Study : Lmo1652 (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: ATP_A_5(1R10) / Model_84(1R10/A) = [3.1] Download483.118.00LKIYKALGWFFKENWKSYAFGVTILFTIALLQLVPPQIIGYTVDAVTNDSLTKDKLIKWMIILVVAAILAYGGRYVWRMLIFGSDNKLQRTLRLRLFEHFTKMSPFFFQRYRTGDLMAHATNDITAIQQVAGIGVLTLSDSVLTGGTVIATMAITIDWRLTLIALLPMPFMVLGSSILGKKLHDRFHGAQAAFSMLNDKTQESISGIKVTRTFGQEKEDIQDFAKQTKEVVQKNISVAKVDAMFDPMISIIVGVSFVLSLGFGAKFVVDGELTIGQVIAFSNYLFLLIWPMLAFGFLYNIIQRGNASYDRVQHLLAEKEDVLDQEGALDTVPVGDLQVTMDKFTYPDESEPVLADIHFNLKAGETLGIVGRTGSGKTSLLKLLMREYDTYEGKIAFANVKIQDYTVRALREAIGYVPQDQFLFSTTVRDNIRFGKPDAPQEEVTKIAKLVSVDEDILGFENGYDTIVGERGVSLSGGQKQRLAIARALIMNPELLILDDALSAVDAKTEEQILANLKENRSDKTTIISAHRLSSVEHANLIIVIDKGRIVERGTHMELMALDGWYAEMFREQQLEEALEEGGVADGSDE
Complex: ADP_F_6(1R0Y) / Model_87(1R0Y/B) = [3.2] Download888.0211.12LKIYKALGWFFKENWKSYAFGVTILFTIALLQLVPPQIIGYTVDAVTNDSLTKDKLIKWMIILVVAAILAYGGRYVWRMLIFGSDNKLQRTLRLRLFEHFTKMSPFFFQRYRTGDLMAHATNDITAIQQVAGIGVLTLSDSVLTGGTVIATMAITIDWRLTLIALLPMPFMVLGSSILGKKLHDRFHGAQAAFSMLNDKTQESISGIKVTRTFGQEKEDIQDFAKQTKEVVQKNISVAKVDAMFDPMISIIVGVSFVLSLGFGAKFVVDGELTIGQVIAFSNYLFLLIWPMLAFGFLYNIIQRGNASYDRVQHLLAEKEDVLDQEGALDTVPVGDLQVTMDKFTYPDESEPVLADIHFNLKAGETLGIVGRTGSGKTSLLKLLMREYDTYEGKIAFANVKIQDYTVRALREAIGYVPQDQFLFSTTVRDNIRFGKPDAPQEEVTKIAKLVSVDEDILGFENGYDTIVGERGVSLSGGQKQRLAIARALIMNPELLILDDALSAVDAKTEEQILANLKENRSDKTTIISAHRLSSVEHANLIIVIDKGRIVERGTHMELMALDGWYAEMFREQQLEEALEEGGVADGSDE
Complex: ATP_A_7(1MV5) / Model_60(1MV5/D) = [3.3] Download611.8617.00LKIYKALGWFFKENWKSYAFGVTILFTIALLQLVPPQIIGYTVDAVTNDSLTKDKLIKWMIILVVAAILAYGGRYVWRMLIFGSDNKLQRTLRLRLFEHFTKMSPFFFQRYRTGDLMAHATNDITAIQQVAGIGVLTLSDSVLTGGTVIATMAITIDWRLTLIALLPMPFMVLGSSILGKKLHDRFHGAQAAFSMLNDKTQESISGIKVTRTFGQEKEDIQDFAKQTKEVVQKNISVAKVDAMFDPMISIIVGVSFVLSLGFGAKFVVDGELTIGQVIAFSNYLFLLIWPMLAFGFLYNIIQRGNASYDRVQHLLAEKEDVLDQEGALDTVPVGDLQVTMDKFTYPDESEPVLADIHFNLKAGETLGIVGRTGSGKTSLLKLLMREYDTYEGKIAFANVKIQDYTVRALREAIGYVPQDQFLFSTTVRDNIRFGKPDAPQEEVTKIAKLVSVDEDILGFENGYDTIVGERGVSLSGGQKQRLAIARALIMNPELLILDDALSAVDAKTEEQILANLKENRSDKTTIISAHRLSSVEHANLIIVIDKGRIVERGTHMELMALDGWYAEMFREQQLEEALEEGGVADGSDE
