Structure of PDB 1uei Chain A Binding Site BS01

Receptor Information
>1uei Chain A (length=204) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPFLIGVSGGTASGKSSVCAKIVQLLQKQVVILSQDSFYRVLTSEQKAKA
LKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEETVTV
YPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDISERGR
DLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLIVQHIQ
DILN
Ligand information
Ligand IDUTP
InChIInChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)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)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyPGAVKCOVUIYSFO-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[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 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
FormulaC9 H15 N2 O15 P3
NameURIDINE 5'-TRIPHOSPHATE
ChEMBLCHEMBL336296
DrugBankDB04005
ZINCZINC000003861755
PDB chain1uei Chain A Residue 301 [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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PDB1uei 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 D62 Y65 F83 D84 Y112 F114 H117 E135 I137 R166 R169 R176
Binding residue
(residue number reindexed from 1)		T11 A12 S13 G14 K15 S16 D36 Y39 F57 D58 Y86 F88 H91 E109 I111 R140 R143 R150
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:1uei, PDBe:1uei, PDBj:1uei
PDBsum1uei
PubMed15130468
UniProtQ9BZX2|UCK2_HUMAN Uridine-cytidine kinase 2 (Gene Name=UCK2)

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