Study : bsu27860 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: NTM_Q_17(2B7N) / Model_49(2B7N/C) = [3.4] Download540.88-5.43MNHLQLKKLLNHFFLEDIGTGDLTSQSIFGEQSCEAEIVAKSEGIFAGAAIIKEGFSLLDENVQSILHKKDGDMLHKGEVIAELHGPAAALLSGERVVLNLIQRLSGIATMTREAVRCLDDEQIKICDTRKTTPGLRMLEKYAVRAGGGYNHRFGLYDGIMIKDNHIAACGSILEACKKARQAAGHMVNIEVEIETEEQLREAIAAGADVIMFDNCPPDTVRHFAKLTPANIKTEASGGITLESLPAFKGTGVNYISLGFLTHSVKSLDISMDVTLSNESVEECCYVNS
Complex: NTM_M_13(2B7N) / Model_10(2B7N/A) = [3.5] Download498.90-4.53MNHLQLKKLLNHFFLEDIGTGDLTSQSIFGEQSCEAEIVAKSEGIFAGAAIIKEGFSLLDENVQSILHKKDGDMLHKGEVIAELHGPAAALLSGERVVLNLIQRLSGIATMTREAVRCLDDEQIKICDTRKTTPGLRMLEKYAVRAGGGYNHRFGLYDGIMIKDNHIAACGSILEACKKARQAAGHMVNIEVEIETEEQLREAIAAGADVIMFDNCPPDTVRHFAKLTPANIKTEASGGITLESLPAFKGTGVNYISLGFLTHSVKSLDISMDVTLSNESVEECCYVNS
Complex: NTM_M_13(2B7N) / Model_97(2B7N/A) = [3.5] Download500.75-4.53MNHLQLKKLLNHFFLEDIGTGDLTSQSIFGEQSCEAEIVAKSEGIFAGAAIIKEGFSLLDENVQSILHKKDGDMLHKGEVIAELHGPAAALLSGERVVLNLIQRLSGIATMTREAVRCLDDEQIKICDTRKTTPGLRMLEKYAVRAGGGYNHRFGLYDGIMIKDNHIAACGSILEACKKARQAAGHMVNIEVEIETEEQLREAIAAGADVIMFDNCPPDTVRHFAKLTPANIKTEASGGITLESLPAFKGTGVNYISLGFLTHSVKSLDISMDVTLSNESVEECCYVNS
Complex: PHT_A_3(3C2R) / Model_91(3C2R/A) = [3.5] Download454.566.86MNHLQLKKLLNHFFLEDIGTGDLTSQSIFGEQSCEAEIVAKSEGIFAGAAIIKEGFSLLDENVQSILHKKDGDMLHKGEVIAELHGPAAALLSGERVVLNLIQRLSGIATMTREAVRCLDDEQIKICDTRKTTPGLRMLEKYAVRAGGGYNHRFGLYDGIMIKDNHIAACGSILEACKKARQAAGHMVNIEVEIETEEQLREAIAAGADVIMFDNCPPDTVRHFAKLTPANIKTEASGGITLESLPAFKGTGVNYISLGFLTHSVKSLDISMDVTLSNESVEECCYVNS
Complex: NTM_B_4(1QAP) / Model_21(1QAP/B) = [3.5] Download232.660.58MNHLQLKKLLNHFFLEDIGTGDLTSQSIFGEQSCEAEIVAKSEGIFAGAAIIKEGFSLLDENVQSILHKKDGDMLHKGEVIAELHGPAAALLSGERVVLNLIQRLSGIATMTREAVRCLDDEQIKICDTRKTTPGLRMLEKYAVRAGGGYNHRFGLYDGIMIKDNHIAACGSILEACKKARQAAGHMVNIEVEIETEEQLREAIAAGADVIMFDNCPPDTVRHFAKLTPANIKTEASGGITLESLPAFKGTGVNYISLGFLTHSVKSLDISMDVTLSNESVEECCYVNS
Consensus
[pKd Mean = 3.48]
-445
(s=109)
-1
(s=4)
MNHLQLKKLLNHFFLEDIGTGDLTSQSIFGEQSCEAEIVAKSEGIFAGAAIIKEGFSLLDENVQSILHKKDGDMLHKGEVIAELHGPAAALLSGERVVLNLIQRLSGIATMTREAVRCLDDEQIKICDTRKTTPGLRMLEKYAVRAGGGYNHRFGLYDGIMIKDNHIAACGSILEACKKARQAAGHMVNIEVEIETEEQLREAIAAGADVIMFDNCPPDTVRHFAKLTPANIKTEASGGITLESLPAFKGTGVNYISLGFLTHSVKSLDISMDVTLSNESVEECCYVNS