2024-09-07_00000351|ligand|9GGQ

E.coli gyrase holocomplex with cleaved chirally wrapped 217 bp DNA fragment and moxifloxacin; Electron microscopy 2.60Å
Protein #1 881 residues (95% resolved)

SSDLAREITPVNIEEELKSSYLDYAMSVIVGRALPDVRDGLKPVHRRVLYAMNVLGNDWNKAYKKSARVVGDVIGKYHPHGDSAVYDTIVRMAQPFSLRYMLVDGQGNFGSIDGDSAAAMR(PTR)TEIRLAKIAHELMADLEKETVDFVDNYDGTEKIPDVMPTKIPNLLVNGSSGIAVGMATNIPPHNLTEVINGCLAYIDDEDISIEGLMEHIPGPDFPTAAIINGRRGIEEAYRTGRGKVYIRARAEVEVDAKTGRETIIVHEIPYQVNKARLIEKIAELVKEKRVEGISALRDESDKDGMRIVIEVKRDAVGEVVLNNLYSQTQLQVSFGINMVALHHGQPKIMNLKDIIAAFVRHRREVVTRRTIFELRKARDRAHILEALAVALANIDPIIELIRHAPTPAEAKTALVANPWQLGNVAAMLERAGDDAARPEWLEPEFGVRDGLYYLTEQQAQAILDLRLQKLTGLEHEKLLDEYKELLDQIAELLRILGSADRLMEVIREELELVREQFGDKRRTEITANSADINLEDLITQEDVVVTLSHQGYVKYQPLSEYEAQRRGGKGKSAARIKEEDFIDRLLVANTHDHILCFSSRGRVYSMKVYQLPEATRGARGRPIVNLLPLEQDERITAILPVTEFEEGVKVFMATANGTVKKTVLTEFNRLRTAGKVAIKLVDGDELIGVDLTSGEDEVMLFSAEGKVVRFKESSVRAMGCNTTGVRGIRLGEGDKVVSLIVPRGDGAILTATQNGYGKRTAVAEYPTKSRATKGVISIKVTERNGLVVGAVQVDDCDQIMMITDAGTLVRTRVSEISIVGRNTQGVILIRTAEDENVVGLQRVAEPVDEEDLDTIDGSAAEGDDEIAPEVDVDDEPEEELEVLFQ

SSDLAREITPVNIEEELKSSYLDYAMSVIVGRALPDVRDGLKPVHRRVLYAMNVLGNDWNKAYKKSARVVGDVIGKYHPHGDSAVYDTIVRMAQPFSLRYMLVDGQGNFGSIDGDSAAAMRYTEIRLAKIAHELMADLEKETVDFVDNYDGTEKIPDVMPTKIPNLLVNGSSGIAVGMATNIPPHNLTEVINGCLAYIDDEDISIEGLMEHIPGPDFPTAAIINGRRGIEEAYRTGRGKVYIRARAEVEVDAKTGRETIIVHEIPYQVNKARLIEKIAELVKEKRVEGISALRDESDKDGMRIVIEVKRDAVGEVVLNNLYSQTQLQVSFGINMVALHHGQPKIMNLKDIIAAFVRHRREVVTRRTIFELRKARDRAHILEALAVALANIDPIIELIRHAPTPAEAKTALVANPWQLGNVAAMLERAGDDAARPEWLEPEFGVRDGLYYLTEQQAQAILDLRLQKLTGLEHEKLLDEYKELLDQIAELLRILGSADRLMEVIREELELVREQFGDKRRTEITANSADINLEDLITQEDVVVTLSHQGYVKYQPLSEYEAQRRGGKGKSAARIKEEDFIDRLLVANTHDHILCFSSRGRVYSMKVYQLPEATRGARGRPIVNLLPLEQDERITAILPVTEFEEGVKVFMATANGTVKKTVLTEFNRLRTAGKVAIKLVDGDELIGVDLTSGEDEVMLFSAEGKVVRFKESSVRAMGCNTTGVRGIRLGEGDKVVSLIVPRGDGAILTATQNGYGKRTAVAEYPTKSRATKGVISIKVTERNGLVVGAVQVDDCDQIMMITDAGTLVRTRVSEISIVGRNTQGVILIRTAEDENVVGLQRVAEPVDEEDLDTIDGSAAEGDDEIAPEVDVDDEPEEELEVLFQ
Protein #2 811 residues (96% resolved)

GPSNSYDSSSIKVLKGLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCKEIIVTIHADNSVSVQDDGRGIPTGIHPEEGVSAAEVIMTVLHAGGKFDDNSYKVSGGLHGVGVSVVNALSQKLELVIQREGKIHRQIYEHGVPQAPLAVTGETEKTGTMVRFWPSLETFTNVTEFEYEILAKRLRELSFLNSGVSIRLRDKRDGKEDHFHYEGGIKAFVEYLNKNKTPIHPNIFYFSTEKDGIGVEVALQWNDGFQENIYCFTNNIPQRDGGTHLAGFRAAMTRTLNAYMDKEGYSKKAKVSATGDDAREGLIAVVSVKVPDPKFSSQTKDKLVSSEVKSAVEQQMNELLAEYLLENPTDAKIVVGKIIDAARAREAARRAREMTRRKGALDLAGLPGKLADCQERDPALSELYLVEGDSAGGSAKQGRNRKNQAILPLKGKILNVEKARFDKMLSSQEVATLITALGCGIGRDEYNPDKLRYHSIIIMTDADVDGSHIRTLLLTFFYRQMPEIVERGHVYIAQPPLYKVKKGKQEQYIKDDEAMDQYQISIALDGATLHTNASAPALAGEALEKLVSEYNATQKMINRMERRYPKAMLKELIYQPTLTEADLSDEQTVTRWVNALVSELNDKEQHGSQWKFDVHTNAEQNLFEPIVRVRTHGVDTDYPLDHEFITGGEYRRICTLGEKLRGLLEEDAFIERGERRQPVASFEQALDWLVKESRRGLSIQRYKGLGEMNPEQLWETTMDPESRRMLRVTVKDAIAADQLFTTLMGDAVEPRRAFIEENALKAANIDIENLYFQ

GPSNSYDSSSIKVLKGLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCKEIIVTIHADNSVSVQDDGRGIPTGIHPEEGVSAAEVIMTVLHAGGKFDDNSYKVSGGLHGVGVSVVNALSQKLELVIQREGKIHRQIYEHGVPQAPLAVTGETEKTGTMVRFWPSLETFTNVTEFEYEILAKRLRELSFLNSGVSIRLRDKRDGKEDHFHYEGGIKAFVEYLNKNKTPIHPNIFYFSTEKDGIGVEVALQWNDGFQENIYCFTNNIPQRDGGTHLAGFRAAMTRTLNAYMDKEGYSKKAKVSATGDDAREGLIAVVSVKVPDPKFSSQTKDKLVSSEVKSAVEQQMNELLAEYLLENPTDAKIVVGKIIDAARAREAARRAREMTRRKGALDLAGLPGKLADCQERDPALSELYLVEGDSAGGSAKQGRNRKNQAILPLKGKILNVEKARFDKMLSSQEVATLITALGCGIGRDEYNPDKLRYHSIIIMTDADVDGSHIRTLLLTFFYRQMPEIVERGHVYIAQPPLYKVKKGKQEQYIKDDEAMDQYQISIALDGATLHTNASAPALAGEALEKLVSEYNATQKMINRMERRYPKAMLKELIYQPTLTEADLSDEQTVTRWVNALVSELNDKEQHGSQWKFDVHTNAEQNLFEPIVRVRTHGVDTDYPLDHEFITGGEYRRICTLGEKLRGLLEEDAFIERGERRQPVASFEQALDWLVKESRRGLSIQRYKGLGEMNPEQLWETTMDPESRRMLRVTVKDAIAADQLFTTLMGDAVEPRRAFIEENALKAANIDIENLYFQ
DNA #3 214 bases

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

TTCCTGCGCGTCCTTATATGGGGCTGGATAAGACCGGGGAACAGGAAATTTTTGATGCCATCAGAAAACGCGTCAGCGCCGCTCTGAGGCAATAAACAGAATCAGGCATAAAATCACCCGCACAGATTTTTTAAAACGCGCCACGGGATTTTTAAACCGGTATTTAACGGTGTATGAATCCCGTTTTATCTTCCTTTCACTTTCTTTCTCCAGT
DNA #4 214 bases

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

ACTGGAGAAAGAAAGTGAAAGGAAGATAAAACGGGATTCATACACCGTTAAATACCGGTTTAAAAATCCCGTGGCGCGTTTTAAAAAATCTGTGCGGGTGATTTTATGCCTGATTCTGTTTATTGCCTCAGAGCGGCGCTGACGCGTTTTCTGATGGCATCAAAAATTTCCTGTTCCCCGGTCTTATCCAGCCCCATATAAGGACGCGCAGGAA
Non polymer #5 MFX

InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1

COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
Non polymer #6 MG

InChI=1S/Mg/q+2

[Mg+2]
Download coordinates
Reference