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