5iwm_ABCD : 3D-footprint complex

structure name	2.5A STRUCTURE OF GSK945237 WITH S.AUREUS DNA GYRASE AND DNA.
reference	Miles et al. Bioorg.Med.Chem.Lett. 26 2464 2016
source	STAPHYLOCOCCUS AUREUS
experiment	X-ray (resolution=2.50, R-factor=?)
structural superfamily	Type II DNA topoisomerase;
reference complex	5iwi_C 5iwi_D
links to other resources	NAKB PDIdb DNAproDB
protein sequence	> 5iwm_A interface=17,25,77,167, inernitsemresfldYamsvivaRalpdvrdglkpvhrrilyglneqgmtpdksykksarivgdvmgkyhphgdsSiyeamvrmaqdfsyryplvdgqgnfgsmdgdgaaamrftearmtkitlellrdinkdtidfidnydgnerepsvlparfpnllangasgIavgmatnipphnltelingvlslsknpdisiaelmediegpdfptaglilgksgirrayetgrgsiqmrsravieergggrqrivvteipfqvnkarmiekiaelvrdkkidgitdlrdetslrtgvrvvidvrkdanasvilnnlykqtplqtsfgvnmialvngrpklinlkealvhylehqktvvrrrtqynlrkakdrahileglrialdhideiistiresdtdkvameslqqrfklsekqaqaildmrlrrltglerdkieaeynellnyiseletiladeevllqlvrdelteirdrfgddrrteiqlg > 5iwm_B interface=44, kladcsskspeeceiflvegdsaggstksgrdsrtqailplrgKilnvekarldrilnnneirqmitafgtgiggdfdlakaryhkivimtdadvdgahirtllltffyrfmrplieagyvyiaqpptgykglgemnadqlwettmnpehrallqvkledaieadqtfemlmgdvvenrrqfiednavy > 5iwm_C interface=16,76,166,171, nernitsemresfldYamsvivaralpdvrdglkpvhrrilyglneqgmtpdksykksarivgdvmgkyhphgdsSiyeamvrmaqdfsyryplvdgqgnfgsmdgdgaaamrftearmtkitlellrdinkdtidfidnydgnerepsvlparfpnllangasgIavgmAtnipphnltelingvlslsknpdisiaelmediegpdfptaglilgksgirrayetgrgsiqmrsravieergggrqrivvteipfqvnkarmiekiaelvrdkkidgitdlrdetslrtgvrvvidvrkdanasvilnnlykqtplqtsfgvnmialvngrpklinlkealvhylehqktvvrrrtqynlrkakdrahileglrialdhideiistiresdtdkvameslqqrfklsekqaqaildmrlrrltglerdkieaeynellnyiseletiladeevllqlvrdelteirdrfgddrrteiql > 5iwm_D interface=44, kladcsskspeeceiflvegdsaggstksgrdsrtqailplrgKilnvekarldrilnnneirqmitafgtgiggdfdlakaryhkivimtdadvdgahirtllltffyrfmrplieagyvyiaqpptgykglgemnadqlwettmnpehrallqvkledaieadqtfemlmgdvvenrrqfiednavy
interface signature	YRSI/K/YSIA/K

Estimated binding specificities ?

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# IC=7.580 IC/col=0.541 n_of_columns=14

specificity:

A |   0   0  24  73   9  24  24  24  24  73   7  24   0   0
C |  96   0  24   7   7  24  24  24  24   9  73  24   0  96
G |   0  96  24   9  73  24  24  24  24   7   9  24  96   0
T |   0   0  24   7   7  24  24  24  24   7   7  24   0   0

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updated Tue Sep 10 05:02:36 2024