2025-10-04_00000000|ligand|8S7K

M. tuberculosis gyrase holocomplex with 150 bp DNA and gepotidacin; Electron microscopy 3.20Å
Protein #1 837 residues (58% resolved)

TDTTLPPDDSLDRIEPVDIEQEMQRSYIDYAMSVIVGRALPEVRDGLKPVHRRVLYAMFDSGFRPDRSHAKSARSVAETMGNYHPHGDASIYDSLVRMAQPWSLRYPLVDGQGNFGSPGNDPPAAMRYTEARLTPLAMEMLREIDEETVDFIPNYDGRVQEPTVLPSRFPNLLANGSGGIAVGMATNIPPHNLRELADAVFWALENHDADEEETLAAVMGRVKGPDFPTAGLIVGSQGTADAYKTGRGSIRMRGVVEVEEDSRGRTSLVITELPYQVNHDNFITSIAEQVRDGKLAGISNIEDQSSDRVGLRIVIEIKRDAVAKVVINNLYKHTQLQTSFGANMLAIVDGVPRTLRLDQLIRYYVDHQLDVIVRRTTYRLRKANERAHILRGLVKALDALDEVIALIRASETVDIARAGLIELLDIDEIQAQAILDMQLRRLAALERQRIIDDLAKIEAEIADLEDILAKPERQRGIVRDELAEIVDRHGDDRRTRIIAIDGDVSDEDLIAREDVVVTITETGYAKRTKTDLYRSQKRGGKGVQGAGLKQDDIVAHFFVCSTHDLILFFTTQGRVYRAKAYDLPEASRTARGQHVANLLAFQPEERIAQVIQIRGYTDAPYLVLATRNGLVKKSKLTDFDSNRSGGIVAVNLRDNDELVGAVLCSAGDDLLLVSANGQSIRFSATDEALRPMGRATSGVQGMRFNIDDRLLSLNVVREGTYLLVATSGGYAKRTAIEEYPVQGRGGKGVLTVMYDRRRGRLVGALIVDDDSELYAVTSGGGVIRTAARQVRKAGRQTKGVRLMNLGEGDTLLAIARNAEESGDDNAVDANGADQTGN

TDTTLPPDDSLDRIEPVDIEQEMQRSYIDYAMSVIVGRALPEVRDGLKPVHRRVLYAMFDSGFRPDRSHAKSARSVAETMGNYHPHGDASIYDSLVRMAQPWSLRYPLVDGQGNFGSPGNDPPAAMRYTEARLTPLAMEMLREIDEETVDFIPNYDGRVQEPTVLPSRFPNLLANGSGGIAVGMATNIPPHNLRELADAVFWALENHDADEEETLAAVMGRVKGPDFPTAGLIVGSQGTADAYKTGRGSIRMRGVVEVEEDSRGRTSLVITELPYQVNHDNFITSIAEQVRDGKLAGISNIEDQSSDRVGLRIVIEIKRDAVAKVVINNLYKHTQLQTSFGANMLAIVDGVPRTLRLDQLIRYYVDHQLDVIVRRTTYRLRKANERAHILRGLVKALDALDEVIALIRASETVDIARAGLIELLDIDEIQAQAILDMQLRRLAALERQRIIDDLAKIEAEIADLEDILAKPERQRGIVRDELAEIVDRHGDDRRTRIIAIDGDVSDEDLIAREDVVVTITETGYAKRTKTDLYRSQKRGGKGVQGAGLKQDDIVAHFFVCSTHDLILFFTTQGRVYRAKAYDLPEASRTARGQHVANLLAFQPEERIAQVIQIRGYTDAPYLVLATRNGLVKKSKLTDFDSNRSGGIVAVNLRDNDELVGAVLCSAGDDLLLVSANGQSIRFSATDEALRPMGRATSGVQGMRFNIDDRLLSLNVVREGTYLLVATSGGYAKRTAIEEYPVQGRGGKGVLTVMYDRRRGRLVGALIVDDDSELYAVTSGGGVIRTAARQVRKAGRQTKGVRLMNLGEGDTLLAIARNAEESGDDNAVDANGADQTGN
Protein #2 678 residues (28% resolved)

GAMVAAQKKKAQDEYGAASITILEGLEAVRKRPGMYIGSTGERGLHHLIWEVVDNAVDEAMAGYATTVNVVLLEDGGVEVADDGRGIPVATHASGIPTVDVVMTQLHAGGKFDSDAYAISGGLHGVGVSVVNALSTRLEVEIKRDGYEWSQVYEKSEPLGLKQGAPTKKTGSTVRFWADPAVFETTEYDFETVARRLQEMAFLNKGLTINLTDERVTQDEVVDEVVSDVAEAPKSASERAAESTAPHKVKSRTFHYPGGLVDFVKHINRTKNAIHSSIVDFSGKGTGHEVEIAMQWNAGYSESVHTFANTINTHEGGTHEEGFRSALTSVVNKYAKDRKLLKDKDPNLTGDDIREGLAAVISVKVSEPQFEGQTKTKLGNTEVKSFVQKVCNEQLTHWFEANPTDAKVVVNKAVSSAQARIAARKARELVRRKSATDIGGLPGKLADCRSTDPRKSELYVVEGDSAGGSAKSGRDSMFQAILPLRGKIINVEKARIDRVLKNTEVQAIITALGTGIHDEFDIGKLRYHKIVLMADADVDGQHISTLLLTLLFRFMRPLIENGHVFLAQPPLYKLKWQRSDPEFAYSDRERDGLLEAGLKAGKKINKEDGIQRYKGLGEMDAKELWETTMDPSVRVLRQVTLDDAAAADELFSILMGEDVDARRSFITRNAKDVRFLDV

