Study : SA1694 (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: COA_C_11(4IEN) / Model_26(4IEN/C) = [3.7] Download1852.6526.76MTNQDRPMKSMSESKCYKNRQVFPQDTNHHHTMFGGTLMANIDEIAAITAMKHAGAQVVTASTDSVDFLKPIKTGDILQYVAMVSYAGTSSMEVVVQIRIDDVFNNKHDLAALSYLTFVALDDEGKPKHVPGVYPEDDVEKWFYDTAPQRVERRKARRIESKQTIEYLAQVQHIRD
Complex: COA_A_5(4IEN) / Model_8(4IEN/A) = [3.7] Download1663.2725.88MTNQDRPMKSMSESKCYKNRQVFPQDTNHHHTMFGGTLMANIDEIAAITAMKHAGAQVVTASTDSVDFLKPIKTGDILQYVAMVSYAGTSSMEVVVQIRIDDVFNNKHDLAALSYLTFVALDDEGKPKHVPGVYPEDDVEKWFYDTAPQRVERRKARRIESKQTIEYLAQVQHIRD
Complex: COA_D_15(4IEN) / Model_25(4IEN/D) = [3.9] Download1506.9626.76MTNQDRPMKSMSESKCYKNRQVFPQDTNHHHTMFGGTLMANIDEIAAITAMKHAGAQVVTASTDSVDFLKPIKTGDILQYVAMVSYAGTSSMEVVVQIRIDDVFNNKHDLAALSYLTFVALDDEGKPKHVPGVYPEDDVEKWFYDTAPQRVERRKARRIESKQTIEYLAQVQHIRD
Complex: COA_B_9(4IEN) / Model_27(4IEN/B) = [4.1] Download1862.8325.88MTNQDRPMKSMSESKCYKNRQVFPQDTNHHHTMFGGTLMANIDEIAAITAMKHAGAQVVTASTDSVDFLKPIKTGDILQYVAMVSYAGTSSMEVVVQIRIDDVFNNKHDLAALSYLTFVALDDEGKPKHVPGVYPEDDVEKWFYDTAPQRVERRKARRIESKQTIEYLAQVQHIRD
Complex: COA_A_8(1Y7U) / Model_32(1Y7U/A) = [5.3] Download1700.2018.05MTNQDRPMKSMSESKCYKNRQVFPQDTNHHHTMFGGTLMANIDEIAAITAMKHAGAQVVTASTDSVDFLKPIKTGDILQYVAMVSYAGTSSMEVVVQIRIDDVFNNKHDLAALSYLTFVALDDEGKPKHVPGVYPEDDVEKWFYDTAPQRVERRKARRIESKQTIEYLAQVQHIRD
Consensus
[pKd Mean = 4.14]
-1717
(s=131)
24
(s=3)
MTNQDRPMKSMSESKCYKNRQVFPQDTNHHHTMFGGTLMANIDEIAAITAMKHAGAQVVTASTDSVDFLKPIKTGDILQYVAMVSYAGTSSMEVVVQIRIDDVFNNKHDLAALSYLTFVALDDEGKPKHVPGVYPEDDVEKWFYDTAPQRVERRKARRIESKQTIEYLAQVQHIRD