Structure of PDB 3kuk Chain B Binding Site BS02

Receptor Information
>3kuk Chain B (length=293) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HNDLVQLCNPHIAAMKEDILYHFSLSTSTHDFPAMFGDVKFVCVGGSPSR
MKAFIKYVAMELGFAHADYPNICEGTDRYAMFKVGPVLSVSHGMGVPSIA
IMLHELIKLLYHAHCSGVTLIRIGTSGGIGLEPGSVVITRQAVDPCFKPE
FEQIVLGKREVRNTDLDEQLVQELARCSAELGEFPTVVGNTMCTLDFYEG
QGRLDGALCSYTEKDKQDYLRAAYAAGIRNIEMEASVFAAMCNACGLRAA
VVCVTLLNRLEGDQISSPHDVLAEYQQRPQRLVGQFIKKRLMQ
Ligand information
Ligand IDDUR
InChIInChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1
InChIKeyMXHRCPNRJAMMIM-SHYZEUOFSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CO
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=O)NC2=O)CO)O
CACTVS 3.341OC[CH]1O[CH](C[CH]1O)N2C=CC(=O)NC2=O
CACTVS 3.341OC[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O
FormulaC9 H12 N2 O5
Name2'-DEOXYURIDINE
ChEMBLCHEMBL353955
DrugBankDB02256
ZINCZINC000000155696
PDB chain3kuk Chain B Residue 311 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kuk Glycal formation in crystals of uridine phosphorylase.
Resolution2.783 Å
Binding residue
(original residue number in PDB)		M109 T140 S141 G142 F212 Q216 R218 I246 E247 M248
Binding residue
(residue number reindexed from 1)		M94 T125 S126 G127 F197 Q201 R203 I231 E232 M233
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) E120 R274
Catalytic site (residue number reindexed from 1) E105 R259
Enzyme Commision number 2.4.2.3: uridine phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004850 uridine phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0047847 deoxyuridine phosphorylase activity
Biological Process
GO:0009116 nucleoside metabolic process
GO:0009164 nucleoside catabolic process
GO:0009166 nucleotide catabolic 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:3kuk, PDBe:3kuk, PDBj:3kuk
PDBsum3kuk
PubMed20364833
UniProtA5PJH9

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