Study : PA1833 (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: NDP_C_7(1O8C) / Model_23(1O8C/C) = [9.6] Download1353.6629.14MAVFKALWVTEAPHGVYETQVVERDTGDLPAGDVLIRVQYSSLNYKDALSASGNRGVTRKYPHTPGIDAAGVVAESSVAEFAAGDEVIVTGYDLGMNTAGGFGQYIRVPAAWVIKRPQGLSLREAMILGTAGLTAALCVEKLERSGLRPDHGSVLVTGASGGVGSIAVELLAKLGYTVAAATGKLEQAEFLNRLGAKQILDRATVADGVDKPLLKEQWAGAVDTVGGDILFNVVKSLQYGGSVACCGLTAGAGFKASVLPFILRGVNLLGVDSVELPLVVKASMWDKLSLQWKLDNLEEVAREIALEELPGAINQILAGKLVGRVLVNLG
Complex: NDP_D_8(1O8C) / Model_22(1O8C/D) = [9.9] Download1734.2129.55MAVFKALWVTEAPHGVYETQVVERDTGDLPAGDVLIRVQYSSLNYKDALSASGNRGVTRKYPHTPGIDAAGVVAESSVAEFAAGDEVIVTGYDLGMNTAGGFGQYIRVPAAWVIKRPQGLSLREAMILGTAGLTAALCVEKLERSGLRPDHGSVLVTGASGGVGSIAVELLAKLGYTVAAATGKLEQAEFLNRLGAKQILDRATVADGVDKPLLKEQWAGAVDTVGGDILFNVVKSLQYGGSVACCGLTAGAGFKASVLPFILRGVNLLGVDSVELPLVVKASMWDKLSLQWKLDNLEEVAREIALEELPGAINQILAGKLVGRVLVNLG
Complex: NDP_B_6(1O8C) / Model_24(1O8C/B) = [10.2] Download1655.4630.05MAVFKALWVTEAPHGVYETQVVERDTGDLPAGDVLIRVQYSSLNYKDALSASGNRGVTRKYPHTPGIDAAGVVAESSVAEFAAGDEVIVTGYDLGMNTAGGFGQYIRVPAAWVIKRPQGLSLREAMILGTAGLTAALCVEKLERSGLRPDHGSVLVTGASGGVGSIAVELLAKLGYTVAAATGKLEQAEFLNRLGAKQILDRATVADGVDKPLLKEQWAGAVDTVGGDILFNVVKSLQYGGSVACCGLTAGAGFKASVLPFILRGVNLLGVDSVELPLVVKASMWDKLSLQWKLDNLEEVAREIALEELPGAINQILAGKLVGRVLVNLG
Complex: NDP_A_5(1O8C) / Model_5(1O8C/A) = [10.3] Download1472.7130.05MAVFKALWVTEAPHGVYETQVVERDTGDLPAGDVLIRVQYSSLNYKDALSASGNRGVTRKYPHTPGIDAAGVVAESSVAEFAAGDEVIVTGYDLGMNTAGGFGQYIRVPAAWVIKRPQGLSLREAMILGTAGLTAALCVEKLERSGLRPDHGSVLVTGASGGVGSIAVELLAKLGYTVAAATGKLEQAEFLNRLGAKQILDRATVADGVDKPLLKEQWAGAVDTVGGDILFNVVKSLQYGGSVACCGLTAGAGFKASVLPFILRGVNLLGVDSVELPLVVKASMWDKLSLQWKLDNLEEVAREIALEELPGAINQILAGKLVGRVLVNLG
Complex: NAP_A_3(3NX4) / Model_36(3NX4/A) = [10.4] Download1685.2328.32MAVFKALWVTEAPHGVYETQVVERDTGDLPAGDVLIRVQYSSLNYKDALSASGNRGVTRKYPHTPGIDAAGVVAESSVAEFAAGDEVIVTGYDLGMNTAGGFGQYIRVPAAWVIKRPQGLSLREAMILGTAGLTAALCVEKLERSGLRPDHGSVLVTGASGGVGSIAVELLAKLGYTVAAATGKLEQAEFLNRLGAKQILDRATVADGVDKPLLKEQWAGAVDTVGGDILFNVVKSLQYGGSVACCGLTAGAGFKASVLPFILRGVNLLGVDSVELPLVVKASMWDKLSLQWKLDNLEEVAREIALEELPGAINQILAGKLVGRVLVNLG
Consensus
[pKd Mean = 10.08]
-1580
(s=143)
29
(s=0)
MAVFKALWVTEAPHGVYETQVVERDTGDLPAGDVLIRVQYSSLNYKDALSASGNRGVTRKYPHTPGIDAAGVVAESSVAEFAAGDEVIVTGYDLGMNTAGGFGQYIRVPAAWVIKRPQGLSLREAMILGTAGLTAALCVEKLERSGLRPDHGSVLVTGASGGVGSIAVELLAKLGYTVAAATGKLEQAEFLNRLGAKQILDRATVADGVDKPLLKEQWAGAVDTVGGDILFNVVKSLQYGGSVACCGLTAGAGFKASVLPFILRGVNLLGVDSVELPLVVKASMWDKLSLQWKLDNLEEVAREIALEELPGAINQILAGKLVGRVLVNLG