6qx1_ABCD : 3D-footprint complex

structure name	2.7A STRUCTURE OF BENZOISOXAZOLE 3 WITH S.AUREUS DNA GYRASE AND DNA.
reference	Bioorg.Med.Chem.Lett. 29 1407 2019 synthetic construct
source	STAPHYLOCOCCUS AUREUS
experiment	X-ray (resolution=2.65, R-factor=?)
structural superfamily	Type II DNA topoisomerase;
reference complex	5iwi_C 5iwi_D
links to other resources	NAKB PDIdb DNAproDB
protein sequence	> 6qx1_A interface=17,25,77,80,167, inernitsemresfldYamsvivaRalpdvrdglkpvhrrilyglneqgmtpdksykksarivgdvmgkyhphgdsSiyEamvrmaqdfsyryplvdgqgnfgsmdgdgaaamrytearmtkitlellrdinkdtidfidnydgnerepsvlparfpnllangasgIavgmatnipphnltelingvlslsknpdisiaelmediegpdfptaglilgksgirrayetgrgsiqmrsravieergggrqrivvteipfqvnkarmiekiaelvrdkkidgitdlrdetslrtgvrvvidvrkdanasvilnnlykqtplqtsfgvnmialvngrpklinlkealvhylehqktvvrrrtqynlrkakdrahileglrialdhideiistiresdtdkvameslqqrfklsekqaqaildmrlrrltglerdkieaeynellnyiseletiladeevllqlvrdelteirdrfgddrrteiqlg > 6qx1_B interface=42,44, kladcsskspeeceiflvegdsaggstksgrdsrtqailplRgKilnvekarldrilnnneirqmitafgtgiggdfdlakaryhkivimtdadvdgahirtllltffyrfmrplieagyvyiaqpptgykglgemnadqlwettmnpehrallqvkledaieadqtfemlmgdvvenrrqfiednavy > 6qx1_C interface=16,76,166, nernitsemresfldYamsvivaralpdvrdglkpvhrrilyglneqgmtpdksykksarivgdvmgkyhphgdsSiyeamvrmaqdfsyryplvdgqgnfgsmdgdgaaamrytearmtkitlellrdinkdtidfidnydgnerepsvlparfpnllangasgIavgmatnipphnltelingvlslsknpdisiaelmediegpdfptaglilgksgirrayetgrgsiqmrsravieergggrqrivvteipfqvnkarmiekiaelvrdkkidgitdlrdetslrtgvrvvidvrkdanasvilnnlykqtplqtsfgvnmialvngrpklinlkealvhylehqktvvrrrtqynlrkakdrahileglrialdhideiistiresdtdkvameslqqrfklsekqaqaildmrlrrltglerdkieaeynellnyiseletiladeevllqlvrdelteirdrfgddrrteiql > 6qx1_D interface=44, kladcsskspeeceiflvegdsaggstksgrdsrtqailplrgKilnvekarldrilnnneirqmitafgtgiggdfdlakaryhkivimtdadvdgahirtllltffyrfmrplieagyvyiaqpptgykglgemnadqlwettmnpehrallqvkledaieadqtfemlmgdvvenrrqfiednavy
interface signature	YRSEI/RK/YSI/K

Estimated binding specificities ?

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# IC=8.685 IC/col=0.620 n_of_columns=14

specificity:

A |   0   0  13  54   0  24  24  24  24   8   6  24   0   0
C |  96   0  16  16   0  24  24  24  24  82   9  24  96   0
G |   0  96   6  13  96  24  24  24  24   6   6  24   0  96
T |   0   0  61  13   0  24  24  24  24   0  75  24   0   0

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updated Tue Sep 10 19:15:46 2024