GAMVAAQKKKAQDEYGAASITILEGLEAVRKRPGMYIGSTGERGLHHLIWEVVDNAVDEAMAGYATTVNVVLLEDGGVEVADDGRGIPVATHASGIPTVDVVMTQLHAGGKFDSDAYAISGGLHGVGVSVVNALSTRLEVEIKRDGYEWSQVYEKSEPLGLKQGAPTKKTGSTVRFWADPAVFETTEYDFETVARRLQEMAFLNKGLTINLTDERVTQDEVVDEVVSDVAEAPKSASERAAESTAPHKVKSRTFHYPGGLVDFVKHINRTKNAIHSSIVDFSGKGTGHEVEIAMQWNAGYSESVHTFANTINTHEGGTHEEGFRSALTSVVNKYAKDRKLLKDKDPNLTGDDIREGLAAVISVKVSEPQFEGQTKTKLGNTEVKSFVQKVCNEQLTHWFEANPTDAKVVVNKAVSSAQARIAARKARELVRRKSATDIGGLPGKLADCRSTDPRKSELYVVEGDSAGGSAKSGRDSMFQAILPLRGKIINVEKARIDRVLKNTEVQAIITALGTGIHDEFDIGKLRYHKIVLMADADVDGQHISTLLLTLLFRFMRPLIENGHVFLAQPPLYKLKWQRSDPEFAYSDRERDGLLEAGLKAGKKINKEDGIQRYKGLGEMDAKELWETTMDPSVRVLRQVTLDDAAAADELFSILMGEDVDARRSFITRNAKDVRFLDV
DNA #3 150 bases

(DG)(DT)(DA)(DC)(DC)(DG)(DG)(DA)(DC)(DG)(DT)(DT)(DG)(DC)(DG)(DC)(DC)(DC)(DG)(DT)(DA)(DG)(DG)(DG)(DC)(DT)(DA)(DC)(DG)(DG)(DC)(DG)(DG)(DC)(DC)(DT)(DT)(DC)(DG)(DC)(DT)(DC)(DT)(DT)(DC)(DT)(DT)(DA)(DG)(DT)(DA)(DT)(DT)(DA)(DC)(DC)(DC)(DC)(DT)(DT)(DC)(DC)(DG)(DG)(DT)(DA)(DG)(DG)(DT)(DC)(DG)(DG)(DA)(DG)(DC)(DG)(DC)(DA)(DG)(DC)(DG)(DC)(DT)(DT)(DG)(DC)(DG)(DG)(DT)(DC)(DG)(DT)(DT)(DC)(DT)(DG)(DC)(DA)(DT)(DC)(DG)(DG)(DG)(DT)(DC)(DG)(DC)(DG)(DC)(DA)(DG)(DC)(DC)(DG)(DG)(DC)(DG)(DG)(DT)(DA)(DC)(DG)(DG)(DC)(DC)(DG)(DC)(DT)(DA)(DT)(DT)(DA)(DC)(DC)(DG)(DG)(DA)(DC)(DG)(DA)(DA)(DG)(DA)(DG)(DC)(DG)(DG)(DC)(DT)(DT)

GTACCGGACGTTGCGCCCGTAGGGCTACGGCGGCCTTCGCTCTTCTTAGTATTACCCCTTCCGGTAGGTCGGAGCGCAGCGCTTGCGGTCGTTCTGCATCGGGTCGCGCAGCCGGCGGTACGGCCGCTATTACCGGACGAAGAGCGGCTT
DNA #4 150 bases

(DA)(DA)(DG)(DC)(DC)(DG)(DC)(DT)(DC)(DT)(DT)(DC)(DG)(DT)(DC)(DC)(DG)(DG)(DT)(DA)(DA)(DT)(DA)(DG)(DC)(DG)(DG)(DC)(DC)(DG)(DT)(DA)(DC)(DC)(DG)(DC)(DC)(DG)(DG)(DC)(DT)(DG)(DC)(DG)(DC)(DG)(DA)(DC)(DC)(DC)(DG)(DA)(DT)(DG)(DC)(DA)(DG)(DA)(DA)(DC)(DG)(DA)(DC)(DC)(DG)(DC)(DA)(DA)(DG)(DC)(DG)(DC)(DT)(DG)(DC)(DG)(DC)(DT)(DC)(DC)(DG)(DA)(DC)(DC)(DT)(DA)(DC)(DC)(DG)(DG)(DA)(DA)(DG)(DG)(DG)(DG)(DT)(DA)(DA)(DT)(DA)(DC)(DT)(DA)(DA)(DG)(DA)(DA)(DG)(DA)(DG)(DC)(DG)(DA)(DA)(DG)(DG)(DC)(DC)(DG)(DC)(DC)(DG)(DT)(DA)(DG)(DC)(DC)(DC)(DT)(DA)(DC)(DG)(DG)(DG)(DC)(DG)(DC)(DA)(DA)(DC)(DG)(DT)(DC)(DC)(DG)(DG)(DT)(DA)(DC)

AAGCCGCTCTTCGTCCGGTAATAGCGGCCGTACCGCCGGCTGCGCGACCCGATGCAGAACGACCGCAAGCGCTGCGCTCCGACCTACCGGAAGGGGTAATACTAAGAAGAGCGAAGGCCGCCGTAGCCCTACGGGCGCAACGTCCGGTAC
Non polymer #5 JHN

InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1

c1c2c(cnc1CNC3CCN(CC3)C[C@@H]4CN5C(=O)C=CC6=C5N4C(=O)C=N6)OCCC2
Non polymer #6 MG

InChI=1S/Mg/q+2

[Mg+2]
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Reference