Study : PA4067 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: C8E_X_8(2X27) / Model_26(2X27/X) = [3.3] Download837.5544.50MRKSWLTASLLALTVASPFAAADIQGHKAGDFIIRGGFATVDPDDSSSDIKLDGAKQRGTKATVDSDTQLGLTFTYMFADKWGVELVAATPFNHQVDVKGLGPGLDGKLADIKQLPPTLLLQYYPMGGTNSAFQPYGGLGVNYTTFFDEDLASNRKAQGFSSMKLQDSWGLAGELGFDYMLNEHALFNMAVWYMDIDTKASINGPSALGVNKTKVDVDVDPWVYMIGFGYKF
Complex: C8E_X_8(2X27) / Model_1(2X27/X) = [3.3] Download780.4244.50MRKSWLTASLLALTVASPFAAADIQGHKAGDFIIRGGFATVDPDDSSSDIKLDGAKQRGTKATVDSDTQLGLTFTYMFADKWGVELVAATPFNHQVDVKGLGPGLDGKLADIKQLPPTLLLQYYPMGGTNSAFQPYGGLGVNYTTFFDEDLASNRKAQGFSSMKLQDSWGLAGELGFDYMLNEHALFNMAVWYMDIDTKASINGPSALGVNKTKVDVDVDPWVYMIGFGYKF
Complex: C8E_J_10(2F1T) / Model_22(2F1T/B) = [3.7] Download633.0569.71MRKSWLTASLLALTVASPFAAADIQGHKAGDFIIRGGFATVDPDDSSSDIKLDGAKQRGTKATVDSDTQLGLTFTYMFADKWGVELVAATPFNHQVDVKGLGPGLDGKLADIKQLPPTLLLQYYPMGGTNSAFQPYGGLGVNYTTFFDEDLASNRKAQGFSSMKLQDSWGLAGELGFDYMLNEHALFNMAVWYMDIDTKASINGPSALGVNKTKVDVDVDPWVYMIGFGYKF
Consensus
[pKd Mean = 3.43]		-750
(s=86)		52
(s=11)		MRKSWLTASLLALTVASPFAAADIQGHKAGDFIIRGGFATVDPDDSSSDIKLDGAKQRGTKATVDSDTQLGLTFTYMFADKWGVELVAATPFNHQVDVKGLGPGLDGKLADIKQLPPTLLLQYYPMGGTNSAFQPYGGLGVNYTTFFDEDLASNRKAQGFSSMKLQDSWGLAGELGFDYMLNEHALFNMAVWYMDIDTKASINGPSALGVNKTKVDVDVDPWVYMIGFGYKF