Structure of PDB 1udw Chain B Binding Site BS01

Receptor Information
>1udw Chain B (length=209) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPFLIGVSGGTASGKSSVCAKIVQLLGQYRQKQVVILSQDSFYRVLTSEQ
KAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEE
TVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDIS
ERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLIV
QHIQDILNG
Ligand information
Ligand IDCTP
InChIInChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyPCDQPRRSZKQHHS-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
FormulaC9 H16 N3 O14 P3
NameCYTIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL223533
DrugBankDB02431
ZINCZINC000003861746
PDB chain1udw Chain B Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1udw Structural basis for the specificity, catalysis, and regulation of human uridine-cytidine kinase
Resolution2.6 Å
Binding residue
(original residue number in PDB)		T29 A30 S31 G32 K33 S34 Y65 F83 D84 Y112 F114 E135 R166 R169 R174 R176 Q184
Binding residue
(residue number reindexed from 1)		T11 A12 S13 G14 K15 S16 Y43 F61 D62 Y90 F92 E113 R144 R147 R152 R154 Q162
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.1.48: uridine/cytidine kinase.
Gene Ontology
Molecular Function
GO:0004849 uridine kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0042802 identical protein binding
GO:0043771 cytidine kinase activity
Biological Process
GO:0009224 CMP biosynthetic process
GO:0016310 phosphorylation
GO:0044206 UMP salvage
GO:0044211 CTP salvage
Cellular Component
GO:0005575 cellular_component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1udw, PDBe:1udw, PDBj:1udw
PDBsum1udw
PubMed15130468
UniProtQ9BZX2|UCK2_HUMAN Uridine-cytidine kinase 2 (Gene Name=UCK2)

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