Study : bsu38540 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NAP_C_9(3LF2) / Model_27(3LF2/C) = [6.5] Download1111.9315.36MKMTNNTVLITGGSAGIGLELAKRLLELGNEVIICGRSEARLAEAKQQLPNIHTKQCDVADRSQREALYEWALKEYPNLNVLVNNAGIQKEIDFKKGTEELFVDGDEIELNFQAPVHLSALFTPHLMKQPEAAIVQVTSGLAFNPLAVYPVYCATKAALHSFSLTLRHQLRDTSVEVIEMAPPMVDTGLNQKSRDKQGLTYRGISSEEYVQYFLDGLKEGKQEITNERVEGLRDATRADYDRLFEQMNTQEN
Complex: NAP_A_5(3LF2) / Model_10(3LF2/A) = [6.7] Download1222.8614.26MKMTNNTVLITGGSAGIGLELAKRLLELGNEVIICGRSEARLAEAKQQLPNIHTKQCDVADRSQREALYEWALKEYPNLNVLVNNAGIQKEIDFKKGTEELFVDGDEIELNFQAPVHLSALFTPHLMKQPEAAIVQVTSGLAFNPLAVYPVYCATKAALHSFSLTLRHQLRDTSVEVIEMAPPMVDTGLNQKSRDKQGLTYRGISSEEYVQYFLDGLKEGKQEITNERVEGLRDATRADYDRLFEQMNTQEN
Complex: NDP_E_5(1XKQ) / Model_11(1XKQ/A) = [10.2] Download1198.6923.84MKMTNNTVLITGGSAGIGLELAKRLLELGNEVIICGRSEARLAEAKQQLPNIHTKQCDVADRSQREALYEWALKEYPNLNVLVNNAGIQKEIDFKKGTEELFVDGDEIELNFQAPVHLSALFTPHLMKQPEAAIVQVTSGLAFNPLAVYPVYCATKAALHSFSLTLRHQLRDTSVEVIEMAPPMVDTGLNQKSRDKQGLTYRGISSEEYVQYFLDGLKEGKQEITNERVEGLRDATRADYDRLFEQMNTQEN
Consensus
[pKd Mean = 7.80]
-1177
(s=47)
17
(s=4)
MKMTNNTVLITGGSAGIGLELAKRLLELGNEVIICGRSEARLAEAKQQLPNIHTKQCDVADRSQREALYEWALKEYPNLNVLVNNAGIQKEIDFKKGTEELFVDGDEIELNFQAPVHLSALFTPHLMKQPEAAIVQVTSGLAFNPLAVYPVYCATKAALHSFSLTLRHQLRDTSVEVIEMAPPMVDTGLNQKSRDKQGLTYRGISSEEYVQYFLDGLKEGKQEITNERVEGLRDATRADYDRLFEQMNTQEN