Study : Lmo2429 (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: ADP_A_5(2Q0H) / Model_33(2Q0H/A) = [3.2] Download562.6710.15MKSALELKNVSFSRKRDFEMKNVSASIPEGKITTLIGPNGSGKSTMLRLMMRLLTPDSGEILLNEKNITEIPSKDLAKKMTMLSQAPEGLVDVMVHDLVAYGRLPHRSWLSTLQEEDEAVIHWAIKVCNLEELAYRPLHSLSGGERQRAWLAMALAQKTPILLLDEPTTYLDIAHQLELLDLLVHLNKEYNLTIVLVLHDLNQAAIYSDHVFVCENGQLVKDGSPREVFTTELLRDVFHITADITEKDGKQHIHPLASTRFEY
Complex: AGS_B_6(3C4J) / Model_30(3C4J/B) = [3.3] Download731.0717.31MKSALELKNVSFSRKRDFEMKNVSASIPEGKITTLIGPNGSGKSTMLRLMMRLLTPDSGEILLNEKNITEIPSKDLAKKMTMLSQAPEGLVDVMVHDLVAYGRLPHRSWLSTLQEEDEAVIHWAIKVCNLEELAYRPLHSLSGGERQRAWLAMALAQKTPILLLDEPTTYLDIAHQLELLDLLVHLNKEYNLTIVLVLHDLNQAAIYSDHVFVCENGQLVKDGSPREVFTTELLRDVFHITADITEKDGKQHIHPLASTRFEY
Complex: ADP_B_6(2OLJ) / Model_42(2OLJ/B) = [3.5] Download658.581.77MKSALELKNVSFSRKRDFEMKNVSASIPEGKITTLIGPNGSGKSTMLRLMMRLLTPDSGEILLNEKNITEIPSKDLAKKMTMLSQAPEGLVDVMVHDLVAYGRLPHRSWLSTLQEEDEAVIHWAIKVCNLEELAYRPLHSLSGGERQRAWLAMALAQKTPILLLDEPTTYLDIAHQLELLDLLVHLNKEYNLTIVLVLHDLNQAAIYSDHVFVCENGQLVKDGSPREVFTTELLRDVFHITADITEKDGKQHIHPLASTRFEY
Complex: ANP_K_6(3C41) / Model_29(3C41/K) = [3.6] Download832.8515.71MKSALELKNVSFSRKRDFEMKNVSASIPEGKITTLIGPNGSGKSTMLRLMMRLLTPDSGEILLNEKNITEIPSKDLAKKMTMLSQAPEGLVDVMVHDLVAYGRLPHRSWLSTLQEEDEAVIHWAIKVCNLEELAYRPLHSLSGGERQRAWLAMALAQKTPILLLDEPTTYLDIAHQLELLDLLVHLNKEYNLTIVLVLHDLNQAAIYSDHVFVCENGQLVKDGSPREVFTTELLRDVFHITADITEKDGKQHIHPLASTRFEY
Complex: ADP_B_6(2Q0H) / Model_32(2Q0H/B) = [3.8] Download682.410.00MKSALELKNVSFSRKRDFEMKNVSASIPEGKITTLIGPNGSGKSTMLRLMMRLLTPDSGEILLNEKNITEIPSKDLAKKMTMLSQAPEGLVDVMVHDLVAYGRLPHRSWLSTLQEEDEAVIHWAIKVCNLEELAYRPLHSLSGGERQRAWLAMALAQKTPILLLDEPTTYLDIAHQLELLDLLVHLNKEYNLTIVLVLHDLNQAAIYSDHVFVCENGQLVKDGSPREVFTTELLRDVFHITADITEKDGKQHIHPLASTRFEY
Consensus
[pKd Mean = 3.48]
-693
(s=88)
8
(s=7)
MKSALELKNVSFSRKRDFEMKNVSASIPEGKITTLIGPNGSGKSTMLRLMMRLLTPDSGEILLNEKNITEIPSKDLAKKMTMLSQAPEGLVDVMVHDLVAYGRLPHRSWLSTLQEEDEAVIHWAIKVCNLEELAYRPLHSLSGGERQRAWLAMALAQKTPILLLDEPTTYLDIAHQLELLDLLVHLNKEYNLTIVLVLHDLNQAAIYSDHVFVCENGQLVKDGSPREVFTTELLRDVFHITADITEKDGKQHIHPLASTRFEY