Study : T0726 (models@predictioncenter.org)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [Kd < -3] : 5 (5 maxi)

Complexes [Theoretical Kd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: CHAIN_B_2(3B7S) / Model_33(3EBH/A) = [-5.1] Download--MIAYDITPIDLHGHLFNVSLTIEQTNDEQELWLPNWIPGSYLIRDFSKHIIGLHAESNGLSLPVKQISKNRWQLARSKHPVTVHYQVYAWDLSVRSAYLDQFQGFFNNTSLCLAVEGQTDLPCELHLHAPPEAPLWKVATGMPRKSGQPHSWGCFRADNYDALIDYPFLIGDLTIEEFIAHGIKHSLVLSGRHYADTSRITADLAKICETQISLFEEAPFQSYTFLTMVVGNGFGGLEHRNSTALLCSRKDLISAHQYEMNDNYQTFLSLCCHEYFHSWNIKTLKPKAFLPYQLEKESYTEQLWFYEGMTSYFDDYLLHTSGIIDEKRYLKLLGDTLSRVERGAGQYQQSVTESSFLAWTKFYQQNENAPNSIVSYYAKGALIALSLDLMLRLQSDHKLTLARVMKELWHEFGKTSIGTADDTVINWLNQYPGIDISDFLKDALYNKESLSLVELLQNFGVMVQKQVPVDDNSVGGKASEQPARVNFGAKYKASPQGLDVLNVYHDESAYHAGLSAGDKIIAIDHLQATEQSVKRILERYIPGDTVTIHAFRRDELMTLELTWQEPAKSSYVLSVEQPDKLKGWLTPSGLEHHHHHH
Complex: BES_A_7(1HS6) / Model_33(3EBH/A) = [-4.9] Download--MIAYDITPIDLHGHLFNVSLTIEQTNDEQELWLPNWIPGSYLIRDFSKHIIGLHAESNGLSLPVKQISKNRWQLARSKHPVTVHYQVYAWDLSVRSAYLDQFQGFFNNTSLCLAVEGQTDLPCELHLHAPPEAPLWKVATGMPRKSGQPHSWGCFRADNYDALIDYPFLIGDLTIEEFIAHGIKHSLVLSGRHYADTSRITADLAKICETQISLFEEAPFQSYTFLTMVVGNGFGGLEHRNSTALLCSRKDLISAHQYEMNDNYQTFLSLCCHEYFHSWNIKTLKPKAFLPYQLEKESYTEQLWFYEGMTSYFDDYLLHTSGIIDEKRYLKLLGDTLSRVERGAGQYQQSVTESSFLAWTKFYQQNENAPNSIVSYYAKGALIALSLDLMLRLQSDHKLTLARVMKELWHEFGKTSIGTADDTVINWLNQYPGIDISDFLKDALYNKESLSLVELLQNFGVMVQKQVPVDDNSVGGKASEQPARVNFGAKYKASPQGLDVLNVYHDESAYHAGLSAGDKIIAIDHLQATEQSVKRILERYIPGDTVTIHAFRRDELMTLELTWQEPAKSSYVLSVEQPDKLKGWLTPSGLEHHHHHH
Complex: CHAIN_B_2(3B7S) / Model_32(3B34/A) = [-4.6] Download--MIAYDITPIDLHGHLFNVSLTIEQTNDEQELWLPNWIPGSYLIRDFSKHIIGLHAESNGLSLPVKQISKNRWQLARSKHPVTVHYQVYAWDLSVRSAYLDQFQGFFNNTSLCLAVEGQTDLPCELHLHAPPEAPLWKVATGMPRKSGQPHSWGCFRADNYDALIDYPFLIGDLTIEEFIAHGIKHSLVLSGRHYADTSRITADLAKICETQISLFEEAPFQSYTFLTMVVGNGFGGLEHRNSTALLCSRKDLISAHQYEMNDNYQTFLSLCCHEYFHSWNIKTLKPKAFLPYQLEKESYTEQLWFYEGMTSYFDDYLLHTSGIIDEKRYLKLLGDTLSRVERGAGQYQQSVTESSFLAWTKFYQQNENAPNSIVSYYAKGALIALSLDLMLRLQSDHKLTLARVMKELWHEFGKTSIGTADDTVINWLNQYPGIDISDFLKDALYNKESLSLVELLQNFGVMVQKQVPVDDNSVGGKASEQPARVNFGAKYKASPQGLDVLNVYHDESAYHAGLSAGDKIIAIDHLQATEQSVKRILERYIPGDTVTIHAFRRDELMTLELTWQEPAKSSYVLSVEQPDKLKGWLTPSGLEHHHHHH
