Study : jhp_0428 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: GLU_A_4(4GRI) / Model_3(4GRI/A) = [3.4] Download21165.0130.33MSLIVTRFAPSPTGYLHIGGLRTAIFNYLFARANQGKFFLRIEDTDLSRNSIEAANAIVEAFKWVGLEHDGEILYQSKRFEIYKEYIQKLLDEDKAYYCYMSKEELDALREEQKARKETPRYDNRYRDFKGTPPKGIEPVVRIKVPQNEVIGFNDGVKGEVKVNTNEIDDFIIARSDGTPTYNFVVTIDDALMGITDVIRGDDHLSNTPKQIVLYKALNFKIPNFFHVPMILNEEGQKLSKRHGATNVMDYQEMGYLKEALVNFLARLGWSYQDKEVFSMQELLEWFNPKDLNSSPSCFSWHKLNWLNAHYLKNQSVQELLKLLKPFSFSDLSHLNPAQLDRLLDALKERSQTLKELALKIDEVLTAPIEYEEKVFKKLNQALVMPLLEKFKLALDKTDFNDESALENAMHQIIEEEKIKAGHFMQPLRLALLGKGGGIGLKEALFILGKAESIKRIEEFLKN
Complex: GLU_B_7(4GRI) / Model_21(4GRI/B) = [3.5] Download25222.1529.65MSLIVTRFAPSPTGYLHIGGLRTAIFNYLFARANQGKFFLRIEDTDLSRNSIEAANAIVEAFKWVGLEHDGEILYQSKRFEIYKEYIQKLLDEDKAYYCYMSKEELDALREEQKARKETPRYDNRYRDFKGTPPKGIEPVVRIKVPQNEVIGFNDGVKGEVKVNTNEIDDFIIARSDGTPTYNFVVTIDDALMGITDVIRGDDHLSNTPKQIVLYKALNFKIPNFFHVPMILNEEGQKLSKRHGATNVMDYQEMGYLKEALVNFLARLGWSYQDKEVFSMQELLEWFNPKDLNSSPSCFSWHKLNWLNAHYLKNQSVQELLKLLKPFSFSDLSHLNPAQLDRLLDALKERSQTLKELALKIDEVLTAPIEYEEKVFKKLNQALVMPLLEKFKLALDKTDFNDESALENAMHQIIEEEKIKAGHFMQPLRLALLGKGGGIGLKEALFILGKAESIKRIEEFLKN
Complex: GSU_A_2(3AFH) / Model_36(3AFH/A) = [7.8] Download1290.9718.00MSLIVTRFAPSPTGYLHIGGLRTAIFNYLFARANQGKFFLRIEDTDLSRNSIEAANAIVEAFKWVGLEHDGEILYQSKRFEIYKEYIQKLLDEDKAYYCYMSKEELDALREEQKARKETPRYDNRYRDFKGTPPKGIEPVVRIKVPQNEVIGFNDGVKGEVKVNTNEIDDFIIARSDGTPTYNFVVTIDDALMGITDVIRGDDHLSNTPKQIVLYKALNFKIPNFFHVPMILNEEGQKLSKRHGATNVMDYQEMGYLKEALVNFLARLGWSYQDKEVFSMQELLEWFNPKDLNSSPSCFSWHKLNWLNAHYLKNQSVQELLKLLKPFSFSDLSHLNPAQLDRLLDALKERSQTLKELALKIDEVLTAPIEYEEKVFKKLNQALVMPLLEKFKLALDKTDFNDESALENAMHQIIEEEKIKAGHFMQPLRLALLGKGGGIGLKEALFILGKAESIKRIEEFLKN
Complex: GSU_A_2(3AFH) / Model_5(3AFH/A) = [7.8] Download1168.8418.00MSLIVTRFAPSPTGYLHIGGLRTAIFNYLFARANQGKFFLRIEDTDLSRNSIEAANAIVEAFKWVGLEHDGEILYQSKRFEIYKEYIQKLLDEDKAYYCYMSKEELDALREEQKARKETPRYDNRYRDFKGTPPKGIEPVVRIKVPQNEVIGFNDGVKGEVKVNTNEIDDFIIARSDGTPTYNFVVTIDDALMGITDVIRGDDHLSNTPKQIVLYKALNFKIPNFFHVPMILNEEGQKLSKRHGATNVMDYQEMGYLKEALVNFLARLGWSYQDKEVFSMQELLEWFNPKDLNSSPSCFSWHKLNWLNAHYLKNQSVQELLKLLKPFSFSDLSHLNPAQLDRLLDALKERSQTLKELALKIDEVLTAPIEYEEKVFKKLNQALVMPLLEKFKLALDKTDFNDESALENAMHQIIEEEKIKAGHFMQPLRLALLGKGGGIGLKEALFILGKAESIKRIEEFLKN
Consensus
[pKd Mean = 5.62]		-12211
(s=11075)		23
(s=6)		MSLIVTRFAPSPTGYLHIGGLRTAIFNYLFARANQGKFFLRIEDTDLSRNSIEAANAIVEAFKWVGLEHDGEILYQSKRFEIYKEYIQKLLDEDKAYYCYMSKEELDALREEQKARKETPRYDNRYRDFKGTPPKGIEPVVRIKVPQNEVIGFNDGVKGEVKVNTNEIDDFIIARSDGTPTYNFVVTIDDALMGITDVIRGDDHLSNTPKQIVLYKALNFKIPNFFHVPMILNEEGQKLSKRHGATNVMDYQEMGYLKEALVNFLARLGWSYQDKEVFSMQELLEWFNPKDLNSSPSCFSWHKLNWLNAHYLKNQSVQELLKLLKPFSFSDLSHLNPAQLDRLLDALKERSQTLKELALKIDEVLTAPIEYEEKVFKKLNQALVMPLLEKFKLALDKTDFNDESALENAMHQIIEEEKIKAGHFMQPLRLALLGKGGGIGLKEALFILGKAESIKRIEEFLKN