Study : Lmo0227 (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: FMN_A_5(1VHN) / Model_81(1VHN/A) = [8.5] Download1022.4628.79MFKIGNVEIKNQVVVAPMAGISNSAFRLTVKEFGAGLVCCEMISDKGIAYRNAKTLDMLYIDEKEKPLSLQIFGGEKETLVEAAKFVAENTTADIIDINMGCPVNKIIKCEAGAKWLLDPNKVYDMVAAVVDAVDKPVTVKMRIGWDEEHVFAIENALAAERAGAAAVAMHGRTRVQMYEGSANWDVLRDVKRELKIPFMANGDVRTPEDAKRILEHTGADGVMIGRAALGNPWMIYRTVKFLETGELLLEPEPREKMQTAMLHLNRLVELKGENIAVREFRQHAAYYLKGARGSTRAKVAANQATKQSEMEAILNEFVLQYEEKALAKQD
Complex: FMN_A_5(1VHN) / Model_1(1VHN/A) = [8.5] Download920.0128.79MFKIGNVEIKNQVVVAPMAGISNSAFRLTVKEFGAGLVCCEMISDKGIAYRNAKTLDMLYIDEKEKPLSLQIFGGEKETLVEAAKFVAENTTADIIDINMGCPVNKIIKCEAGAKWLLDPNKVYDMVAAVVDAVDKPVTVKMRIGWDEEHVFAIENALAAERAGAAAVAMHGRTRVQMYEGSANWDVLRDVKRELKIPFMANGDVRTPEDAKRILEHTGADGVMIGRAALGNPWMIYRTVKFLETGELLLEPEPREKMQTAMLHLNRLVELKGENIAVREFRQHAAYYLKGARGSTRAKVAANQATKQSEMEAILNEFVLQYEEKALAKQD
Complex: FMN_A_3(3B0P) / Model_7(3B0P/A) = [9.6] Download900.7523.33MFKIGNVEIKNQVVVAPMAGISNSAFRLTVKEFGAGLVCCEMISDKGIAYRNAKTLDMLYIDEKEKPLSLQIFGGEKETLVEAAKFVAENTTADIIDINMGCPVNKIIKCEAGAKWLLDPNKVYDMVAAVVDAVDKPVTVKMRIGWDEEHVFAIENALAAERAGAAAVAMHGRTRVQMYEGSANWDVLRDVKRELKIPFMANGDVRTPEDAKRILEHTGADGVMIGRAALGNPWMIYRTVKFLETGELLLEPEPREKMQTAMLHLNRLVELKGENIAVREFRQHAAYYLKGARGSTRAKVAANQATKQSEMEAILNEFVLQYEEKALAKQD
Complex: FMN_A_2(3W9Z) / Model_2(3W9Z/A) = [9.9] Download823.2714.54MFKIGNVEIKNQVVVAPMAGISNSAFRLTVKEFGAGLVCCEMISDKGIAYRNAKTLDMLYIDEKEKPLSLQIFGGEKETLVEAAKFVAENTTADIIDINMGCPVNKIIKCEAGAKWLLDPNKVYDMVAAVVDAVDKPVTVKMRIGWDEEHVFAIENALAAERAGAAAVAMHGRTRVQMYEGSANWDVLRDVKRELKIPFMANGDVRTPEDAKRILEHTGADGVMIGRAALGNPWMIYRTVKFLETGELLLEPEPREKMQTAMLHLNRLVELKGENIAVREFRQHAAYYLKGARGSTRAKVAANQATKQSEMEAILNEFVLQYEEKALAKQD
Complex: FMN_A_3(4BFA) / Model_3(4BFA/A) = [10.1] Download1025.9915.52MFKIGNVEIKNQVVVAPMAGISNSAFRLTVKEFGAGLVCCEMISDKGIAYRNAKTLDMLYIDEKEKPLSLQIFGGEKETLVEAAKFVAENTTADIIDINMGCPVNKIIKCEAGAKWLLDPNKVYDMVAAVVDAVDKPVTVKMRIGWDEEHVFAIENALAAERAGAAAVAMHGRTRVQMYEGSANWDVLRDVKRELKIPFMANGDVRTPEDAKRILEHTGADGVMIGRAALGNPWMIYRTVKFLETGELLLEPEPREKMQTAMLHLNRLVELKGENIAVREFRQHAAYYLKGARGSTRAKVAANQATKQSEMEAILNEFVLQYEEKALAKQD
Consensus
[pKd Mean = 9.32]		-938
(s=77)		22
(s=6)		MFKIGNVEIKNQVVVAPMAGISNSAFRLTVKEFGAGLVCCEMISDKGIAYRNAKTLDMLYIDEKEKPLSLQIFGGEKETLVEAAKFVAENTTADIIDINMGCPVNKIIKCEAGAKWLLDPNKVYDMVAAVVDAVDKPVTVKMRIGWDEEHVFAIENALAAERAGAAAVAMHGRTRVQMYEGSANWDVLRDVKRELKIPFMANGDVRTPEDAKRILEHTGADGVMIGRAALGNPWMIYRTVKFLETGELLLEPEPREKMQTAMLHLNRLVELKGENIAVREFRQHAAYYLKGARGSTRAKVAANQATKQSEMEAILNEFVLQYEEKALAKQD