Structure of PDB 4uxi Chain B Binding Site BS01

Receptor Information
>4uxi Chain B (length=160) Species: 5664 (Leishmania major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGRIELIIGPMFAGKTTELMRRVKREIHARRSCFVIKYSRAQAAVSQLTE
VRDTWKRFDVLAIDEGQFFSDLVDFCNTAADAGKVVMVSALDGDYRRKPF
GQICELVPYCEAVDKLTAVCMMCHEQPACFTRRTVNVEQQELIGGADMYI
ATCRECYSKQ
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 B Residue 1181 [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)		F14 G16 K17
Binding residue
(residue number reindexed from 1)		F12 G14 K15
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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