Structure of PDB 8i3p Chain A Binding Site BS01

Receptor Information
>8i3p Chain A (length=164) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGMASKWDQKGMDIAYEEAALGYKEGGVPIGGCLINNKDGSVLGRGHNMR
FQKGSATLHGEISTLENCGRLEGKVYKDTTLYTTLSPCDMCTGAIIMYGI
PRCVVGENVNFKSKGEKYLQTRGHEVVVVDDERCKKIMKQFIDERPQDWF
EDIGERIELQKQQE
Ligand information
Ligand IDOS0
InChIInChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-3,7H,(H2,5,6,8)
InChIKeyDEAAWXYGBWCVJW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[CH]1NC(=O)NC=C1
OpenEye OEToolkits 2.0.7C1=CNC(=O)NC1O
CACTVS 3.385O[C@H]1NC(=O)NC=C1
FormulaC4 H6 N2 O2
Name4-oxidanyl-3,4-dihydro-1H-pyrimidin-2-one
ChEMBL
DrugBank
ZINC
PDB chain8i3p Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8i3p crystal structure of yeast cytosine deaminase mutant yCD-RQ-1/8SAH in complex with (R)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
Resolution1.3 Å
Binding residue
(original residue number in PDB)		I33 H62 E64 C91 C94 W152 D155
Binding residue
(residue number reindexed from 1)		I30 H59 E61 C88 C91 W149 D152
Annotation score1
Enzymatic activity
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:8i3p, PDBe:8i3p, PDBj:8i3p
PDBsum8i3p
PubMed
UniProtQ12178|FCY1_YEAST Cytosine deaminase (Gene Name=FCY1)

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