Structure of PDB 1ux1 Chain A Binding Site BS01

Receptor Information
>1ux1 Chain A (length=131) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNRQELITEALKARDMAYAPYSKFQVGAALLTKDGKVYRGCNIENAAYSM
CNHAEQTALFKAVSEGDTEFQMLAVAADTPGPVSPCGACRQVISELCTKD
VIVVLTNLQGQIKEMTVEELLPGAFSSEDLH
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 A 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)		S22 F24 V26 N42 E44 H53 E55 P85 C86
Binding residue
(residue number reindexed from 1)		S22 F24 V26 N42 E44 H53 E55 P85 C86
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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