Complex: ADP_E_5(1R0Y) / Model_88(1R0Y/A) = [3.3] Download721.1715.12LKIYKALGWFFKENWKSYAFGVTILFTIALLQLVPPQIIGYTVDAVTNDSLTKDKLIKWMIILVVAAILAYGGRYVWRMLIFGSDNKLQRTLRLRLFEHFTKMSPFFFQRYRTGDLMAHATNDITAIQQVAGIGVLTLSDSVLTGGTVIATMAITIDWRLTLIALLPMPFMVLGSSILGKKLHDRFHGAQAAFSMLNDKTQESISGIKVTRTFGQEKEDIQDFAKQTKEVVQKNISVAKVDAMFDPMISIIVGVSFVLSLGFGAKFVVDGELTIGQVIAFSNYLFLLIWPMLAFGFLYNIIQRGNASYDRVQHLLAEKEDVLDQEGALDTVPVGDLQVTMDKFTYPDESEPVLADIHFNLKAGETLGIVGRTGSGKTSLLKLLMREYDTYEGKIAFANVKIQDYTVRALREAIGYVPQDQFLFSTTVRDNIRFGKPDAPQEEVTKIAKLVSVDEDILGFENGYDTIVGERGVSLSGGQKQRLAIARALIMNPELLILDDALSAVDAKTEEQILANLKENRSDKTTIISAHRLSSVEHANLIIVIDKGRIVERGTHMELMALDGWYAEMFREQQLEEALEEGGVADGSDE
Complex: ADP_H_8(1R0Y) / Model_85(1R0Y/D) = [3.6] Download833.8811.12LKIYKALGWFFKENWKSYAFGVTILFTIALLQLVPPQIIGYTVDAVTNDSLTKDKLIKWMIILVVAAILAYGGRYVWRMLIFGSDNKLQRTLRLRLFEHFTKMSPFFFQRYRTGDLMAHATNDITAIQQVAGIGVLTLSDSVLTGGTVIATMAITIDWRLTLIALLPMPFMVLGSSILGKKLHDRFHGAQAAFSMLNDKTQESISGIKVTRTFGQEKEDIQDFAKQTKEVVQKNISVAKVDAMFDPMISIIVGVSFVLSLGFGAKFVVDGELTIGQVIAFSNYLFLLIWPMLAFGFLYNIIQRGNASYDRVQHLLAEKEDVLDQEGALDTVPVGDLQVTMDKFTYPDESEPVLADIHFNLKAGETLGIVGRTGSGKTSLLKLLMREYDTYEGKIAFANVKIQDYTVRALREAIGYVPQDQFLFSTTVRDNIRFGKPDAPQEEVTKIAKLVSVDEDILGFENGYDTIVGERGVSLSGGQKQRLAIARALIMNPELLILDDALSAVDAKTEEQILANLKENRSDKTTIISAHRLSSVEHANLIIVIDKGRIVERGTHMELMALDGWYAEMFREQQLEEALEEGGVADGSDE
Consensus
[pKd Mean = 3.30]
-707
(s=147)
12
(s=3)
LKIYKALGWFFKENWKSYAFGVTILFTIALLQLVPPQIIGYTVDAVTNDSLTKDKLIKWMIILVVAAILAYGGRYVWRMLIFGSDNKLQRTLRLRLFEHFTKMSPFFFQRYRTGDLMAHATNDITAIQQVAGIGVLTLSDSVLTGGTVIATMAITIDWRLTLIALLPMPFMVLGSSILGKKLHDRFHGAQAAFSMLNDKTQESISGIKVTRTFGQEKEDIQDFAKQTKEVVQKNISVAKVDAMFDPMISIIVGVSFVLSLGFGAKFVVDGELTIGQVIAFSNYLFLLIWPMLAFGFLYNIIQRGNASYDRVQHLLAEKEDVLDQEGALDTVPVGDLQVTMDKFTYPDESEPVLADIHFNLKAGETLGIVGRTGSGKTSLLKLLMREYDTYEGKIAFANVKIQDYTVRALREAIGYVPQDQFLFSTTVRDNIRFGKPDAPQEEVTKIAKLVSVDEDILGFENGYDTIVGERGVSLSGGQKQRLAIARALIMNPELLILDDALSAVDAKTEEQILANLKENRSDKTTIISAHRLSSVEHANLIIVIDKGRIVERGTHMELMALDGWYAEMFREQQLEEALEEGGVADGSDE