2026-04-18_00000120|hard|9NX4

Crystal Structure of a P. Aeruginosa Gyrase Chimera In Complex with 20mer DNA and Ciprofloxacin; X-ray diffraction 2.85Å
Protein #1 942 residues (78% resolved)

GSAAAKGALDIAGLPGKLADCQEKDPALSELYIVEGDSAGGSAKQGRNRRTQAILPLKGKILNVEKARFDKMLSSQEVGTLITALGCGIGREEYNIDKLRYHNIIIMTDADVDGSHIRTLLLTFFFRQMPELIERGYIYIAQPPLYKVKRGKQEQYIKDDQAMEEYMTQSALEDASLHVNEHAPGLSGAALEKLVNEYRGVIATLKRLSRLYPQELTEHFIYLPTVSVDDLANESAMQGWLEKFQARLTAAEKSGLTYKASLREDRERHLWLPEVELVAHGLSSYVTFNRDFFASNDYRSVSLLGDQLNSLLEDGAYVQKGERKRPISAFKDGLDWLMAEGTKRHSIQRYKGLGEMNPEQLWETTMDPNVRRMLKVTIEDAIAADQIFNTLMGDAVEPRRDFIESNALAVSNLDVGGSGELAKEILPVNIEDELKQSYLDYAMSVIVGRALPDARDGLKPVHRRVLYAMSELGNDWNKPYKKSARVVGDVIGKYHPHGDTAVYDTIVRMAQPFSLRYMLVDGQGNFGSVDGDNAAAMRYTEVRMAKLAHELLADLEKETVDWVPNYDGTEQIPAVMPTKIPNLLVNGSSGIAVGMATNIPPHNLGEVIDGCLALMDNPDLTVDELMQYIPGPDFPTAGIINGRAGIIEAYRTGRGRIYIRARAVVEEMEKGGGREQIIITELPYQLNKARLIEKIAELVKEKKIEGISELRDESDKDGMRVVIELRRGEVGEVVLNNLYAQTQLQSVFGINVVALVDGQPRTLNLKDMLEVFVRHRREVVTRRTVYELRKARERGHILEGQAVALSNIDPVIELIKSSPTPAEAKERLIATAWESSAVEAMVERAGADACRPEDLDPQYGLRDGKYYLSPEQAQAILELRLHRLTGLEHEKLLSEYQEILNLIGELIRILTNPARLMEVIREELEAVKAEFGDARRTEIVAS

GSAAAKGALDIAGLPGKLADCQEKDPALSELYIVEGDSAGGSAKQGRNRRTQAILPLKGKILNVEKARFDKMLSSQEVGTLITALGCGIGREEYNIDKLRYHNIIIMTDADVDGSHIRTLLLTFFFRQMPELIERGYIYIAQPPLYKVKRGKQEQYIKDDQAMEEYMTQSALEDASLHVNEHAPGLSGAALEKLVNEYRGVIATLKRLSRLYPQELTEHFIYLPTVSVDDLANESAMQGWLEKFQARLTAAEKSGLTYKASLREDRERHLWLPEVELVAHGLSSYVTFNRDFFASNDYRSVSLLGDQLNSLLEDGAYVQKGERKRPISAFKDGLDWLMAEGTKRHSIQRYKGLGEMNPEQLWETTMDPNVRRMLKVTIEDAIAADQIFNTLMGDAVEPRRDFIESNALAVSNLDVGGSGELAKEILPVNIEDELKQSYLDYAMSVIVGRALPDARDGLKPVHRRVLYAMSELGNDWNKPYKKSARVVGDVIGKYHPHGDTAVYDTIVRMAQPFSLRYMLVDGQGNFGSVDGDNAAAMRYTEVRMAKLAHELLADLEKETVDWVPNYDGTEQIPAVMPTKIPNLLVNGSSGIAVGMATNIPPHNLGEVIDGCLALMDNPDLTVDELMQYIPGPDFPTAGIINGRAGIIEAYRTGRGRIYIRARAVVEEMEKGGGREQIIITELPYQLNKARLIEKIAELVKEKKIEGISELRDESDKDGMRVVIELRRGEVGEVVLNNLYAQTQLQSVFGINVVALVDGQPRTLNLKDMLEVFVRHRREVVTRRTVYELRKARERGHILEGQAVALSNIDPVIELIKSSPTPAEAKERLIATAWESSAVEAMVERAGADACRPEDLDPQYGLRDGKYYLSPEQAQAILELRLHRLTGLEHEKLLSEYQEILNLIGELIRILTNPARLMEVIREELEAVKAEFGDARRTEIVAS
DNA #2 20 bases

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

AGCCGTAGGGCCCTACGGCT
Non polymer #3 CIT

InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Non polymer #4 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #5 CPF

InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)

c1c2c(cc(c1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4CC4
Non polymer #6 MN

InChI=1S/Mn/q+2

[Mn+2]
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Reference