Structure of PDB 3kvr Chain A Binding Site BS01
Receptor Information
>3kvr Chain A (length=293) Species:
9913
(Bos taurus) [
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LVQLCNPHIAAMKEDILYHFSLSTSTHDFPAMFGDVKFVCVGGSPSRMKA
FIKYVAMELGFAHPGADYPNICEGTDRYAMFKVGPVLSVSHGMGVPSIAI
MLHELIKLLYHAHCSGVTLIRIGTSGGIGLEPGSVVITRQAVDPCFKPEF
EQIVLGKREVRNTDLDEQLVQELARCSAELGEFPTVVGNTMCTLDFYEGQ
GRLDGALCSYTEKDKQDYLRAAYAAGIRNIEMEASVFAAMCNACGLRAAV
VCVTLLNRLEGDQISSPHDVLAEYQQRPQRLVGQFIKKRLMQA
Ligand information
Ligand ID
URF
InChI
InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey
GHASVSINZRGABV-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C1=C(C(=O)NC(=O)N1)F
ACDLabs 10.04
CACTVS 3.341
FC1=CNC(=O)NC1=O
Formula
C4 H3 F N2 O2
Name
5-FLUOROURACIL
ChEMBL
CHEMBL185
DrugBank
DB00544
ZINC
ZINC000038212689
PDB chain
3kvr Chain A Residue 2001 [
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Receptor-Ligand Complex Structure
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PDB
3kvr
Glycal formation in crystals of uridine phosphorylase.
Resolution
2.6 Å
Binding residue
(original residue number in PDB)
T140 S141 G142 F212 Q216 R218 E247
Binding residue
(residue number reindexed from 1)
T124 S125 G126 F196 Q200 R202 E231
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
E120 R274
Catalytic site (residue number reindexed from 1)
E104 R258
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:3kvr
,
PDBe:3kvr
,
PDBj:3kvr
PDBsum
3kvr
PubMed
20364833
UniProt
A5PJH9
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