Structure of PDB 4wpy Chain A Binding Site BS01

Receptor Information
>4wpy Chain A (length=88) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DHVLQHWTVDISIDEHEGLTRAKARLRWREKELVGVGLARLNPADRNVPE
IGDELSVARALSDLGKRMLKVSTHDIEAVTHQPARLLY
Ligand information
Ligand IDTFA
InChIInChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKeyDTQVDTLACAAQTR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01FC(F)(F)C(=O)O
CACTVS 3.370OC(=O)C(F)(F)F
OpenEye OEToolkits 1.7.0C(=O)(C(F)(F)F)O
FormulaC2 H F3 O2
Nametrifluoroacetic acid
ChEMBLCHEMBL506259
DrugBank
ZINCZINC000003860798
PDB chain4wpy Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4wpy A functional role of Rv1738 in Mycobacterium tuberculosis persistence suggested by racemic protein crystallography.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		L44 R46
Binding residue
(residue number reindexed from 1)		L38 R40
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4wpy, PDBe:4wpy, PDBj:4wpy
PDBsum4wpy
PubMed25831534
UniProtP9WLS2|Y1738_MYCTO Uncharacterized protein MT1780 (Gene Name=MT1780)

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