Study : Wbm0042 (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: 3JM_A_7(4R54) / Model_24(4R54/A) = [3.3] Download1197.0610.32MGQKIAVVGATGRVGHEVLSILAEFQDEGKISIDSVITFASKKSKGKKVSFGNEELTVLCLENYDFADIDIAIFCAGYHVSEKYVPIATEAGCIVIDNSSYFRMKEGVPLIIPEINKEKIMEYKNHNIISNPNCTIIQMLLVLHLLYQKAKIKRIVASTYQSTSGAGKAAMDELYNQTKKIFTNEAKKPEIFPKQIAFNCIPHIGEFMEDGSTKEEWKMQEETKKILEADIKVTATCVRVPVFIGHAIAVNVEFYQHITEEQAREMLSEVEDTGILVYDRRKDGKYITQIDVVQENAVYVSRIRKDNTVEHGLNMWIVADNLRKGAALNIVQILEILTREHLSIKCI
Complex: 11C_A_3(3PWS) / Model_11(3PWS/A) = [3.3] Download571.5210.95MGQKIAVVGATGRVGHEVLSILAEFQDEGKISIDSVITFASKKSKGKKVSFGNEELTVLCLENYDFADIDIAIFCAGYHVSEKYVPIATEAGCIVIDNSSYFRMKEGVPLIIPEINKEKIMEYKNHNIISNPNCTIIQMLLVLHLLYQKAKIKRIVASTYQSTSGAGKAAMDELYNQTKKIFTNEAKKPEIFPKQIAFNCIPHIGEFMEDGSTKEEWKMQEETKKILEADIKVTATCVRVPVFIGHAIAVNVEFYQHITEEQAREMLSEVEDTGILVYDRRKDGKYITQIDVVQENAVYVSRIRKDNTVEHGLNMWIVADNLRKGAALNIVQILEILTREHLSIKCI
Complex: 12T_B_13(3PYX) / Model_36(3PYX/B) = [3.4] Download668.267.92MGQKIAVVGATGRVGHEVLSILAEFQDEGKISIDSVITFASKKSKGKKVSFGNEELTVLCLENYDFADIDIAIFCAGYHVSEKYVPIATEAGCIVIDNSSYFRMKEGVPLIIPEINKEKIMEYKNHNIISNPNCTIIQMLLVLHLLYQKAKIKRIVASTYQSTSGAGKAAMDELYNQTKKIFTNEAKKPEIFPKQIAFNCIPHIGEFMEDGSTKEEWKMQEETKKILEADIKVTATCVRVPVFIGHAIAVNVEFYQHITEEQAREMLSEVEDTGILVYDRRKDGKYITQIDVVQENAVYVSRIRKDNTVEHGLNMWIVADNLRKGAALNIVQILEILTREHLSIKCI
Complex: 3GQ_B_13(4R3N) / Model_30(4R3N/B) = [3.4] Download972.502.95MGQKIAVVGATGRVGHEVLSILAEFQDEGKISIDSVITFASKKSKGKKVSFGNEELTVLCLENYDFADIDIAIFCAGYHVSEKYVPIATEAGCIVIDNSSYFRMKEGVPLIIPEINKEKIMEYKNHNIISNPNCTIIQMLLVLHLLYQKAKIKRIVASTYQSTSGAGKAAMDELYNQTKKIFTNEAKKPEIFPKQIAFNCIPHIGEFMEDGSTKEEWKMQEETKKILEADIKVTATCVRVPVFIGHAIAVNVEFYQHITEEQAREMLSEVEDTGILVYDRRKDGKYITQIDVVQENAVYVSRIRKDNTVEHGLNMWIVADNLRKGAALNIVQILEILTREHLSIKCI
Complex: 3JN_A_9(4R5H) / Model_22(4R5H/A) = [3.7] Download639.935.64MGQKIAVVGATGRVGHEVLSILAEFQDEGKISIDSVITFASKKSKGKKVSFGNEELTVLCLENYDFADIDIAIFCAGYHVSEKYVPIATEAGCIVIDNSSYFRMKEGVPLIIPEINKEKIMEYKNHNIISNPNCTIIQMLLVLHLLYQKAKIKRIVASTYQSTSGAGKAAMDELYNQTKKIFTNEAKKPEIFPKQIAFNCIPHIGEFMEDGSTKEEWKMQEETKKILEADIKVTATCVRVPVFIGHAIAVNVEFYQHITEEQAREMLSEVEDTGILVYDRRKDGKYITQIDVVQENAVYVSRIRKDNTVEHGLNMWIVADNLRKGAALNIVQILEILTREHLSIKCI
Consensus
[pKd Mean = 3.42]
-809
(s=237)
7
(s=3)
MGQKIAVVGATGRVGHEVLSILAEFQDEGKISIDSVITFASKKSKGKKVSFGNEELTVLCLENYDFADIDIAIFCAGYHVSEKYVPIATEAGCIVIDNSSYFRMKEGVPLIIPEINKEKIMEYKNHNIISNPNCTIIQMLLVLHLLYQKAKIKRIVASTYQSTSGAGKAAMDELYNQTKKIFTNEAKKPEIFPKQIAFNCIPHIGEFMEDGSTKEEWKMQEETKKILEADIKVTATCVRVPVFIGHAIAVNVEFYQHITEEQAREMLSEVEDTGILVYDRRKDGKYITQIDVVQENAVYVSRIRKDNTVEHGLNMWIVADNLRKGAALNIVQILEILTREHLSIKCI