Study : B2UM73_AKKM8 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: EDO_A_16(3CSV) / Model_22(3CSV/A) = [3.2] Download650.5630.38MKELSRLVHRSFHIIPRQEDFRPLALGASGRTIVRIHFGGRTCIGIQWGNDRADNDSFIPAARHLHAHGVNVPEIYDYEPLGPGCGAALVEDLGDANLLAFRKEPWPSLRLRYIRAMEQLHLLHSCPFPEEFPLQPAFDEALYRWEQSYFAEHFLGSHLGLETASFLNHPALKEQAQFLAALPECPVHRDSQSQNVHIHAGKTWLIDFQGMRGGRPEYDLASLVYDGYARLEPEQADELLREWENISAHSIDHRIFRACALQRIMQMLGAYANIGHNQGKTWYLAQIPAGLGHLRKLLPGSTLAEPLAAMLA
Complex: EDO_A_16(3CSV) / Model_47(3CSV/A) = [3.3] Download332.0517.38MKELSRLVHRSFHIIPRQEDFRPLALGASGRTIVRIHFGGRTCIGIQWGNDRADNDSFIPAARHLHAHGVNVPEIYDYEPLGPGCGAALVEDLGDANLLAFRKEPWPSLRLRYIRAMEQLHLLHSCPFPEEFPLQPAFDEALYRWEQSYFAEHFLGSHLGLETASFLNHPALKEQAQFLAALPECPVHRDSQSQNVHIHAGKTWLIDFQGMRGGRPEYDLASLVYDGYARLEPEQADELLREWENISAHSIDHRIFRACALQRIMQMLGAYANIGHNQGKTWYLAQIPAGLGHLRKLLPGSTLAEPLAAMLA
Complex: AMP_A_3(4R78) / Model_57(4R78/A) = [4.4] Download895.3318.73MKELSRLVHRSFHIIPRQEDFRPLALGASGRTIVRIHFGGRTCIGIQWGNDRADNDSFIPAARHLHAHGVNVPEIYDYEPLGPGCGAALVEDLGDANLLAFRKEPWPSLRLRYIRAMEQLHLLHSCPFPEEFPLQPAFDEALYRWEQSYFAEHFLGSHLGLETASFLNHPALKEQAQFLAALPECPVHRDSQSQNVHIHAGKTWLIDFQGMRGGRPEYDLASLVYDGYARLEPEQADELLREWENISAHSIDHRIFRACALQRIMQMLGAYANIGHNQGKTWYLAQIPAGLGHLRKLLPGSTLAEPLAAMLA
Consensus
[pKd Mean = 3.63]		-625
(s=230)		22
(s=5)		MKELSRLVHRSFHIIPRQEDFRPLALGASGRTIVRIHFGGRTCIGIQWGNDRADNDSFIPAARHLHAHGVNVPEIYDYEPLGPGCGAALVEDLGDANLLAFRKEPWPSLRLRYIRAMEQLHLLHSCPFPEEFPLQPAFDEALYRWEQSYFAEHFLGSHLGLETASFLNHPALKEQAQFLAALPECPVHRDSQSQNVHIHAGKTWLIDFQGMRGGRPEYDLASLVYDGYARLEPEQADELLREWENISAHSIDHRIFRACALQRIMQMLGAYANIGHNQGKTWYLAQIPAGLGHLRKLLPGSTLAEPLAAMLA