Study : bsu02320 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: NACID_M_1(1D5Y) / Model_50(1D5Y/A) = [3.6] Download--MYYEKAVQKTINWIESHLHEQISNEDIVNVSSFSKFHFHRIFQKEVGMSVASYIRLRRLANAAAALLYTDHRIIDIALYYQFESQEAFTRTFKKMYHMPPGAYRTFMKRFTSKKEESYMEKKMKGWVLSGSHPFQFEMGIDRENVHQGKASGYLKSTMVQDIGEFATMMQQFKADRYLGKRLRLSSFIKTKGVQHFASLWMRVDSAADDVLQFDNMSNRPITGTTNWNHYAIVLDVPENSAVISFGVQLSGPGQVWMDHVVFEEVDESVPSTNLEMPGELLDEPVNLSFEEELQK
Complex: NACID_O_3(1D5Y) / Model_21(1D5Y/D) = [4.0] Download--MYYEKAVQKTINWIESHLHEQISNEDIVNVSSFSKFHFHRIFQKEVGMSVASYIRLRRLANAAAALLYTDHRIIDIALYYQFESQEAFTRTFKKMYHMPPGAYRTFMKRFTSKKEESYMEKKMKGWVLSGSHPFQFEMGIDRENVHQGKASGYLKSTMVQDIGEFATMMQQFKADRYLGKRLRLSSFIKTKGVQHFASLWMRVDSAADDVLQFDNMSNRPITGTTNWNHYAIVLDVPENSAVISFGVQLSGPGQVWMDHVVFEEVDESVPSTNLEMPGELLDEPVNLSFEEELQK
Complex: NACID_O_3(1D5Y) / Model_22(1D5Y/C) = [4.1] Download--MYYEKAVQKTINWIESHLHEQISNEDIVNVSSFSKFHFHRIFQKEVGMSVASYIRLRRLANAAAALLYTDHRIIDIALYYQFESQEAFTRTFKKMYHMPPGAYRTFMKRFTSKKEESYMEKKMKGWVLSGSHPFQFEMGIDRENVHQGKASGYLKSTMVQDIGEFATMMQQFKADRYLGKRLRLSSFIKTKGVQHFASLWMRVDSAADDVLQFDNMSNRPITGTTNWNHYAIVLDVPENSAVISFGVQLSGPGQVWMDHVVFEEVDESVPSTNLEMPGELLDEPVNLSFEEELQK
Complex: NACID_B_1(1BL0) / Model_2(1BL0/A) = [4.3] Download--MYYEKAVQKTINWIESHLHEQISNEDIVNVSSFSKFHFHRIFQKEVGMSVASYIRLRRLANAAAALLYTDHRIIDIALYYQFESQEAFTRTFKKMYHMPPGAYRTFMKRFTSKKEESYMEKKMKGWVLSGSHPFQFEMGIDRENVHQGKASGYLKSTMVQDIGEFATMMQQFKADRYLGKRLRLSSFIKTKGVQHFASLWMRVDSAADDVLQFDNMSNRPITGTTNWNHYAIVLDVPENSAVISFGVQLSGPGQVWMDHVVFEEVDESVPSTNLEMPGELLDEPVNLSFEEELQK
Complex: NACID_B_1(1BL0) / Model_47(1BL0/A) = [4.4] Download--MYYEKAVQKTINWIESHLHEQISNEDIVNVSSFSKFHFHRIFQKEVGMSVASYIRLRRLANAAAALLYTDHRIIDIALYYQFESQEAFTRTFKKMYHMPPGAYRTFMKRFTSKKEESYMEKKMKGWVLSGSHPFQFEMGIDRENVHQGKASGYLKSTMVQDIGEFATMMQQFKADRYLGKRLRLSSFIKTKGVQHFASLWMRVDSAADDVLQFDNMSNRPITGTTNWNHYAIVLDVPENSAVISFGVQLSGPGQVWMDHVVFEEVDESVPSTNLEMPGELLDEPVNLSFEEELQK
Consensus
[pKd Mean = 4.08]		-0
(s=0)		0
(s=0)		MYYEKAVQKTINWIESHLHEQISNEDIVNVSSFSKFHFHRIFQKEVGMSVASYIRLRRLANAAAALLYTDHRIIDIALYYQFESQEAFTRTFKKMYHMPPGAYRTFMKRFTSKKEESYMEKKMKGWVLSGSHPFQFEMGIDRENVHQGKASGYLKSTMVQDIGEFATMMQQFKADRYLGKRLRLSSFIKTKGVQHFASLWMRVDSAADDVLQFDNMSNRPITGTTNWNHYAIVLDVPENSAVISFGVQLSGPGQVWMDHVVFEEVDESVPSTNLEMPGELLDEPVNLSFEEELQK