Structure of PDB 1uaq Chain B Binding Site BS02

Receptor Information
>1uaq Chain B (length=151) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKWDQKGMDIAYEEAALGYKEGGVPIGGCLINNKDGSVLGRGHNMRFQKG
SATLHGEISTLENCGRLEGKVYKDTTLYTTLSPCDMCTGAIIMYGIPRCV
VGENVNFKSKGEKYLQTRGHEVVVVDDERCKKIMKQFIDERPQDWFEDIG
E
Ligand information
Ligand IDDUC
InChIInChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
InChIKeyOIVLITBTBDPEFK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1CCNC(=O)N1
ACDLabs 10.04O=C1NC(=O)NCC1
OpenEye OEToolkits 1.5.0C1CNC(=O)NC1=O
FormulaC4 H6 N2 O2
NameDIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE;
DIHYDROURACIL
ChEMBL
DrugBankDB01849
ZINCZINC000000895228
PDB chain1uaq Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uaq Crystal structure of yeast cytosine deaminase. Insights into enzyme mechanism and evolution
Resolution1.6 Å
Binding residue
(original residue number in PDB)		I33 N51 H62 E64 C91 C94 D155
Binding residue
(residue number reindexed from 1)		I26 N44 H55 E57 C84 C87 D148
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H62 E64 S89 C91 C94
Catalytic site (residue number reindexed from 1) H55 E57 S82 C84 C87
Enzyme Commision number 3.5.4.1: cytosine deaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004131 cytosine deaminase activity
GO:0008270 zinc ion binding
GO:0008835 diaminohydroxyphosphoribosylaminopyrimidine deaminase activity
GO:0016787 hydrolase activity
GO:0016814 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines
GO:0019239 deaminase activity
GO:0046872 metal ion binding
Biological Process
GO:0008655 pyrimidine-containing compound salvage
GO:0019858 cytosine metabolic process
GO:0034654 nucleobase-containing compound biosynthetic process
GO:0044206 UMP salvage
GO:0046087 cytidine metabolic process
Cellular Component
GO:0005634 nucleus
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:1uaq, PDBe:1uaq, PDBj:1uaq
PDBsum1uaq
PubMed12637534
UniProtQ12178|FCY1_YEAST Cytosine deaminase (Gene Name=FCY1)

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