4bul_AC : 3D-footprint complex

structure name	NOVEL HYDROXYL TRICYCLICS (E.G. GSK966587) AS POTENT INHIBITORS OF BACTERIAL TYPE IIA TOPOISOMERASES
reference	Rittenhouse et al.
source	STAPHYLOCOCCUS AUREUS
experiment	X-ray (resolution=2.60, R-factor=?)
structural superfamily	Type II DNA topoisomerase;
reference complex	5npk_d
links to other resources	NAKB PDIdb DNAproDB
protein sequence	> 4bul_A interface=42,44,208,268,358, kladcsskspeeceiflvegdsaggstksgrdsrtqailplRgKilnvekarldrilnnneirqmitafgtgiggdfdlakaryhkivimtdadvdgahirtllltffyrfmrplieagyvyiaqpptgykglgemnadqlwettmnpehrallqvkledaieadqtfemlmgdvvenrrqfiednavyarinernitsemresfldYamsvivaralpdvrdglkpvhrrilyglneqgmtpdksykksarivgdvmgkyhphgdsSiyeamvrmaqdfsyryplvdgqgnfgsmdgdgaaamrftearmtkitlellrdinkdtidfidnydgnerepsvlparfpnllangasgIavgmatnipphnltelingvlslsknpdisiaelmediegpdfptaglilgksgirrayetgrgsiqmrsravieergggrqrivvteipfqvnkarmiekiaelvrdkkidgitdlrdetslrtgvrvvidvrkdanasvilnnlykqtplqtsfgvnmialvngrpklinlkealvhylehqktvvrrrtqynlrkakdrahileglrialdhideiistiresdtdkvameslqqrfklsekqaqaildmrlrrltglerdkieaeynellnyiseletiladeevllqlvrdelteirdrfgddrrteiqlg > 4bul_C interface=45,206,265,266,273,303,356, gkladcsskspeeceiflvegdsaggstksgrdsrtqailplrgKilnvekarldrilnnneirqmitafgtgiggdfdlakaryhkivimtdadvdgahirtllltffyrfmrplieagyvyiaqpptgykglgemnadqlwettmnpehrallqvkledaieadqtfemlmgdvvenrrqfiednavynernitsemresfldYamsvivaralpdvrdglkpvhrrilyglneqgmtpdksykksarivgdvmgkyhphgdSSiyeamvRmaqdfsyryplvdgqgnfgsmdgdgaaamRftearmtkitlellrdinkdtidfidnydgnerepsvlparfpnllangasgIavgmatnipphnltelingvlslsknpdisiaelmediegpdfptaglilgksgirrayetgrgsiqmrsravieergggrqrivvteipfqvnkarmiekiaelvrdkkidgitdlrdetslrtgvrvvidvrkdanasvilnnlykqtplqtsfgvnmialvngrpklinlkealvhylehqktvvrrrtqynlrkakdrahileglrialdhideiistiresdtdkvameslqqrfklsekqaqaildmrlrrltglerdkieaeynellnyiseletiladeevllqlvrdelteirdrfgddrrteiql
interface signature	RKYSI/KYSSRRI

Estimated binding specificities ?

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# IC=8.477 IC/col=0.605 n_of_columns=14

specificity:

A |   0   0  24  85  10  24  24  58  24  76   6  24   0   0
C |  96   0  24   0   5  24  24  17  24   5  80  24   0  96
G |   0  96  24   6  71  24  24  16  24  10   5  24  96   0
T |   0   0  24   5  10  24  24   5  24   5   5  24   0   0

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updated Mon Sep 9 21:36:04 2024