Study : bsu11190 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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: NAP_A_3(2I3G) / Model_8(2I3G/A) = [7.4] Download1638.5521.38MKIGIVGATGYGGTELVRILSHHPHAEECILYSSSGEGNVYSEGYPHLTGLADQQLKPIDMNTIKHEIDIMFLAAPPGVSSELTPKLADAGITVIDLSGDLRIKEPAEYEKWYKRTAAPKAVIQEAVYGLAELNQLQIQQAKLIANPGCFPTAVLLGLAPLAQKKLLDESFVIVDAKTGVSGAGRKASMGTHFSELNDNFKIYKVNEHQHTPEIEQALNEWQPGLGPITFSAHLVPMTRGIMATMYTRLTCDLTADDLHDLYSEFYQDSYFVRVRPKGQYPQTKEVYGSNFCDIAVTLDERTNRVTIVSVIDNLMKGAAGQAVQNFNLMNGWNEETGLTITPIYP
Complex: NAP_B_4(2I3G) / Model_21(2I3G/B) = [8.5] Download1725.5221.38MKIGIVGATGYGGTELVRILSHHPHAEECILYSSSGEGNVYSEGYPHLTGLADQQLKPIDMNTIKHEIDIMFLAAPPGVSSELTPKLADAGITVIDLSGDLRIKEPAEYEKWYKRTAAPKAVIQEAVYGLAELNQLQIQQAKLIANPGCFPTAVLLGLAPLAQKKLLDESFVIVDAKTGVSGAGRKASMGTHFSELNDNFKIYKVNEHQHTPEIEQALNEWQPGLGPITFSAHLVPMTRGIMATMYTRLTCDLTADDLHDLYSEFYQDSYFVRVRPKGQYPQTKEVYGSNFCDIAVTLDERTNRVTIVSVIDNLMKGAAGQAVQNFNLMNGWNEETGLTITPIYP
Complex: NAP_B_17(5EIN) / Model_26(5EIN/B) = [9.0] Download1792.4523.77MKIGIVGATGYGGTELVRILSHHPHAEECILYSSSGEGNVYSEGYPHLTGLADQQLKPIDMNTIKHEIDIMFLAAPPGVSSELTPKLADAGITVIDLSGDLRIKEPAEYEKWYKRTAAPKAVIQEAVYGLAELNQLQIQQAKLIANPGCFPTAVLLGLAPLAQKKLLDESFVIVDAKTGVSGAGRKASMGTHFSELNDNFKIYKVNEHQHTPEIEQALNEWQPGLGPITFSAHLVPMTRGIMATMYTRLTCDLTADDLHDLYSEFYQDSYFVRVRPKGQYPQTKEVYGSNFCDIAVTLDERTNRVTIVSVIDNLMKGAAGQAVQNFNLMNGWNEETGLTITPIYP
Complex: NAP_A_4(5EIO) / Model_10(5EIO/A) = [9.1] Download1402.5923.33MKIGIVGATGYGGTELVRILSHHPHAEECILYSSSGEGNVYSEGYPHLTGLADQQLKPIDMNTIKHEIDIMFLAAPPGVSSELTPKLADAGITVIDLSGDLRIKEPAEYEKWYKRTAAPKAVIQEAVYGLAELNQLQIQQAKLIANPGCFPTAVLLGLAPLAQKKLLDESFVIVDAKTGVSGAGRKASMGTHFSELNDNFKIYKVNEHQHTPEIEQALNEWQPGLGPITFSAHLVPMTRGIMATMYTRLTCDLTADDLHDLYSEFYQDSYFVRVRPKGQYPQTKEVYGSNFCDIAVTLDERTNRVTIVSVIDNLMKGAAGQAVQNFNLMNGWNEETGLTITPIYP
Complex: NAP_B_7(5EIO) / Model_25(5EIO/B) = [9.3] Download1630.7123.71MKIGIVGATGYGGTELVRILSHHPHAEECILYSSSGEGNVYSEGYPHLTGLADQQLKPIDMNTIKHEIDIMFLAAPPGVSSELTPKLADAGITVIDLSGDLRIKEPAEYEKWYKRTAAPKAVIQEAVYGLAELNQLQIQQAKLIANPGCFPTAVLLGLAPLAQKKLLDESFVIVDAKTGVSGAGRKASMGTHFSELNDNFKIYKVNEHQHTPEIEQALNEWQPGLGPITFSAHLVPMTRGIMATMYTRLTCDLTADDLHDLYSEFYQDSYFVRVRPKGQYPQTKEVYGSNFCDIAVTLDERTNRVTIVSVIDNLMKGAAGQAVQNFNLMNGWNEETGLTITPIYP
Consensus
[pKd Mean = 8.66]
-1637
(s=131)
22
(s=1)
MKIGIVGATGYGGTELVRILSHHPHAEECILYSSSGEGNVYSEGYPHLTGLADQQLKPIDMNTIKHEIDIMFLAAPPGVSSELTPKLADAGITVIDLSGDLRIKEPAEYEKWYKRTAAPKAVIQEAVYGLAELNQLQIQQAKLIANPGCFPTAVLLGLAPLAQKKLLDESFVIVDAKTGVSGAGRKASMGTHFSELNDNFKIYKVNEHQHTPEIEQALNEWQPGLGPITFSAHLVPMTRGIMATMYTRLTCDLTADDLHDLYSEFYQDSYFVRVRPKGQYPQTKEVYGSNFCDIAVTLDERTNRVTIVSVIDNLMKGAAGQAVQNFNLMNGWNEETGLTITPIYP