Study : bsu29640 (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: MES_C_3(1VHM) / Model_21(1VHM/B) = [3.2] Download484.1013.91MFHVEKQSGDKEKDYQLLLKQLEAMTEDETDQIANYANASALLYHSLPEVNWAGFYFAKEEDGQLVLGPFQGLPACVRIPFGRGVCGTAYANGKVERIEDVNAFPGHIACDAASQSEIVLPIRVDGKIVGVLDIDSPVKNRFDEIDEKYLTQFAETLEKALAQ
Complex: SME_B_4(3RFB) / Model_29(3RFB/B) = [3.2] Download339.389.90MFHVEKQSGDKEKDYQLLLKQLEAMTEDETDQIANYANASALLYHSLPEVNWAGFYFAKEEDGQLVLGPFQGLPACVRIPFGRGVCGTAYANGKVERIEDVNAFPGHIACDAASQSEIVLPIRVDGKIVGVLDIDSPVKNRFDEIDEKYLTQFAETLEKALAQ
Complex: SME_A_3(3RFB) / Model_54(3RFB/A) = [3.3] Download302.438.71MFHVEKQSGDKEKDYQLLLKQLEAMTEDETDQIANYANASALLYHSLPEVNWAGFYFAKEEDGQLVLGPFQGLPACVRIPFGRGVCGTAYANGKVERIEDVNAFPGHIACDAASQSEIVLPIRVDGKIVGVLDIDSPVKNRFDEIDEKYLTQFAETLEKALAQ
Complex: SME_A_3(3RFB) / Model_10(3RFB/A) = [3.3] Download326.318.71MFHVEKQSGDKEKDYQLLLKQLEAMTEDETDQIANYANASALLYHSLPEVNWAGFYFAKEEDGQLVLGPFQGLPACVRIPFGRGVCGTAYANGKVERIEDVNAFPGHIACDAASQSEIVLPIRVDGKIVGVLDIDSPVKNRFDEIDEKYLTQFAETLEKALAQ
Complex: MES_D_4(1VHM) / Model_1(1VHM/A) = [3.5] Download356.8617.86MFHVEKQSGDKEKDYQLLLKQLEAMTEDETDQIANYANASALLYHSLPEVNWAGFYFAKEEDGQLVLGPFQGLPACVRIPFGRGVCGTAYANGKVERIEDVNAFPGHIACDAASQSEIVLPIRVDGKIVGVLDIDSPVKNRFDEIDEKYLTQFAETLEKALAQ
Consensus
[pKd Mean = 3.30]
-361
(s=63)
11
(s=3)
MFHVEKQSGDKEKDYQLLLKQLEAMTEDETDQIANYANASALLYHSLPEVNWAGFYFAKEEDGQLVLGPFQGLPACVRIPFGRGVCGTAYANGKVERIEDVNAFPGHIACDAASQSEIVLPIRVDGKIVGVLDIDSPVKNRFDEIDEKYLTQFAETLEKALAQ