Study : bsu01610 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: COA_A_3(1QR0) / Model_41(1QR0/A) = [4.5] Download919.153.77MKIYGIYMDRPLSQEETDRLMSFVSAEKREKCRRFYHKEDAHRTLLGDVLVRSVISEQYQLNKADIRFSAQEYGKPCIPDLPNAHFNISHSGHWVIGAFDSDPIGVDIEKMKPISLGIAERFFSKNEYSDLLSKHKDEQNDYFYHLWSMKESFIKQEGKGLSLPLDSFSVRLHEDGRVSVELPEHHTPCFIKTYEVDPGYKMAVCAARPDFPEDITMISYEALL
Complex: COA_A_3(1QR0) / Model_1(1QR0/A) = [7.4] Download2154.4713.61MKIYGIYMDRPLSQEETDRLMSFVSAEKREKCRRFYHKEDAHRTLLGDVLVRSVISEQYQLNKADIRFSAQEYGKPCIPDLPNAHFNISHSGHWVIGAFDSDPIGVDIEKMKPISLGIAERFFSKNEYSDLLSKHKDEQNDYFYHLWSMKESFIKQEGKGLSLPLDSFSVRLHEDGRVSVELPEHHTPCFIKTYEVDPGYKMAVCAARPDFPEDITMISYEALL
Complex: COA_A_3(1QR0) / Model_39(1QR0/A) = [7.4] Download2154.4713.61MKIYGIYMDRPLSQEETDRLMSFVSAEKREKCRRFYHKEDAHRTLLGDVLVRSVISEQYQLNKADIRFSAQEYGKPCIPDLPNAHFNISHSGHWVIGAFDSDPIGVDIEKMKPISLGIAERFFSKNEYSDLLSKHKDEQNDYFYHLWSMKESFIKQEGKGLSLPLDSFSVRLHEDGRVSVELPEHHTPCFIKTYEVDPGYKMAVCAARPDFPEDITMISYEALL
Complex: COA_A_3(1QR0) / Model_14(1QR0/A) = [7.4] Download1883.2813.61MKIYGIYMDRPLSQEETDRLMSFVSAEKREKCRRFYHKEDAHRTLLGDVLVRSVISEQYQLNKADIRFSAQEYGKPCIPDLPNAHFNISHSGHWVIGAFDSDPIGVDIEKMKPISLGIAERFFSKNEYSDLLSKHKDEQNDYFYHLWSMKESFIKQEGKGLSLPLDSFSVRLHEDGRVSVELPEHHTPCFIKTYEVDPGYKMAVCAARPDFPEDITMISYEALL
Complex: COA_A_4(4MRT) / Model_2(4MRT/A) = [8.8] Download1808.294.34MKIYGIYMDRPLSQEETDRLMSFVSAEKREKCRRFYHKEDAHRTLLGDVLVRSVISEQYQLNKADIRFSAQEYGKPCIPDLPNAHFNISHSGHWVIGAFDSDPIGVDIEKMKPISLGIAERFFSKNEYSDLLSKHKDEQNDYFYHLWSMKESFIKQEGKGLSLPLDSFSVRLHEDGRVSVELPEHHTPCFIKTYEVDPGYKMAVCAARPDFPEDITMISYEALL
Consensus
[pKd Mean = 7.10]
-1783
(s=454)
9
(s=4)
MKIYGIYMDRPLSQEETDRLMSFVSAEKREKCRRFYHKEDAHRTLLGDVLVRSVISEQYQLNKADIRFSAQEYGKPCIPDLPNAHFNISHSGHWVIGAFDSDPIGVDIEKMKPISLGIAERFFSKNEYSDLLSKHKDEQNDYFYHLWSMKESFIKQEGKGLSLPLDSFSVRLHEDGRVSVELPEHHTPCFIKTYEVDPGYKMAVCAARPDFPEDITMISYEALL