Study : PA3312 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: TLA_A_3(1VPD) / Model_37(1VPD/A) = [3.5] Download333.1038.06MSASLPSLAFAGLGLMGVPMCRRLLAAGYPLAVWNRSPGKRELLAAEGAKAVEVPAELAADAEILMLCLADTAAVREVVFGAGGIVENARPGQLLVDFSSAEPAATREMAAELEARCGVRWVDAPVSGGTPGAESGSLAIMAGGRAADIERLRPVLSRLGQRLTRMGEVGAGQVTKVCNQMIVACNALVIAEVVALAERAGVDASLVAPALAGGFADSKPLQILAPQMAESRYEPVKWHVRTLLKDLDTAVKLSREQGAATPMSGLAAQLMRLHGSQGYLERDPATLVEQYRTAVE
Complex: NDP_K_11(1WP4) / Model_28(1WP4/D) = [10.0] Download2097.6522.92MSASLPSLAFAGLGLMGVPMCRRLLAAGYPLAVWNRSPGKRELLAAEGAKAVEVPAELAADAEILMLCLADTAAVREVVFGAGGIVENARPGQLLVDFSSAEPAATREMAAELEARCGVRWVDAPVSGGTPGAESGSLAIMAGGRAADIERLRPVLSRLGQRLTRMGEVGAGQVTKVCNQMIVACNALVIAEVVALAERAGVDASLVAPALAGGFADSKPLQILAPQMAESRYEPVKWHVRTLLKDLDTAVKLSREQGAATPMSGLAAQLMRLHGSQGYLERDPATLVEQYRTAVE
Complex: NDP_A_6(2CVZ) / Model_41(2CVZ/A) = [11.3] Download1579.9120.89MSASLPSLAFAGLGLMGVPMCRRLLAAGYPLAVWNRSPGKRELLAAEGAKAVEVPAELAADAEILMLCLADTAAVREVVFGAGGIVENARPGQLLVDFSSAEPAATREMAAELEARCGVRWVDAPVSGGTPGAESGSLAIMAGGRAADIERLRPVLSRLGQRLTRMGEVGAGQVTKVCNQMIVACNALVIAEVVALAERAGVDASLVAPALAGGFADSKPLQILAPQMAESRYEPVKWHVRTLLKDLDTAVKLSREQGAATPMSGLAAQLMRLHGSQGYLERDPATLVEQYRTAVE
Complex: NDP_L_12(1WP4) / Model_30(1WP4/B) = [11.6] Download1378.9624.89MSASLPSLAFAGLGLMGVPMCRRLLAAGYPLAVWNRSPGKRELLAAEGAKAVEVPAELAADAEILMLCLADTAAVREVVFGAGGIVENARPGQLLVDFSSAEPAATREMAAELEARCGVRWVDAPVSGGTPGAESGSLAIMAGGRAADIERLRPVLSRLGQRLTRMGEVGAGQVTKVCNQMIVACNALVIAEVVALAERAGVDASLVAPALAGGFADSKPLQILAPQMAESRYEPVKWHVRTLLKDLDTAVKLSREQGAATPMSGLAAQLMRLHGSQGYLERDPATLVEQYRTAVE
Complex: NDP_J_10(1WP4) / Model_29(1WP4/C) = [11.7] Download1384.8623.41MSASLPSLAFAGLGLMGVPMCRRLLAAGYPLAVWNRSPGKRELLAAEGAKAVEVPAELAADAEILMLCLADTAAVREVVFGAGGIVENARPGQLLVDFSSAEPAATREMAAELEARCGVRWVDAPVSGGTPGAESGSLAIMAGGRAADIERLRPVLSRLGQRLTRMGEVGAGQVTKVCNQMIVACNALVIAEVVALAERAGVDASLVAPALAGGFADSKPLQILAPQMAESRYEPVKWHVRTLLKDLDTAVKLSREQGAATPMSGLAAQLMRLHGSQGYLERDPATLVEQYRTAVE
Consensus
[pKd Mean = 9.62]
-1354
(s=574)
26
(s=6)
MSASLPSLAFAGLGLMGVPMCRRLLAAGYPLAVWNRSPGKRELLAAEGAKAVEVPAELAADAEILMLCLADTAAVREVVFGAGGIVENARPGQLLVDFSSAEPAATREMAAELEARCGVRWVDAPVSGGTPGAESGSLAIMAGGRAADIERLRPVLSRLGQRLTRMGEVGAGQVTKVCNQMIVACNALVIAEVVALAERAGVDASLVAPALAGGFADSKPLQILAPQMAESRYEPVKWHVRTLLKDLDTAVKLSREQGAATPMSGLAAQLMRLHGSQGYLERDPATLVEQYRTAVE