Study : Rv2176 (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: EDO_A_6(2WEL) / Model_67(2WEL/A) = [3.3] Download762.0912.93MVEAGTRDPLESALLDSRYLVQAKIASGGTSTVYRGLDVRLDRPVALKVMDSRYAGDEQFLTRFRLEARAVARLNNRALVAVYDQGKDGRHPFLVMELIEGGTLRELLIERGPMPPHAVVAVLRPVLGGLAAAHRAGLVHRDVKPENILISDDGDVKLADFGLVRAVAAASITSTGVILGTAAYLSPEQVRDGNADPRSDVYSVGVLVYELLTGHTPFTGDSALSIAYQRLDADVPRASAVIDGVPPQFDELVACATARNPADRYADAIAMGADLEAIAEELALPEFRVPAPRNSAQHRSAALYRSRITQQGQLGAKPVHHPTRQLTRQPGDCSEPASGSEPEHEPITGQFAGIAIEEFIWARQHARRMVLVWVSVVLAITGLVASAAWTIGSNLSGLL
Complex: 1WU_A_3(4L6Q) / Model_71(4L6Q/A) = [3.7] Download1130.8618.69MVEAGTRDPLESALLDSRYLVQAKIASGGTSTVYRGLDVRLDRPVALKVMDSRYAGDEQFLTRFRLEARAVARLNNRALVAVYDQGKDGRHPFLVMELIEGGTLRELLIERGPMPPHAVVAVLRPVLGGLAAAHRAGLVHRDVKPENILISDDGDVKLADFGLVRAVAAASITSTGVILGTAAYLSPEQVRDGNADPRSDVYSVGVLVYELLTGHTPFTGDSALSIAYQRLDADVPRASAVIDGVPPQFDELVACATARNPADRYADAIAMGADLEAIAEELALPEFRVPAPRNSAQHRSAALYRSRITQQGQLGAKPVHHPTRQLTRQPGDCSEPASGSEPEHEPITGQFAGIAIEEFIWARQHARRMVLVWVSVVLAITGLVASAAWTIGSNLSGLL
Complex: ANP_A_7(3LIJ) / Model_68(3LIJ/A) = [3.7] Download1174.519.53MVEAGTRDPLESALLDSRYLVQAKIASGGTSTVYRGLDVRLDRPVALKVMDSRYAGDEQFLTRFRLEARAVARLNNRALVAVYDQGKDGRHPFLVMELIEGGTLRELLIERGPMPPHAVVAVLRPVLGGLAAAHRAGLVHRDVKPENILISDDGDVKLADFGLVRAVAAASITSTGVILGTAAYLSPEQVRDGNADPRSDVYSVGVLVYELLTGHTPFTGDSALSIAYQRLDADVPRASAVIDGVPPQFDELVACATARNPADRYADAIAMGADLEAIAEELALPEFRVPAPRNSAQHRSAALYRSRITQQGQLGAKPVHHPTRQLTRQPGDCSEPASGSEPEHEPITGQFAGIAIEEFIWARQHARRMVLVWVSVVLAITGLVASAAWTIGSNLSGLL
Complex: MIX_E_5(2FUM) / Model_2(2FUM/A) = [3.7] Download1352.2512.79MVEAGTRDPLESALLDSRYLVQAKIASGGTSTVYRGLDVRLDRPVALKVMDSRYAGDEQFLTRFRLEARAVARLNNRALVAVYDQGKDGRHPFLVMELIEGGTLRELLIERGPMPPHAVVAVLRPVLGGLAAAHRAGLVHRDVKPENILISDDGDVKLADFGLVRAVAAASITSTGVILGTAAYLSPEQVRDGNADPRSDVYSVGVLVYELLTGHTPFTGDSALSIAYQRLDADVPRASAVIDGVPPQFDELVACATARNPADRYADAIAMGADLEAIAEELALPEFRVPAPRNSAQHRSAALYRSRITQQGQLGAKPVHHPTRQLTRQPGDCSEPASGSEPEHEPITGQFAGIAIEEFIWARQHARRMVLVWVSVVLAITGLVASAAWTIGSNLSGLL
Complex: J60_A_7(3HZT) / Model_69(3HZT/A) = [3.7] Download987.2811.79MVEAGTRDPLESALLDSRYLVQAKIASGGTSTVYRGLDVRLDRPVALKVMDSRYAGDEQFLTRFRLEARAVARLNNRALVAVYDQGKDGRHPFLVMELIEGGTLRELLIERGPMPPHAVVAVLRPVLGGLAAAHRAGLVHRDVKPENILISDDGDVKLADFGLVRAVAAASITSTGVILGTAAYLSPEQVRDGNADPRSDVYSVGVLVYELLTGHTPFTGDSALSIAYQRLDADVPRASAVIDGVPPQFDELVACATARNPADRYADAIAMGADLEAIAEELALPEFRVPAPRNSAQHRSAALYRSRITQQGQLGAKPVHHPTRQLTRQPGDCSEPASGSEPEHEPITGQFAGIAIEEFIWARQHARRMVLVWVSVVLAITGLVASAAWTIGSNLSGLL
Consensus
[pKd Mean = 3.62]
-1081
(s=197)
13
(s=3)
MVEAGTRDPLESALLDSRYLVQAKIASGGTSTVYRGLDVRLDRPVALKVMDSRYAGDEQFLTRFRLEARAVARLNNRALVAVYDQGKDGRHPFLVMELIEGGTLRELLIERGPMPPHAVVAVLRPVLGGLAAAHRAGLVHRDVKPENILISDDGDVKLADFGLVRAVAAASITSTGVILGTAAYLSPEQVRDGNADPRSDVYSVGVLVYELLTGHTPFTGDSALSIAYQRLDADVPRASAVIDGVPPQFDELVACATARNPADRYADAIAMGADLEAIAEELALPEFRVPAPRNSAQHRSAALYRSRITQQGQLGAKPVHHPTRQLTRQPGDCSEPASGSEPEHEPITGQFAGIAIEEFIWARQHARRMVLVWVSVVLAITGLVASAAWTIGSNLSGLL