Study : PA2086 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: GOA_A_5(3R3Z) / Model_8(3R3Z/A) = [3.1] Download221.8230.43MNTDPLLPGFDYLTLHTSAARLRVAVKGSGPPLLLLHGYPQTHLAWHRIAPRLAEDYSVVLADLRGYGESRALDEEGADYSKAALARDQLETMGQLGFERFAVIGHDRGARVGYRLALDHPQAVAAFVSLTVVPILDNWAAVNKVFALNAYHWFLLAQPYDLPERLIGADPEHFLDYTLRRMAQGRDIYHPQALESYRRAFRDPAVRHAMCEDYRAAVGVDADADQADRDAGRRLQCPVQVLWQERPYAAGQHPLEIWKTWAGQVEGAAIGASHMLPEDAPDAVLEHLLGFLASHREALR
Complex: GOA_C_9(3R3Z) / Model_22(3R3Z/C) = [3.1] Download176.6530.43MNTDPLLPGFDYLTLHTSAARLRVAVKGSGPPLLLLHGYPQTHLAWHRIAPRLAEDYSVVLADLRGYGESRALDEEGADYSKAALARDQLETMGQLGFERFAVIGHDRGARVGYRLALDHPQAVAAFVSLTVVPILDNWAAVNKVFALNAYHWFLLAQPYDLPERLIGADPEHFLDYTLRRMAQGRDIYHPQALESYRRAFRDPAVRHAMCEDYRAAVGVDADADQADRDAGRRLQCPVQVLWQERPYAAGQHPLEIWKTWAGQVEGAAIGASHMLPEDAPDAVLEHLLGFLASHREALR
Complex: GOA_D_11(3R3Z) / Model_21(3R3Z/D) = [3.1] Download144.0831.77MNTDPLLPGFDYLTLHTSAARLRVAVKGSGPPLLLLHGYPQTHLAWHRIAPRLAEDYSVVLADLRGYGESRALDEEGADYSKAALARDQLETMGQLGFERFAVIGHDRGARVGYRLALDHPQAVAAFVSLTVVPILDNWAAVNKVFALNAYHWFLLAQPYDLPERLIGADPEHFLDYTLRRMAQGRDIYHPQALESYRRAFRDPAVRHAMCEDYRAAVGVDADADQADRDAGRRLQCPVQVLWQERPYAAGQHPLEIWKTWAGQVEGAAIGASHMLPEDAPDAVLEHLLGFLASHREALR
Complex: FAH_A_16(4BB0) / Model_4(4BB0/A) = [3.6] Download551.8822.00MNTDPLLPGFDYLTLHTSAARLRVAVKGSGPPLLLLHGYPQTHLAWHRIAPRLAEDYSVVLADLRGYGESRALDEEGADYSKAALARDQLETMGQLGFERFAVIGHDRGARVGYRLALDHPQAVAAFVSLTVVPILDNWAAVNKVFALNAYHWFLLAQPYDLPERLIGADPEHFLDYTLRRMAQGRDIYHPQALESYRRAFRDPAVRHAMCEDYRAAVGVDADADQADRDAGRRLQCPVQVLWQERPYAAGQHPLEIWKTWAGQVEGAAIGASHMLPEDAPDAVLEHLLGFLASHREALR
Complex: FAH_A_2(4B9E) / Model_2(4B9E/A) = [3.6] Download501.8611.39MNTDPLLPGFDYLTLHTSAARLRVAVKGSGPPLLLLHGYPQTHLAWHRIAPRLAEDYSVVLADLRGYGESRALDEEGADYSKAALARDQLETMGQLGFERFAVIGHDRGARVGYRLALDHPQAVAAFVSLTVVPILDNWAAVNKVFALNAYHWFLLAQPYDLPERLIGADPEHFLDYTLRRMAQGRDIYHPQALESYRRAFRDPAVRHAMCEDYRAAVGVDADADQADRDAGRRLQCPVQVLWQERPYAAGQHPLEIWKTWAGQVEGAAIGASHMLPEDAPDAVLEHLLGFLASHREALR
Consensus
[pKd Mean = 3.30]
-319
(s=172)
25
(s=7)
MNTDPLLPGFDYLTLHTSAARLRVAVKGSGPPLLLLHGYPQTHLAWHRIAPRLAEDYSVVLADLRGYGESRALDEEGADYSKAALARDQLETMGQLGFERFAVIGHDRGARVGYRLALDHPQAVAAFVSLTVVPILDNWAAVNKVFALNAYHWFLLAQPYDLPERLIGADPEHFLDYTLRRMAQGRDIYHPQALESYRRAFRDPAVRHAMCEDYRAAVGVDADADQADRDAGRRLQCPVQVLWQERPYAAGQHPLEIWKTWAGQVEGAAIGASHMLPEDAPDAVLEHLLGFLASHREALR