Structure of PDB 7e1w Chain B Binding Site BS06

Receptor Information
>7e1w Chain B (length=524) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LARQAEDIDTRYHPSAALRRQLNKVFPTHWSFLLGEIALYSFVVLLITGV
YLTLFFDPSMVDVTYNGVYQPLRGVEMSRAYQSALDISFEVRGGLFVRQI
HHWAALMFAAAIMVHLARIFFTGAFRRPRETNWVIGSLLLILAMFEGYFG
YSLPDDLLSGLGLRAALSSITLGMPVIGTWLHWALFGGDFPGTILIPRLY
ALHILLLPGIILALIGLHLALVWFQKHTQFPGPGRTEHNVVGVRVMPVFA
FKSGAFFAAIVGVLGLMGGLLQINPIWNLGPYKPSQVSAGSQPDFYMMWT
EGLARIWPPWEFYFWHHTIPAPVWVAVIMGLVFVLLPAYPFLEKRFTGDY
AHHNLLQRPRDVPVRTAIGAMAIAFYMVLTLAAMNDIIALKFHISLNATT
WIGRIGMVILPPFVYFITYRWCIGLQRSDRSVLEHGVETGIIKRLPHGAY
IELHQPLGPVDEHGHPIPLQYQGAPLPKRMNKLGSAGSPGSGSFLFADSA
AEDAALREAGHAAEQRALAALREH
Ligand information
Ligand IDHUU
InChIInChI=1S/C29H28ClF3N4O2/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33/h3-12,18,21H,2,13-17H2,1H3,(H,34,38)
InChIKeyOJICYBSWSZGRFB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(OC(F)(F)F)cc5
OpenEye OEToolkits 2.0.7CCc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)c5ccc(cc5)OC(F)(F)F
FormulaC29 H28 Cl F3 N4 O2
Name6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;
Telacebec
ChEMBLCHEMBL3298910
DrugBankDB17754
ZINCZINC000169325657
PDB chain7e1w Chain B Residue 611 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7e1w Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
Resolution2.67 Å
Binding residue
(original residue number in PDB)		G175 A179 M310 T313 E314
Binding residue
(residue number reindexed from 1)		G162 A166 M297 T300 E301
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.8: quinol--cytochrome-c reductase.
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7e1w, PDBe:7e1w, PDBj:7e1w
PDBsum7e1w
PubMed34819223
UniProtP9WP37|QCRB_MYCTU Cytochrome bc1 complex cytochrome b subunit (Gene Name=qcrB)

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