Structure of PDB 2fr5 Chain C Binding Site BS03

Receptor Information
>2fr5 Chain C (length=134) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEPEHVQRLLLSSREAKKSAYCPYSRFPVGAALLTGDGRIFSGCNIENAC
YPLGVCAERTAIQKAISEGYKDFRAIAISSDLQEEFISPCGACRQVMREF
GTDWAVYMTKPDGTFVVRTVQELLPASFGPEDLQ
Ligand information
Ligand IDTYU
InChIInChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyUCKYOOZPSJFJIZ-FMDGEEDCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2CC[C@@H](O)NC2=O
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2CC[CH](O)NC2=O
ACDLabs 10.04O=C1N(CCC(O)N1)C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0C1CN(C(=O)NC1O)C2C(C(C(O2)CO)O)O
FormulaC9 H16 N2 O6
NameTETRAHYDROURIDINE;
1-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-4- HYDROXY-TETRAHYDRO-PYRIMIDIN-2-ONE
ChEMBLCHEMBL1236475
DrugBank
ZINCZINC000001703948
PDB chain2fr5 Chain C Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fr5 The 1.48 A Resolution Crystal Structure of the Homotetrameric Cytidine Deaminase from Mouse
Resolution1.48 Å
Binding residue
(original residue number in PDB)		V38 N54 E56 C65 E67 C99
Binding residue
(residue number reindexed from 1)		V29 N45 E47 C56 E58 C90
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.4.5: cytidine deaminase.
Gene Ontology
Molecular Function
GO:0001882 nucleoside binding
GO:0003824 catalytic activity
GO:0004126 cytidine deaminase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0019239 deaminase activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0006248 CMP catabolic process
GO:0006249 dCMP catabolic process
GO:0009972 cytidine deamination
GO:0030308 negative regulation of cell growth
GO:0044206 UMP salvage
GO:0045980 negative regulation of nucleotide metabolic process
GO:0046898 response to cycloheximide
GO:0055086 nucleobase-containing small molecule metabolic process
GO:0071217 cellular response to external biotic stimulus
GO:0072527 pyrimidine-containing compound metabolic process
GO:1901135 carbohydrate derivative metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2fr5, PDBe:2fr5, PDBj:2fr5
PDBsum2fr5
PubMed16784234
UniProtP56389|CDD_MOUSE Cytidine deaminase (Gene Name=Cda)

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