2025-10-25_00000002|hard|8RCX

Crystal structure of the Mycobacterium tuberculosis regulator VirS (N-terminal fragment 4-208) in complex with the drug candidate alpibectir; X-ray diffraction 1.49Å
Protein #1 403 residues (51% resolved)

MGSSHHHHHHSSGLVPRGSHMDPEEASVTSTEETLTPAQEAAETEAANKAEEEAELEAETAEQMELGSLIRATNLWGYTDLMRELGADPLPFLRRFDIPPGIEHQEDAFMSLAGFVRMLEASAAELDCPDFGLRLARWQGLGILGPVAVIARNAATLFGGLEAIGRYLYVHSPALTLTVSSTTARSNVRFGYEVTEPGIPYPLQGYELSMANAARMIRLLGGPQARARVFSFRHAQLGTDAAYREALGCTVRFGRTWCGFEVDHRLAGRPIDHADPETKRIATKYLESQYLPSDATLSERVVGLARRLLPTGQCSAEAIADQLDMHPRTLQRRLAAEGLRCHDLIERERRAQAARYLAQPGLYLSQIAVLLGYSEQSALNRSCRRWFGMTPRQYRAYGGVSGR

MGSSHHHHHHSSGLVPRGSHMDPEEASVTSTEETLTPAQEAAETEAANKAEEEAELEAETAEQMELGSLIRATNLWGYTDLMRELGADPLPFLRRFDIPPGIEHQEDAFMSLAGFVRMLEASAAELDCPDFGLRLARWQGLGILGPVAVIARNAATLFGGLEAIGRYLYVHSPALTLTVSSTTARSNVRFGYEVTEPGIPYPLQGYELSMANAARMIRLLGGPQARARVFSFRHAQLGTDAAYREALGCTVRFGRTWCGFEVDHRLAGRPIDHADPETKRIATKYLESQYLPSDATLSERVVGLARRLLPTGQCSAEAIADQLDMHPRTLQRRLAAEGLRCHDLIERERRAQAARYLAQPGLYLSQIAVLLGYSEQSALNRSCRRWFGMTPRQYRAYGGVSGR
Non polymer #2 YPQ

InChI=1S/C12H14F6N2O2/c13-11(14,15)2-1-9(21)20-5-3-10(4-6-20)7-8(19-22-10)12(16,17)18/h1-7H2

C1CN(CCC12CC(=NO2)C(F)(F)F)C(=O)CCC(F)(F)F
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Reference