Study : Lmo0588 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: NACID_O_7(1TEZ) / Model_22(1TEZ/D) = [3.7] Download--MTSVMWFRRDLRVNDNKALYHACKEDDLLLLFQVNPAQFITGSPSHQAFFASVAHFKQEVDKTALLQIMFGEPVECLKQLKETLPSWDKVYFNRDETGYGAERDEAAKTFFDEQEIEVQAFHDSYLHSAEEVKKSPTEYYKIFTPYYKKWREEIKETPFKVTLKADNIRKENLFPKYEEQFAEMTCDLPILDSGEKTANTRLANFIKHDVADYDKARDFPELDKTSHLSRYLRTGEISVRTIWQALQENEATEGRAIFEKELCWRDFYNMIYVSFPNQKNEPIQENYRFIEWENNREFFKAWQEGKTGFPLVDAAMRQLKETGWMHNRLRMVTASFLTKDLLIDWRFGEKYFQQMLIDYDPASNIGGWQWAASTGTDAVPYFRIFNPTTQSQKFDPTGKFIRKYVKELANLPDKFIHQPEKMSEIEQKEYGLLLGKDYPFPLIDHKERRKLAIARYEFSKEHYRGNI
Complex: NACID_M_5(1TEZ) / Model_23(1TEZ/C) = [4.0] Download--MTSVMWFRRDLRVNDNKALYHACKEDDLLLLFQVNPAQFITGSPSHQAFFASVAHFKQEVDKTALLQIMFGEPVECLKQLKETLPSWDKVYFNRDETGYGAERDEAAKTFFDEQEIEVQAFHDSYLHSAEEVKKSPTEYYKIFTPYYKKWREEIKETPFKVTLKADNIRKENLFPKYEEQFAEMTCDLPILDSGEKTANTRLANFIKHDVADYDKARDFPELDKTSHLSRYLRTGEISVRTIWQALQENEATEGRAIFEKELCWRDFYNMIYVSFPNQKNEPIQENYRFIEWENNREFFKAWQEGKTGFPLVDAAMRQLKETGWMHNRLRMVTASFLTKDLLIDWRFGEKYFQQMLIDYDPASNIGGWQWAASTGTDAVPYFRIFNPTTQSQKFDPTGKFIRKYVKELANLPDKFIHQPEKMSEIEQKEYGLLLGKDYPFPLIDHKERRKLAIARYEFSKEHYRGNI
Complex: NACID_K_3(1TEZ) / Model_24(1TEZ/B) = [4.4] Download--MTSVMWFRRDLRVNDNKALYHACKEDDLLLLFQVNPAQFITGSPSHQAFFASVAHFKQEVDKTALLQIMFGEPVECLKQLKETLPSWDKVYFNRDETGYGAERDEAAKTFFDEQEIEVQAFHDSYLHSAEEVKKSPTEYYKIFTPYYKKWREEIKETPFKVTLKADNIRKENLFPKYEEQFAEMTCDLPILDSGEKTANTRLANFIKHDVADYDKARDFPELDKTSHLSRYLRTGEISVRTIWQALQENEATEGRAIFEKELCWRDFYNMIYVSFPNQKNEPIQENYRFIEWENNREFFKAWQEGKTGFPLVDAAMRQLKETGWMHNRLRMVTASFLTKDLLIDWRFGEKYFQQMLIDYDPASNIGGWQWAASTGTDAVPYFRIFNPTTQSQKFDPTGKFIRKYVKELANLPDKFIHQPEKMSEIEQKEYGLLLGKDYPFPLIDHKERRKLAIARYEFSKEHYRGNI
Complex: NACID_I_1(1TEZ) / Model_2(1TEZ/A) = [4.4] Download--MTSVMWFRRDLRVNDNKALYHACKEDDLLLLFQVNPAQFITGSPSHQAFFASVAHFKQEVDKTALLQIMFGEPVECLKQLKETLPSWDKVYFNRDETGYGAERDEAAKTFFDEQEIEVQAFHDSYLHSAEEVKKSPTEYYKIFTPYYKKWREEIKETPFKVTLKADNIRKENLFPKYEEQFAEMTCDLPILDSGEKTANTRLANFIKHDVADYDKARDFPELDKTSHLSRYLRTGEISVRTIWQALQENEATEGRAIFEKELCWRDFYNMIYVSFPNQKNEPIQENYRFIEWENNREFFKAWQEGKTGFPLVDAAMRQLKETGWMHNRLRMVTASFLTKDLLIDWRFGEKYFQQMLIDYDPASNIGGWQWAASTGTDAVPYFRIFNPTTQSQKFDPTGKFIRKYVKELANLPDKFIHQPEKMSEIEQKEYGLLLGKDYPFPLIDHKERRKLAIARYEFSKEHYRGNI
Complex: FAD_A_3(4U63) / Model_9(4U63/A) = [10.6] Download501.5520.59MTSVMWFRRDLRVNDNKALYHACKEDDLLLLFQVNPAQFITGSPSHQAFFASVAHFKQEVDKTALLQIMFGEPVECLKQLKETLPSWDKVYFNRDETGYGAERDEAAKTFFDEQEIEVQAFHDSYLHSAEEVKKSPTEYYKIFTPYYKKWREEIKETPFKVTLKADNIRKENLFPKYEEQFAEMTCDLPILDSGEKTANTRLANFIKHDVADYDKARDFPELDKTSHLSRYLRTGEISVRTIWQALQENEATEGRAIFEKELCWRDFYNMIYVSFPNQKNEPIQENYRFIEWENNREFFKAWQEGKTGFPLVDAAMRQLKETGWMHNRLRMVTASFLTKDLLIDWRFGEKYFQQMLIDYDPASNIGGWQWAASTGTDAVPYFRIFNPTTQSQKFDPTGKFIRKYVKELANLPDKFIHQPEKMSEIEQKEYGLLLGKDYPFPLIDHKERRKLAIARYEFSKEHYRGNI
Consensus
[pKd Mean = 5.42]
-501
(s=0)
20
(s=0)
MTSVMWFRRDLRVNDNKALYHACKEDDLLLLFQVNPAQFITGSPSHQAFFASVAHFKQEVDKTALLQIMFGEPVECLKQLKETLPSWDKVYFNRDETGYGAERDEAAKTFFDEQEIEVQAFHDSYLHSAEEVKKSPTEYYKIFTPYYKKWREEIKETPFKVTLKADNIRKENLFPKYEEQFAEMTCDLPILDSGEKTANTRLANFIKHDVADYDKARDFPELDKTSHLSRYLRTGEISVRTIWQALQENEATEGRAIFEKELCWRDFYNMIYVSFPNQKNEPIQENYRFIEWENNREFFKAWQEGKTGFPLVDAAMRQLKETGWMHNRLRMVTASFLTKDLLIDWRFGEKYFQQMLIDYDPASNIGGWQWAASTGTDAVPYFRIFNPTTQSQKFDPTGKFIRKYVKELANLPDKFIHQPEKMSEIEQKEYGLLLGKDYPFPLIDHKERRKLAIARYEFSKEHYRGNI