6waa_FH : 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_F interface=45,244,252,303,304,307,394,548, gkladctaqdlnrtelflvegdsaggsakqardreyqaimplkgKilntwevssdevlasqevhdisvaigidpdsddlsqlrygkiciladadsdglhiatllcalfvrhfrtlvkeghvyvalpplyridlgkevyyalteeektgvleqlkrkkgkpnvqrfkglgemnpmqlrettldpntrrlvqlvisdedeqqttaimdmllakkrsedrrnwlqekgdmaerlalheftenaylnYsmyvimdRalpfigdglkpvqrrivyamselglnasakfkksartvgdvlgkyhphgdSAcyEamvlmaqpfsyryplvdgqgnwgapddpksfaamrtesrlskyaelllselgqgtvdwvpnfdgtlqepkmlparlpnillngttgIavgmatdipphnlrevakaaitlieqpkttldelldivqgpdfpteaeiitsraeirkiyqngrgsvrmravwskedgavvitalphqvsgakvleqiaaqmrnkklpmvddlrdesdhenptrlvivprsnrvdmeqvmnhlfattdleksyRinlnmigldgrpavknlleilsewlvfrrdtvrrrlnhrlekvlkrlhilegllvaflnidevieiirtedepkpalmsrfgisetqaeailelklrhlakleemkirgeqselekerdqlqailaserkmnnllkkelqadadafgddrrsplhere > 6waa_H interface=49,187,278,279,282,317,369,500, palpgkladctaqdlnrtelflvegdsaggsakqardreyqaimplkgKilntwevssdevlasqevhdisvaigidpdsddlsqlrygkiciladadsdglhiatllcalfvrhfrtlvkeghvyvalpplyriyyalrfkglgemnpmqlrettldpntrrlvqlvisdedeqqttaimdmllaKkrsedrrnwlqekgdmerlalheftenaylnysmyvimdralpfigdglkpvqrrivyamselglnasakfkksartvgdvlgkyhphgdSAcyEamvlmaqpfsyryplvdgqgnwgapddpksfaamRtesrlskyaelllselgqgtvdwvpnfdgtlqepkmlparlpnillngttgIavgmatdipphnlrevakaaitlieqpkttldelldivqgpdfpteaeiitsraeirkiyqngrgsvrmravwvitalphqvsgakvleqiaaqmrnkklpmvsdhenptrlmeqvmnhlfattdleksyRinlnmigldgrpavknlleilsewlvfrrdtvrrrlnhrlekvlkrlhilegllvaflnidevieiirtedepkpalmsrfgisetqaeailelklrhlakleemkirgeqselekerdqlqailaserkmnnllkkelqadadafgddrrsplh
interface signature	KYRSAEIR/KKSAERIR

Estimated binding specificities ?

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# IC=13.604 IC/col=0.850 n_of_columns=16

specificity:

A |   0   0   3  92  11   3  24  24  24  88   0  84   0  96  96   6
C |   0   0   6   0   5  15  24  24  24   0   0   3  96   0   0  84
G |   0  96   3   3  15  65  24  24  24   5   0   3   0   0   0   3
T |  96   0  84   1  65  13  24  24  24   3  96   6   0   0   0   3

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updated Sat Dec 16 20:27:59 2023