Structure of PDB 1p6o Chain B Binding Site BS02

Receptor Information
>1p6o Chain B (length=161) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSSMVTGGMASKWDQKGMDIAYEEAALGYKEGGVPIGGCLINNKDGSVLG
RGHNMRFQKGSATLHGEISTLENCGRLEGKVYKDTTLYTTLSPCDMCTGA
IIMYGIPRCVVGENVNFKSKGEKYLQTRGHEVVVVDDERCKKIMKQFIDE
RPQDWFEDIGE
Ligand information
Ligand IDHPY
InChIInChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-3,7H,(H2,5,6,8)/t3-/m0/s1
InChIKeyDEAAWXYGBWCVJW-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CNC(=O)N[C@H]1O
ACDLabs 10.04O=C1NC(O)C=CN1
CACTVS 3.341O[CH]1NC(=O)NC=C1
OpenEye OEToolkits 1.5.0C1=CNC(=O)NC1O
CACTVS 3.341O[C@@H]1NC(=O)NC=C1
FormulaC4 H6 N2 O2
Name4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE
ChEMBL
DrugBankDB03939
ZINCZINC000005835317
PDB chain1p6o Chain B Residue 410 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1p6o The 1.14 a crystal structure of yeast Cytosine deaminase. Evolution of nucleotide salvage enzymes and implications for genetic chemotherapy.
Resolution1.14 Å
Binding residue
(original residue number in PDB)		I233 N251 H262 E264 C291 D355
Binding residue
(residue number reindexed from 1)		I36 N54 H65 E67 C94 D158
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H262 E264 S289 C291 C294
Catalytic site (residue number reindexed from 1) H65 E67 S92 C94 C97
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:1p6o, PDBe:1p6o, PDBj:1p6o
PDBsum1p6o
PubMed12906827
UniProtQ12178|FCY1_YEAST Cytosine deaminase (Gene Name=FCY1)

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