Structure of PDB 1ux1 Chain B Binding Site BS03

Receptor Information
>1ux1 Chain B (length=130) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNRQELITEALKARDMAYAPYSKFQVGAALLTKDGKVYRGCNIENAAYSM
CNHAEQTALFKAVSEGDTEFQMLAVAADTPGPVSPCGACRQVISELCTKD
VIVVLTNLQGQIKEMTVEELLPGAFSSEDL
Ligand information
Ligand IDTHU
InChIInChI=1S/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8?/m0/s1
InChIKeyXMJRLEURHMTTRX-FWHJPCMOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O
CACTVS 3.341OC[C@H]1O[C@H](C[C@@H]1O)N2CCC(=O)NC2=O
CACTVS 3.341OC[CH]1O[CH](C[CH]1O)N2CCC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1CN(C(=O)NC1=O)C2CC(C(O2)CO)O
ACDLabs 10.04O=C1N(CCC(=O)N1)C2OC(C(O)C2)CO
FormulaC9 H14 N2 O5
NameTETRAHYDRODEOXYURIDINE
ChEMBL
DrugBankDB03562
ZINC
PDB chain1ux1 Chain D Residue 138 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ux1 Structural, Kinetic, and Mutational Studies of the Zinc Ion Environment in Tetrameric Cytidine Deaminase
Resolution2.36 Å
Binding residue
(original residue number in PDB)		A46 Y48
Binding residue
(residue number reindexed from 1)		A46 Y48
Annotation score2
Enzymatic activity
Enzyme Commision number 3.5.4.5: cytidine deaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004126 cytidine deaminase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0009972 cytidine deamination
GO:0055086 nucleobase-containing small molecule metabolic process
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
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Cellular Component
External links
PDB RCSB:1ux1, PDBe:1ux1, PDBj:1ux1
PDBsum1ux1
PubMed15147186
UniProtP19079|CDD_BACSU Cytidine deaminase (Gene Name=cdd)

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