Study : PA3542 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: C2E_C_9(4RT0) / Model_7(4RT0/C) = [8.9] Download1267.266.50MNTAVNVNVVHESEAQRQFARVKLPARIRYIGANREGVDARLLDLSAGGFAFTASGAPIQPGDLYKGKLLFQVDSISFSLEVEFQVRSVDPASRRVGCEFQNLKPREVAALRYLITSYLAGEVIGVGDMLNTLQRENFTKARKQGGGNGGMGFFGRVRAVTLSTAIFVVGVGAFAFILNQMYNLYFVTHADSGVVSVPNQQITMPREGTVQSLLGPNAEVAKGAPIATFSANLLDMLKGNLTEEQLNPGNIEKLFGHQMKGTLTSPCDCRVVQQLVADGQYANKGQVIFTLAPRDSVASIEARFPYRNAAELAPGTRVNFQVAGDGVNRSGRIVNTAPVDGDLSSEIRVQIQPDQPLDAQYAGRPAEVSIGGLPGRTLLNKAVTLATAR
Complex: C2E_A_5(4RT0) / Model_1(4RT0/A) = [8.9] Download1484.085.15MNTAVNVNVVHESEAQRQFARVKLPARIRYIGANREGVDARLLDLSAGGFAFTASGAPIQPGDLYKGKLLFQVDSISFSLEVEFQVRSVDPASRRVGCEFQNLKPREVAALRYLITSYLAGEVIGVGDMLNTLQRENFTKARKQGGGNGGMGFFGRVRAVTLSTAIFVVGVGAFAFILNQMYNLYFVTHADSGVVSVPNQQITMPREGTVQSLLGPNAEVAKGAPIATFSANLLDMLKGNLTEEQLNPGNIEKLFGHQMKGTLTSPCDCRVVQQLVADGQYANKGQVIFTLAPRDSVASIEARFPYRNAAELAPGTRVNFQVAGDGVNRSGRIVNTAPVDGDLSSEIRVQIQPDQPLDAQYAGRPAEVSIGGLPGRTLLNKAVTLATAR
Complex: C2E_B_6(4RT1) / Model_6(4RT1/B) = [9.2] Download1542.538.21MNTAVNVNVVHESEAQRQFARVKLPARIRYIGANREGVDARLLDLSAGGFAFTASGAPIQPGDLYKGKLLFQVDSISFSLEVEFQVRSVDPASRRVGCEFQNLKPREVAALRYLITSYLAGEVIGVGDMLNTLQRENFTKARKQGGGNGGMGFFGRVRAVTLSTAIFVVGVGAFAFILNQMYNLYFVTHADSGVVSVPNQQITMPREGTVQSLLGPNAEVAKGAPIATFSANLLDMLKGNLTEEQLNPGNIEKLFGHQMKGTLTSPCDCRVVQQLVADGQYANKGQVIFTLAPRDSVASIEARFPYRNAAELAPGTRVNFQVAGDGVNRSGRIVNTAPVDGDLSSEIRVQIQPDQPLDAQYAGRPAEVSIGGLPGRTLLNKAVTLATAR
Complex: C2E_C_8(4RT1) / Model_5(4RT1/C) = [9.4] Download1307.738.21MNTAVNVNVVHESEAQRQFARVKLPARIRYIGANREGVDARLLDLSAGGFAFTASGAPIQPGDLYKGKLLFQVDSISFSLEVEFQVRSVDPASRRVGCEFQNLKPREVAALRYLITSYLAGEVIGVGDMLNTLQRENFTKARKQGGGNGGMGFFGRVRAVTLSTAIFVVGVGAFAFILNQMYNLYFVTHADSGVVSVPNQQITMPREGTVQSLLGPNAEVAKGAPIATFSANLLDMLKGNLTEEQLNPGNIEKLFGHQMKGTLTSPCDCRVVQQLVADGQYANKGQVIFTLAPRDSVASIEARFPYRNAAELAPGTRVNFQVAGDGVNRSGRIVNTAPVDGDLSSEIRVQIQPDQPLDAQYAGRPAEVSIGGLPGRTLLNKAVTLATAR
Complex: C2E_B_7(4RT0) / Model_8(4RT0/B) = [9.6] Download1281.108.32MNTAVNVNVVHESEAQRQFARVKLPARIRYIGANREGVDARLLDLSAGGFAFTASGAPIQPGDLYKGKLLFQVDSISFSLEVEFQVRSVDPASRRVGCEFQNLKPREVAALRYLITSYLAGEVIGVGDMLNTLQRENFTKARKQGGGNGGMGFFGRVRAVTLSTAIFVVGVGAFAFILNQMYNLYFVTHADSGVVSVPNQQITMPREGTVQSLLGPNAEVAKGAPIATFSANLLDMLKGNLTEEQLNPGNIEKLFGHQMKGTLTSPCDCRVVQQLVADGQYANKGQVIFTLAPRDSVASIEARFPYRNAAELAPGTRVNFQVAGDGVNRSGRIVNTAPVDGDLSSEIRVQIQPDQPLDAQYAGRPAEVSIGGLPGRTLLNKAVTLATAR
Consensus
[pKd Mean = 9.20]
-1376
(s=113)
7
(s=1)
MNTAVNVNVVHESEAQRQFARVKLPARIRYIGANREGVDARLLDLSAGGFAFTASGAPIQPGDLYKGKLLFQVDSISFSLEVEFQVRSVDPASRRVGCEFQNLKPREVAALRYLITSYLAGEVIGVGDMLNTLQRENFTKARKQGGGNGGMGFFGRVRAVTLSTAIFVVGVGAFAFILNQMYNLYFVTHADSGVVSVPNQQITMPREGTVQSLLGPNAEVAKGAPIATFSANLLDMLKGNLTEEQLNPGNIEKLFGHQMKGTLTSPCDCRVVQQLVADGQYANKGQVIFTLAPRDSVASIEARFPYRNAAELAPGTRVNFQVAGDGVNRSGRIVNTAPVDGDLSSEIRVQIQPDQPLDAQYAGRPAEVSIGGLPGRTLLNKAVTLATAR