2026-09-12_00000086|hard|32TO

T. cruzi topoisomerase II alpha bound to dsDNA and the covalent inhibitor IID432; Electron microscopy 2.77Å
Protein #1 779 residues (89% resolved)

GRNADRKQILGIPKLDDANEAGGKYSHRCTLILTEGDSAKALCTAGLAVKDRDYFGVFPLRGKPLNVRDATLKKVMACAEFQAVSKIMGLDIRQKYSGVERLRYGHLMIMSDQDHDGSHIKGLIINMIHHYWPDLIKTPGFLQQFITPIVKARKKGRSDGDDRAISFFSMPDYFEWKNAIGDGIRNYEIRYYKGLGTSGAKEGREYFENIDRHRLDFVHEDATDDARIVMAFAKDKVEERKHWITQFKANTNVNESMNYNVRTVRYSEFVDKELILFSVADCERSIPSVIDGLKPGQRKIIFSSFKRRLTRSIKVVQLAGYVSEHAAYHHGEQSLVQTIVGLAQNFVGSNNVPLLQQDGQFGTRLQGGKDHAAGRYIFTRLTNIARYIYHPSDDFVVDYKDDDGLSVEPFYYVPVIPMVLVNGTSGIGTGFATNIPNYSPLEVIDNLMRLLRGEEVQPMKPWYFGFAGTIEEKEKGKFVSTGCANVRPDGVVQITELPIGTWTQGYKKFLEELREKEVVVQYREHNTDVTVDFEVFLHPEVLHHWVAQGCVEERLQLREYIHATNIIAFDREGQITKYRDAEAVLKEFYLVRLEYYAKRRDFLIGDLRSVASKLENMVRFVTEVVDGRLIVTRRRKKELLEELRQRGYAPFPLQQKKKVSSTTIQQGEEEGAADATHATAEDVFLVLQPAVDEGGDEDNQETPEMRRAARDYDYLLGMRLWNLTAEMIARLQSQLQKARDELAALEKRTPKDLWAEDLNQLRPRIENLFEERAKEIASI

GRNADRKQILGIPKLDDANEAGGKYSHRCTLILTEGDSAKALCTAGLAVKDRDYFGVFPLRGKPLNVRDATLKKVMACAEFQAVSKIMGLDIRQKYSGVERLRYGHLMIMSDQDHDGSHIKGLIINMIHHYWPDLIKTPGFLQQFITPIVKARKKGRSDGDDRAISFFSMPDYFEWKNAIGDGIRNYEIRYYKGLGTSGAKEGREYFENIDRHRLDFVHEDATDDARIVMAFAKDKVEERKHWITQFKANTNVNESMNYNVRTVRYSEFVDKELILFSVADCERSIPSVIDGLKPGQRKIIFSSFKRRLTRSIKVVQLAGYVSEHAAYHHGEQSLVQTIVGLAQNFVGSNNVPLLQQDGQFGTRLQGGKDHAAGRYIFTRLTNIARYIYHPSDDFVVDYKDDDGLSVEPFYYVPVIPMVLVNGTSGIGTGFATNIPNYSPLEVIDNLMRLLRGEEVQPMKPWYFGFAGTIEEKEKGKFVSTGCANVRPDGVVQITELPIGTWTQGYKKFLEELREKEVVVQYREHNTDVTVDFEVFLHPEVLHHWVAQGCVEERLQLREYIHATNIIAFDREGQITKYRDAEAVLKEFYLVRLEYYAKRRDFLIGDLRSVASKLENMVRFVTEVVDGRLIVTRRRKKELLEELRQRGYAPFPLQQKKKVSSTTIQQGEEEGAADATHATAEDVFLVLQPAVDEGGDEDNQETPEMRRAARDYDYLLGMRLWNLTAEMIARLQSQLQKARDELAALEKRTPKDLWAEDLNQLRPRIENLFEERAKEIASI
DNA #2 16 bases

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

AGCTCATTGTTATCCC
DNA #3 12 bases

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

GGGATAACAATG
Non polymer #4 A1KFP

InChI=1S/C19H19N7O/c1-13-2-3-14-8-16(4-5-17(14)22-13)25-7-6-15(10-25)23-19(27)11-26-12-21-18(9-20)24-26/h2-5,8,12,15H,6-7,10-11H2,1H3,(H,23,27)/t15-/m0/s1

Cc1ccc2cc(ccc2n1)N3CC[C@@H](C3)NC(=O)Cn4cnc(n4)C#N
Non polymer #5 MG

InChI=1S/Mg/q+2

[Mg+2]
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Reference