Structure of PDB 1xrj Chain B Binding Site BS02

Receptor Information
>1xrj Chain B (length=213) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPFLIGVSGGTASGKSSVCAKIVQLLGQNEVDYRQKQVVILSQDSFYRVL
TSEQKAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHS
RKEETVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVL
RDISERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAI
NLIVQHIQDILNG
Ligand information
Ligand IDC5P
InChIInChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyIERHLVCPSMICTF-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O
FormulaC9 H14 N3 O8 P
NameCYTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL307679
DrugBankDB03403
ZINCZINC000003861744
PDB chain1xrj Chain B Residue 406 [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]
PDB1xrj Structure of human uridine-cytidine kinase 2 determined by SIRAS using a rotating-anode X-ray generator and a single samarium derivative.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T29 Y65 F83 D84 Y112 F114 H117 R166 R169 R174 R176 Q184
Binding residue
(residue number reindexed from 1)		T11 Y47 F65 D66 Y94 F96 H99 R148 R151 R156 R158 Q166
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1xrj, PDBe:1xrj, PDBj:1xrj
PDBsum1xrj
PubMed15735337
UniProtQ9BZX2|UCK2_HUMAN Uridine-cytidine kinase 2 (Gene Name=UCK2)

[Back to BioLiP]