Structure of PDB 4uxj Chain D Binding Site BS01

Receptor Information
>4uxj Chain D (length=159) Species: 5664 (Leishmania major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGRIELIIGPMFAGKTTELMRRVKREIHARRSCFVIKYLRAQAAVSQLTE
VRDTWKRFDVLAIDEGQFFSDLVDFCNTAADAGKVVMVSALDGDYRRKPF
GQICELVPYCEAVDKLTAVCMMCHEQPACFTRRTVNVEQQELIGGADMYI
ATCRECYSK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4uxj Chain D Residue 1180 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4uxj Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C140 C143 C173 C176
Binding residue
(residue number reindexed from 1)		C120 C123 C153 C156
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:4uxj, PDBe:4uxj, PDBj:4uxj
PDBsum4uxj
PubMed25978379
UniProtQ4QC75

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