6waa_BD : 3D-footprint complex

structure name	K. PNEUMONIAE TOPOISOMERASE IV (PARE-PARC) IN COMPLEX WITH DNA AND COMPOUND 34 (7-[(1S,5R)-1-AMINO-3-AZABICYCLO[3.1.0]HEXAN-3-YL]-4- (AMINOMETHYL)-1-CYCLOPROPYL-3,6-DIFLUORO-8-METHYLQUINOLIN-2(1H)-ONE)
reference	Bellamacina et al. J.Med.Chem. 63 7773 2020
source	KLEBSIELLA PNEUMONIAE 342
experiment	X-ray (resolution=3.20, R-factor=?)
structural superfamily	Type II DNA topoisomerase;
reference complex	6waa_D
links to other resources	NAKB PDIdb DNAproDB
protein sequence	> 6waa_B interface=45,250,301,302,305,392,546, gkladctaqdlnrtelflvegdsaggsakqardreyqaimplkgKilntwevssdevlasqevhdisvaigidpdsddlsqlrygkiciladadsdglhiatllcalfvrhfrtlvkeghvyvalpplyridlgkevyyalteeektgvleqlkrkkgkpnvqrfkglgemnpmqlrettldpntrrlvqlvisdedeqqttaimdmllakkrsedrrnwlqekgaerlalheftenaylnysmyvimdRalpfigdglkpvqrrivyamselglnasakfkksartvgdvlgkyhphgdSAcyEamvlmaqpfsyryplvdgqgnwgapddpksfaamrtesrlskyaelllselgqgtvdwvpnfdgtlqepkmlparlpnillngttgIavgmatdipphnlrevakaaitlieqpkttldelldivqgpdfpteaeiitsraeirkiyqngrgsvrmravwskedgavvitalphqvsgakvleqiaaqmrnkklpmvddlrdesdhenptrlvivprsnrvdmeqvmnhlfattdleksyRinlnmigldgrpavknlleilsewlvfrrdtvrrrlnhrlekvlkrlhilegllvaflnidevieiirtedepkpalmsrfgisetqaeailelklrhlakleemkirgeqselekerdqlqailaserkmnnllkkelqadadafgddrrsplh > 6waa_D interface=47,182,211,270,271,361,481, lpgkladctaqdlnrtelflvegdsaggsakqardreyqaimplkgKilntwevssdevlasqevhdisvaigidpdsdygkiciladadsdglhiatllcalfvrhfrtlvkeghvyvalpplyalteeektgvrfkglgemnpmqlrettldpntrrlvqlisdedeqqttaimdmllaKkrsedrrnwlqekgrlalheftenaylnYsmyvimdralpfigdglkpvqrrivyamselglnasakfkksartvgdvlgkyhphgdSAcyeamvlmaqpfsyryplvdgqgnwgapddpksfaamrtesrlskyaelllselgqgtvdwvpnfdgtlqepkmlparlpnillngttgIavgmatdipphnlrevakaaitlieqpkttldelldivqgpdfpteaeiitsraeirkiyqngrgsvrmravalphqvsgakvleqiaaqmrnkklpmvddmeqvmnhlfattdleksyRinlnmigldgrpavknlleilsewlvfrrdtvrrrlnhrlekvlkrlhilegllvaflnidevieiirtedepkpalmsrfgisetqaeailelklrhlakleemkirgeqselekerdqlqailaserkmnnllkkelqadadafgddrrsplh
interface signature	KRSAEIR/KKYSAIR

Estimated binding specificities ?

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# IC=12.349 IC/col=0.772 n_of_columns=16

specificity:

A |   5   0   0  20  91   4  24  24  24  24  79   0  79   0  96  91
C |   0   0   0  16   5  16  24  24  24  24   8   0   4  96   0   4
G |   0   0  96  19   0   1  24  24  24  24   4   0   0   0   0   0
T |  91  96   0  41   0  75  24  24  24  24   5  96  13   0   0   1

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updated Sat Dec 16 20:27:08 2023