Study : bsu25580 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: DCP_A_13(2HVW) / Model_85(2HVW/A) = [3.9] Download1183.2713.50MERISWNQYFMAQSHLLALRSTCPRLSVGATIVRDKRMIAGGYNGSIAGGVHCADEGCLMIDDHCARTIHAEMNAILQCSKFGVPTDGAEIYVTHYPCIQCCKSIIQAGIKTVYYAEDYKTHPYAQELFEQAGVTVEQVELDEMIVDLKNREKLSFVAGLIGKLADAGLAEEELKKIHEQANTLFTSYV
Complex: DCP_A_13(2HVW) / Model_95(2HVW/A) = [3.9] Download1123.6713.50MERISWNQYFMAQSHLLALRSTCPRLSVGATIVRDKRMIAGGYNGSIAGGVHCADEGCLMIDDHCARTIHAEMNAILQCSKFGVPTDGAEIYVTHYPCIQCCKSIIQAGIKTVYYAEDYKTHPYAQELFEQAGVTVEQVELDEMIVDLKNREKLSFVAGLIGKLADAGLAEEELKKIHEQANTLFTSYV
Complex: DCP_C_19(2HVW) / Model_21(2HVW/C) = [3.9] Download1137.5613.50MERISWNQYFMAQSHLLALRSTCPRLSVGATIVRDKRMIAGGYNGSIAGGVHCADEGCLMIDDHCARTIHAEMNAILQCSKFGVPTDGAEIYVTHYPCIQCCKSIIQAGIKTVYYAEDYKTHPYAQELFEQAGVTVEQVELDEMIVDLKNREKLSFVAGLIGKLADAGLAEEELKKIHEQANTLFTSYV
Complex: DCP_B_16(2HVW) / Model_22(2HVW/B) = [4.3] Download1217.2814.29MERISWNQYFMAQSHLLALRSTCPRLSVGATIVRDKRMIAGGYNGSIAGGVHCADEGCLMIDDHCARTIHAEMNAILQCSKFGVPTDGAEIYVTHYPCIQCCKSIIQAGIKTVYYAEDYKTHPYAQELFEQAGVTVEQVELDEMIVDLKNREKLSFVAGLIGKLADAGLAEEELKKIHEQANTLFTSYV
Complex: DDN_A_14(2HVW) / Model_2(2HVW/A) = [7.8] Download473.667.24MERISWNQYFMAQSHLLALRSTCPRLSVGATIVRDKRMIAGGYNGSIAGGVHCADEGCLMIDDHCARTIHAEMNAILQCSKFGVPTDGAEIYVTHYPCIQCCKSIIQAGIKTVYYAEDYKTHPYAQELFEQAGVTVEQVELDEMIVDLKNREKLSFVAGLIGKLADAGLAEEELKKIHEQANTLFTSYV
Consensus
[pKd Mean = 4.76]
-1027
(s=278)
12
(s=2)
MERISWNQYFMAQSHLLALRSTCPRLSVGATIVRDKRMIAGGYNGSIAGGVHCADEGCLMIDDHCARTIHAEMNAILQCSKFGVPTDGAEIYVTHYPCIQCCKSIIQAGIKTVYYAEDYKTHPYAQELFEQAGVTVEQVELDEMIVDLKNREKLSFVAGLIGKLADAGLAEEELKKIHEQANTLFTSYV