Study : bsu32070 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: NAG_A_3(4WJT) / Model_18(4WJT/A) = [3.2] Download681.7622.38MMLNMIRRLLMTCLFLLAFGTTFLSVSGIEAKDLSKWVQEHQEKHLKHAGLRLKALQQKQTQTTSAAEDKTKPLEEAFDWDEYPVQRVTATGYTAGAESTGKNPGDPLYGLTYSGVKVKRDLYSTVAADPSVFPIGTILFIPNYGLGVVADTGSAIKGNRLDLYFETVKDVYNEWGKKTLDVYVIKKGTGKITEDELEKLNETKSLQVFRNQYKTVKE
Complex: NAG_A_3(4WJT) / Model_28(4WJT/A) = [3.2] Download681.7622.38MMLNMIRRLLMTCLFLLAFGTTFLSVSGIEAKDLSKWVQEHQEKHLKHAGLRLKALQQKQTQTTSAAEDKTKPLEEAFDWDEYPVQRVTATGYTAGAESTGKNPGDPLYGLTYSGVKVKRDLYSTVAADPSVFPIGTILFIPNYGLGVVADTGSAIKGNRLDLYFETVKDVYNEWGKKTLDVYVIKKGTGKITEDELEKLNETKSLQVFRNQYKTVKE
Complex: NAG_A_3(4WJT) / Model_1(4WJT/A) = [3.2] Download692.6522.38MMLNMIRRLLMTCLFLLAFGTTFLSVSGIEAKDLSKWVQEHQEKHLKHAGLRLKALQQKQTQTTSAAEDKTKPLEEAFDWDEYPVQRVTATGYTAGAESTGKNPGDPLYGLTYSGVKVKRDLYSTVAADPSVFPIGTILFIPNYGLGVVADTGSAIKGNRLDLYFETVKDVYNEWGKKTLDVYVIKKGTGKITEDELEKLNETKSLQVFRNQYKTVKE
Complex: 3QL_B_4(4WLK) / Model_17(4WLK/B) = [5.3] Download1279.3822.57MMLNMIRRLLMTCLFLLAFGTTFLSVSGIEAKDLSKWVQEHQEKHLKHAGLRLKALQQKQTQTTSAAEDKTKPLEEAFDWDEYPVQRVTATGYTAGAESTGKNPGDPLYGLTYSGVKVKRDLYSTVAADPSVFPIGTILFIPNYGLGVVADTGSAIKGNRLDLYFETVKDVYNEWGKKTLDVYVIKKGTGKITEDELEKLNETKSLQVFRNQYKTVKE
Complex: 3QL_A_3(4WLK) / Model_2(4WLK/A) = [5.4] Download1018.6918.61MMLNMIRRLLMTCLFLLAFGTTFLSVSGIEAKDLSKWVQEHQEKHLKHAGLRLKALQQKQTQTTSAAEDKTKPLEEAFDWDEYPVQRVTATGYTAGAESTGKNPGDPLYGLTYSGVKVKRDLYSTVAADPSVFPIGTILFIPNYGLGVVADTGSAIKGNRLDLYFETVKDVYNEWGKKTLDVYVIKKGTGKITEDELEKLNETKSLQVFRNQYKTVKE
Consensus
[pKd Mean = 4.06]
-870
(s=241)
21
(s=1)
MMLNMIRRLLMTCLFLLAFGTTFLSVSGIEAKDLSKWVQEHQEKHLKHAGLRLKALQQKQTQTTSAAEDKTKPLEEAFDWDEYPVQRVTATGYTAGAESTGKNPGDPLYGLTYSGVKVKRDLYSTVAADPSVFPIGTILFIPNYGLGVVADTGSAIKGNRLDLYFETVKDVYNEWGKKTLDVYVIKKGTGKITEDELEKLNETKSLQVFRNQYKTVKE