Structure of PDB 3euf Chain D Binding Site BS01

Receptor Information
>3euf Chain D (length=294) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DCPVRLLNPNIAKMKEDILYHFNLTTSRHNFPALFGDVKFVCVGGSPSRM
KAFIRCVGAELGLDCPGRDYPNICAGTDRYAMYKVGPVLSVSHGMGIPSI
SIMLHELIKLLYYARCSNVTIIRIGTSGGIGLEPGTVVITEQAVDTCFKA
EFEQIVLGKRVIRKTDLNKKLVQELLLCSAELSEFTTVVGNTMCTLDFYE
GQGRLDGALCSYTEKDKQAYLEAAYAAGVRNIEMESSVFAAMCSACGLQA
AVVCVTLLNRLEGDQISSPRNVLSEYQQRPQRLVSYFIKKKLSK
Ligand information
Ligand IDBAU
InChIInChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
InChIKeySPJAGILXQBHHSZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1C(=CN(C(=O)N1)COCCO)Cc2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO
CACTVS 3.341OCCOCN1C=C(Cc2ccccc2)C(=O)NC1=O
FormulaC14 H16 N2 O4
Name1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE
ChEMBLCHEMBL17432
DrugBankDB07437
ZINC
PDB chain3euf Chain C Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3euf Implications of the structure of human uridine phosphorylase 1 on the development of novel inhibitors for improving the therapeutic window of fluoropyrimidine chemotherapy.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y35 H36
Binding residue
(residue number reindexed from 1)		Y20 H21
Annotation score1
Binding affinityBindingDB: Kd=1200nM
Enzymatic activity
Catalytic site (original residue number in PDB) E121 R275
Catalytic site (residue number reindexed from 1) E106 R260
Enzyme Commision number 2.4.2.3: uridine phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004850 uridine phosphorylase activity
GO:0009032 thymidine phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0042802 identical protein binding
GO:0047847 deoxyuridine phosphorylase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006218 uridine catabolic process
GO:0006220 pyrimidine nucleotide metabolic process
GO:0006248 CMP catabolic process
GO:0006249 dCMP catabolic process
GO:0009116 nucleoside metabolic process
GO:0009164 nucleoside catabolic process
GO:0009166 nucleotide catabolic process
GO:0042149 cellular response to glucose starvation
GO:0044206 UMP salvage
GO:0046050 UMP catabolic process
GO:0046074 dTMP catabolic process
GO:0046079 dUMP catabolic process
GO:0046108 uridine metabolic process
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3euf, PDBe:3euf, PDBj:3euf
PDBsum3euf
PubMed19291308
UniProtQ16831|UPP1_HUMAN Uridine phosphorylase 1 (Gene Name=UPP1)

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