Structure of PDB 4uxi Chain A Binding Site BS01

Receptor Information
>4uxi Chain A (length=164) Species: 5664 (Leishmania major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FRGRIELIIGPMFAGKTTELMRRVKREIHARRSCFVIKYSMLRAQAAVSQ
LTEVRDTWKRFDVLAIDEGQFFSDLVDFCNTAADAGKVVMVSALDGDYRR
KPFGQICELVPYCEAVDKLTAVCMMCHEQPACFTRRTVNVEQQELIGGAD
MYIATCRECYSKQQ
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4uxi Chain A Residue 1182 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4uxi Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Resolution2.74 Å
Binding residue
(original residue number in PDB)		M13 F14 G16 K17 T18
Binding residue
(residue number reindexed from 1)		M12 F13 G15 K16 T17
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.21: thymidine kinase.
Gene Ontology
Molecular Function
GO:0004797 thymidine kinase activity
GO:0005524 ATP binding

View graph for
Molecular Function
External links
PDB RCSB:4uxi, PDBe:4uxi, PDBj:4uxi
PDBsum4uxi
PubMed25978379
UniProtQ4QC75

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