Complex: BES_A_3(3EBH) / Model_33(3EBH/A) = [-4.4] Download--MIAYDITPIDLHGHLFNVSLTIEQTNDEQELWLPNWIPGSYLIRDFSKHIIGLHAESNGLSLPVKQISKNRWQLARSKHPVTVHYQVYAWDLSVRSAYLDQFQGFFNNTSLCLAVEGQTDLPCELHLHAPPEAPLWKVATGMPRKSGQPHSWGCFRADNYDALIDYPFLIGDLTIEEFIAHGIKHSLVLSGRHYADTSRITADLAKICETQISLFEEAPFQSYTFLTMVVGNGFGGLEHRNSTALLCSRKDLISAHQYEMNDNYQTFLSLCCHEYFHSWNIKTLKPKAFLPYQLEKESYTEQLWFYEGMTSYFDDYLLHTSGIIDEKRYLKLLGDTLSRVERGAGQYQQSVTESSFLAWTKFYQQNENAPNSIVSYYAKGALIALSLDLMLRLQSDHKLTLARVMKELWHEFGKTSIGTADDTVINWLNQYPGIDISDFLKDALYNKESLSLVELLQNFGVMVQKQVPVDDNSVGGKASEQPARVNFGAKYKASPQGLDVLNVYHDESAYHAGLSAGDKIIAIDHLQATEQSVKRILERYIPGDTVTIHAFRRDELMTLELTWQEPAKSSYVLSVEQPDKLKGWLTPSGLEHHHHHH
Complex: BES_A_7(1HS6) / Model_32(3B34/A) = [-4.3] Download--MIAYDITPIDLHGHLFNVSLTIEQTNDEQELWLPNWIPGSYLIRDFSKHIIGLHAESNGLSLPVKQISKNRWQLARSKHPVTVHYQVYAWDLSVRSAYLDQFQGFFNNTSLCLAVEGQTDLPCELHLHAPPEAPLWKVATGMPRKSGQPHSWGCFRADNYDALIDYPFLIGDLTIEEFIAHGIKHSLVLSGRHYADTSRITADLAKICETQISLFEEAPFQSYTFLTMVVGNGFGGLEHRNSTALLCSRKDLISAHQYEMNDNYQTFLSLCCHEYFHSWNIKTLKPKAFLPYQLEKESYTEQLWFYEGMTSYFDDYLLHTSGIIDEKRYLKLLGDTLSRVERGAGQYQQSVTESSFLAWTKFYQQNENAPNSIVSYYAKGALIALSLDLMLRLQSDHKLTLARVMKELWHEFGKTSIGTADDTVINWLNQYPGIDISDFLKDALYNKESLSLVELLQNFGVMVQKQVPVDDNSVGGKASEQPARVNFGAKYKASPQGLDVLNVYHDESAYHAGLSAGDKIIAIDHLQATEQSVKRILERYIPGDTVTIHAFRRDELMTLELTWQEPAKSSYVLSVEQPDKLKGWLTPSGLEHHHHHH
Consensus
[Kd Mean = -4.66]
-0
(s=0)
0
(s=0)
MIAYDITPIDLHGHLFNVSLTIEQTNDEQELWLPNWIPGSYLIRDFSKHIIGLHAESNGLSLPVKQISKNRWQLARSKHPVTVHYQVYAWDLSVRSAYLDQFQGFFNNTSLCLAVEGQTDLPCELHLHAPPEAPLWKVATGMPRKSGQPHSWGCFRADNYDALIDYPFLIGDLTIEEFIAHGIKHSLVLSGRHYADTSRITADLAKICETQISLFEEAPFQSYTFLTMVVGNGFGGLEHRNSTALLCSRKDLISAHQYEMNDNYQTFLSLCCHEYFHSWNIKTLKPKAFLPYQLEKESYTEQLWFYEGMTSYFDDYLLHTSGIIDEKRYLKLLGDTLSRVERGAGQYQQSVTESSFLAWTKFYQQNENAPNSIVSYYAKGALIALSLDLMLRLQSDHKLTLARVMKELWHEFGKTSIGTADDTVINWLNQYPGIDISDFLKDALYNKESLSLVELLQNFGVMVQKQVPVDDNSVGGKASEQPARVNFGAKYKASPQGLDVLNVYHDESAYHAGLSAGDKIIAIDHLQATEQSVKRILERYIPGDTVTIHAFRRDELMTLELTWQEPAKSSYVLSVEQPDKLKGWLTPSGLEHHHHHH