Study : bsu31300 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: AMP_A_3(3LFR) / Model_6(3LFR/A) = [4.5] Download788.2114.06MLILQLIAIFVLIGITAVFVAAEFAIVKIRGSKINQLIESGDSRALAAHKIISNLDEYLSACQLGITITALGLGWLGEPTFERFLHPLFTMTGIPEPFNHIVTFVVAFIIVTFLHVVMGELAPKTVSIQKAEAVSLWIAKPLIWFYKITYPFIKALNGSASFLVKLFGFHSVKEHQVVISEEELRLILSESYEKGEINQSEFRYVNKIFEFDNRVAREIMIPRTEIAVISLEQSLEEAIHHIINERYTRYPVIKDDKDHILGIINSKDMFKAYFLGQPIKLNQIMRPVIRVIESIPVQQLLIRMQKERIHMAILVDEYGGTAGLVTVEDIIEEIVGEIRDEYDQDETPHILKKGEHHYVMDGKALIDEVNDLLDIAIENEEIDTIAGWLLTQKMELKAGDVIHAEGCEFKILDAEDHHIRFVEIKKTDF
Complex: AMP_A_5(3NQR) / Model_4(3NQR/A) = [5.4] Download709.3913.67MLILQLIAIFVLIGITAVFVAAEFAIVKIRGSKINQLIESGDSRALAAHKIISNLDEYLSACQLGITITALGLGWLGEPTFERFLHPLFTMTGIPEPFNHIVTFVVAFIIVTFLHVVMGELAPKTVSIQKAEAVSLWIAKPLIWFYKITYPFIKALNGSASFLVKLFGFHSVKEHQVVISEEELRLILSESYEKGEINQSEFRYVNKIFEFDNRVAREIMIPRTEIAVISLEQSLEEAIHHIINERYTRYPVIKDDKDHILGIINSKDMFKAYFLGQPIKLNQIMRPVIRVIESIPVQQLLIRMQKERIHMAILVDEYGGTAGLVTVEDIIEEIVGEIRDEYDQDETPHILKKGEHHYVMDGKALIDEVNDLLDIAIENEEIDTIAGWLLTQKMELKAGDVIHAEGCEFKILDAEDHHIRFVEIKKTDF
Complex: AMP_A_5(3NQR) / Model_40(3NQR/A) = [5.4] Download719.1613.67MLILQLIAIFVLIGITAVFVAAEFAIVKIRGSKINQLIESGDSRALAAHKIISNLDEYLSACQLGITITALGLGWLGEPTFERFLHPLFTMTGIPEPFNHIVTFVVAFIIVTFLHVVMGELAPKTVSIQKAEAVSLWIAKPLIWFYKITYPFIKALNGSASFLVKLFGFHSVKEHQVVISEEELRLILSESYEKGEINQSEFRYVNKIFEFDNRVAREIMIPRTEIAVISLEQSLEEAIHHIINERYTRYPVIKDDKDHILGIINSKDMFKAYFLGQPIKLNQIMRPVIRVIESIPVQQLLIRMQKERIHMAILVDEYGGTAGLVTVEDIIEEIVGEIRDEYDQDETPHILKKGEHHYVMDGKALIDEVNDLLDIAIENEEIDTIAGWLLTQKMELKAGDVIHAEGCEFKILDAEDHHIRFVEIKKTDF
Complex: ADN_A_3(3OI8) / Model_3(3OI8/A) = [5.8] Download809.864.56MLILQLIAIFVLIGITAVFVAAEFAIVKIRGSKINQLIESGDSRALAAHKIISNLDEYLSACQLGITITALGLGWLGEPTFERFLHPLFTMTGIPEPFNHIVTFVVAFIIVTFLHVVMGELAPKTVSIQKAEAVSLWIAKPLIWFYKITYPFIKALNGSASFLVKLFGFHSVKEHQVVISEEELRLILSESYEKGEINQSEFRYVNKIFEFDNRVAREIMIPRTEIAVISLEQSLEEAIHHIINERYTRYPVIKDDKDHILGIINSKDMFKAYFLGQPIKLNQIMRPVIRVIESIPVQQLLIRMQKERIHMAILVDEYGGTAGLVTVEDIIEEIVGEIRDEYDQDETPHILKKGEHHYVMDGKALIDEVNDLLDIAIENEEIDTIAGWLLTQKMELKAGDVIHAEGCEFKILDAEDHHIRFVEIKKTDF
Complex: AMP_A_2(4HG0) / Model_2(4HG0/A) = [5.8] Download857.650.84MLILQLIAIFVLIGITAVFVAAEFAIVKIRGSKINQLIESGDSRALAAHKIISNLDEYLSACQLGITITALGLGWLGEPTFERFLHPLFTMTGIPEPFNHIVTFVVAFIIVTFLHVVMGELAPKTVSIQKAEAVSLWIAKPLIWFYKITYPFIKALNGSASFLVKLFGFHSVKEHQVVISEEELRLILSESYEKGEINQSEFRYVNKIFEFDNRVAREIMIPRTEIAVISLEQSLEEAIHHIINERYTRYPVIKDDKDHILGIINSKDMFKAYFLGQPIKLNQIMRPVIRVIESIPVQQLLIRMQKERIHMAILVDEYGGTAGLVTVEDIIEEIVGEIRDEYDQDETPHILKKGEHHYVMDGKALIDEVNDLLDIAIENEEIDTIAGWLLTQKMELKAGDVIHAEGCEFKILDAEDHHIRFVEIKKTDF
Consensus
[pKd Mean = 5.38]		-776
(s=55)		9
(s=5)		MLILQLIAIFVLIGITAVFVAAEFAIVKIRGSKINQLIESGDSRALAAHKIISNLDEYLSACQLGITITALGLGWLGEPTFERFLHPLFTMTGIPEPFNHIVTFVVAFIIVTFLHVVMGELAPKTVSIQKAEAVSLWIAKPLIWFYKITYPFIKALNGSASFLVKLFGFHSVKEHQVVISEEELRLILSESYEKGEINQSEFRYVNKIFEFDNRVAREIMIPRTEIAVISLEQSLEEAIHHIINERYTRYPVIKDDKDHILGIINSKDMFKAYFLGQPIKLNQIMRPVIRVIESIPVQQLLIRMQKERIHMAILVDEYGGTAGLVTVEDIIEEIVGEIRDEYDQDETPHILKKGEHHYVMDGKALIDEVNDLLDIAIENEEIDTIAGWLLTQKMELKAGDVIHAEGCEFKILDAEDHHIRFVEIKKTDF