Study : gbs0043 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: ACY_M_13(2FW1) / Model_38(2FW1/B) = [3.3] Download535.9319.13MKTPIISIIMGSKSDWGTMQKTAEVLDNFGIAYEKKVVSAHRAPDLMFKHAEEARGRGIKIIIAGAGGAAHLPGMVAAKTTLPVIGVPVKTRALSGLDSLYSIVQMPGGVPVATMAIGEAGATNAALTALRILSIEDQNLADALAHFHEEQGKIAEESSNELI
Complex: FMT_A_7(3LP6) / Model_78(3LP6/A) = [3.4] Download225.3012.27MKTPIISIIMGSKSDWGTMQKTAEVLDNFGIAYEKKVVSAHRAPDLMFKHAEEARGRGIKIIIAGAGGAAHLPGMVAAKTTLPVIGVPVKTRALSGLDSLYSIVQMPGGVPVATMAIGEAGATNAALTALRILSIEDQNLADALAHFHEEQGKIAEESSNELI
Complex: FMT_A_7(3LP6) / Model_10(3LP6/A) = [3.4] Download226.6312.27MKTPIISIIMGSKSDWGTMQKTAEVLDNFGIAYEKKVVSAHRAPDLMFKHAEEARGRGIKIIIAGAGGAAHLPGMVAAKTTLPVIGVPVKTRALSGLDSLYSIVQMPGGVPVATMAIGEAGATNAALTALRILSIEDQNLADALAHFHEEQGKIAEESSNELI
Complex: FMT_D_23(3LP6) / Model_34(3LP6/D) = [3.4] Download263.127.46MKTPIISIIMGSKSDWGTMQKTAEVLDNFGIAYEKKVVSAHRAPDLMFKHAEEARGRGIKIIIAGAGGAAHLPGMVAAKTTLPVIGVPVKTRALSGLDSLYSIVQMPGGVPVATMAIGEAGATNAALTALRILSIEDQNLADALAHFHEEQGKIAEESSNELI
Complex: GOL_B_9(3LP6) / Model_36(3LP6/B) = [3.6] Download675.3213.33MKTPIISIIMGSKSDWGTMQKTAEVLDNFGIAYEKKVVSAHRAPDLMFKHAEEARGRGIKIIIAGAGGAAHLPGMVAAKTTLPVIGVPVKTRALSGLDSLYSIVQMPGGVPVATMAIGEAGATNAALTALRILSIEDQNLADALAHFHEEQGKIAEESSNELI
Consensus
[pKd Mean = 3.42]
-385
(s=185)
12
(s=3)
MKTPIISIIMGSKSDWGTMQKTAEVLDNFGIAYEKKVVSAHRAPDLMFKHAEEARGRGIKIIIAGAGGAAHLPGMVAAKTTLPVIGVPVKTRALSGLDSLYSIVQMPGGVPVATMAIGEAGATNAALTALRILSIEDQNLADALAHFHEEQGKIAEESSNELI