Structure of PDB 2fr5 Chain A Binding Site BS03

Receptor Information
>2fr5 Chain A (length=136) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPEHVQRLLLSSREAKKSAYCPYSRFPVGAALLTGDGRIFSGCNIENACY
PLGVCAERTAIQKAISEGYKDFRAIAISSDLQEEFISPCGACRQVMREFG
TDWAVYMTKPDGTFVVRTVQELLPASFGPEDLQKIQ
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
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		A58 C59 Y60 P61
Binding residue
(residue number reindexed from 1)		A48 C49 Y50 P51
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

View graph for
Molecular Function
View graph for
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)

[Back to BioLiP]