Structure of PDB 3p0e Chain A Binding Site BS01

Receptor Information
>3p0e Chain A (length=285) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVHVKNPYLDLMDEDILYHLDLGTKTHNLPAMFGDVKFVCVGGSPNRMKA
FALFMHKELGFIKDICAGTDRYCMYKTGPVLAISHGMGIPSISIMLHELI
KLLHHARCCDVTIIRIGTSGGIGIAPGTVVITDIAVDSFFKPRFEQVILD
NIVTRSTELDKELSEELFNCSKEIPNFPTLVGHTMCTYDFYEGQGRLDGA
LCSFSREKKLDYLKRAFKAGVRNIEMESTVFAAMCGLCGLKAAVVCVTLL
DRLDCDQINLPHDVLVEYQQRPQLLISNFIRRRLG
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 chain3p0e Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p0e A novel structural mechanism for redox regulation of uridine phosphorylase 2 activity.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T147 S148 G149 F219 Q223 R225 I253 E254 M255 L279 I287
Binding residue
(residue number reindexed from 1)		T118 S119 G120 F190 Q194 R196 I224 E225 M226 L250 I258
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E127 R281
Catalytic site (residue number reindexed from 1) E98 R252
Enzyme Commision number 2.4.2.3: uridine phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004850 uridine phosphorylase activity
GO:0005515 protein binding
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0042802 identical protein binding
GO:0047847 deoxyuridine phosphorylase activity
Biological Process
GO:0006218 uridine catabolic process
GO:0006249 dCMP catabolic process
GO:0009116 nucleoside metabolic process
GO:0009164 nucleoside catabolic process
GO:0009166 nucleotide catabolic process
GO:0044206 UMP salvage
GO:0046108 uridine metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0045098 type III intermediate filament

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3p0e, PDBe:3p0e, PDBj:3p0e
PDBsum3p0e
PubMed21855639
UniProtO95045|UPP2_HUMAN Uridine phosphorylase 2 (Gene Name=UPP2)

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