Study : Lmo1599 (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: NACID_B_1(2PUA) / Model_34(2PUA/A) = [3.1] Download--MNVTIYDVAREANVSMATVSRVVNGNPNVKPVTRKKVLDVINQLGYRPNAVARGLASKRTTTVGVIIPDISNVFYAELARGIEDIATMYKYNIILSNSDENEDKELQVLNTLLGKQVDGIIYMGERISEQLQEEFDRSPAPVVLAGAVDMENKFASVNIDYKQATKEAVKRFVDNGHKQIAFVSGSLNEPVNREMKLAGYKEALEEAGISYQEDYIIEAKYNYNAGVKVWAELSALSKKPNAVVVADDELAIGILNAALDAGIKVPEDLEVMTSNNTKLTLMSRPQLSTIVQPLYDIGAVAMRLLTKLMTSEEVDEKTVILPHSEKLRGTTKEKK
Complex: NACID_B_1(2PUC) / Model_32(2PUC/A) = [3.1] Download--MNVTIYDVAREANVSMATVSRVVNGNPNVKPVTRKKVLDVINQLGYRPNAVARGLASKRTTTVGVIIPDISNVFYAELARGIEDIATMYKYNIILSNSDENEDKELQVLNTLLGKQVDGIIYMGERISEQLQEEFDRSPAPVVLAGAVDMENKFASVNIDYKQATKEAVKRFVDNGHKQIAFVSGSLNEPVNREMKLAGYKEALEEAGISYQEDYIIEAKYNYNAGVKVWAELSALSKKPNAVVVADDELAIGILNAALDAGIKVPEDLEVMTSNNTKLTLMSRPQLSTIVQPLYDIGAVAMRLLTKLMTSEEVDEKTVILPHSEKLRGTTKEKK
Complex: CHAIN_O_1(1ZVV) / Model_5(1ZVV/A) = [3.1] Download--MNVTIYDVAREANVSMATVSRVVNGNPNVKPVTRKKVLDVINQLGYRPNAVARGLASKRTTTVGVIIPDISNVFYAELARGIEDIATMYKYNIILSNSDENEDKELQVLNTLLGKQVDGIIYMGERISEQLQEEFDRSPAPVVLAGAVDMENKFASVNIDYKQATKEAVKRFVDNGHKQIAFVSGSLNEPVNREMKLAGYKEALEEAGISYQEDYIIEAKYNYNAGVKVWAELSALSKKPNAVVVADDELAIGILNAALDAGIKVPEDLEVMTSNNTKLTLMSRPQLSTIVQPLYDIGAVAMRLLTKLMTSEEVDEKTVILPHSEKLRGTTKEKK
Complex: NACID_B_1(1BDH) / Model_15(1BDH/A) = [3.3] Download--MNVTIYDVAREANVSMATVSRVVNGNPNVKPVTRKKVLDVINQLGYRPNAVARGLASKRTTTVGVIIPDISNVFYAELARGIEDIATMYKYNIILSNSDENEDKELQVLNTLLGKQVDGIIYMGERISEQLQEEFDRSPAPVVLAGAVDMENKFASVNIDYKQATKEAVKRFVDNGHKQIAFVSGSLNEPVNREMKLAGYKEALEEAGISYQEDYIIEAKYNYNAGVKVWAELSALSKKPNAVVVADDELAIGILNAALDAGIKVPEDLEVMTSNNTKLTLMSRPQLSTIVQPLYDIGAVAMRLLTKLMTSEEVDEKTVILPHSEKLRGTTKEKK
Complex: NACID_B_1(2PUD) / Model_31(2PUD/A) = [3.4] Download--MNVTIYDVAREANVSMATVSRVVNGNPNVKPVTRKKVLDVINQLGYRPNAVARGLASKRTTTVGVIIPDISNVFYAELARGIEDIATMYKYNIILSNSDENEDKELQVLNTLLGKQVDGIIYMGERISEQLQEEFDRSPAPVVLAGAVDMENKFASVNIDYKQATKEAVKRFVDNGHKQIAFVSGSLNEPVNREMKLAGYKEALEEAGISYQEDYIIEAKYNYNAGVKVWAELSALSKKPNAVVVADDELAIGILNAALDAGIKVPEDLEVMTSNNTKLTLMSRPQLSTIVQPLYDIGAVAMRLLTKLMTSEEVDEKTVILPHSEKLRGTTKEKK
Consensus
[pKd Mean = 3.20]
-0
(s=0)
0
(s=0)
MNVTIYDVAREANVSMATVSRVVNGNPNVKPVTRKKVLDVINQLGYRPNAVARGLASKRTTTVGVIIPDISNVFYAELARGIEDIATMYKYNIILSNSDENEDKELQVLNTLLGKQVDGIIYMGERISEQLQEEFDRSPAPVVLAGAVDMENKFASVNIDYKQATKEAVKRFVDNGHKQIAFVSGSLNEPVNREMKLAGYKEALEEAGISYQEDYIIEAKYNYNAGVKVWAELSALSKKPNAVVVADDELAIGILNAALDAGIKVPEDLEVMTSNNTKLTLMSRPQLSTIVQPLYDIGAVAMRLLTKLMTSEEVDEKTVILPHSEKLRGTTKEKK