Structure of PDB 5fuv Chain A Binding Site BS01

Receptor Information
>5fuv Chain A (length=173) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HGRIELIIGPMFAGKTTELMRRVQRHKHAQRSCYIIKYTGDTRHDQRALT
ANVSVSNLHDVGDEWRKYDVIAVDEGQFFPDVAAFCSKAADSGKVVIVSA
LDADYLQEPFEEICLLVSRADSVVKLSAVCMECHNRKASFTYRTVKSDER
KLVGGSDMYMSVCRSCYETKRNM
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 chain5fuv Chain A Residue 1387 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fuv Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S235 C236 T261 A262
Binding residue
(residue number reindexed from 1)		S32 C33 T50 A51
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:5fuv, PDBe:5fuv, PDBj:5fuv
PDBsum5fuv
PubMed27426054
UniProtQ38CF2

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