Study : PA4483 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: GLN_A_5(2F2A) / Model_10(2F2A/A) = [3.1] Download8569.2326.79MLHQLTLAEIARALADKQFSAEELTRTLLGRIRQLDPQLNSFISITDDLAIAQAKAADERRANGENGALLGAPIAHKDLFCTQGVRTSCGSKMLDNFVSPYDATVVEKLTAAGAVTLGKLNMDEFAMGSSNQSSHYGAVKNPWSLDRVPGGSSGGSAAAVAARLLPAATGTDTGGSIRQPAALTNLTGIKPTYGRVSRWGMIAYASSLDQGGPLARTAEDCALMLGVMAGFDPKDSTSVEQPVDDYLAALQKPLSGLRIGLPREYFGAGLDSRIADAVLAVVEELKTLGATVKDISLPNMQHAIPAYYVIAPAEASSNLSRFDGVRYGYRCDAPQNLEDLYKRSRAEGFGSEVKNRIMVGTYALSAGYYDAYYLQAQKIRRLIKNDFVSAFAEVDVILGPTTPNPAWKIGEKNDDPVSQYLEDIYTITANLAGLPGLSMPAGFVDGLPVGVQLLAPYFQEGRLLNVAHQYQQVSDWHTRTPAGF
Complex: GLN_A_4(4N0I) / Model_15(4N0I/A) = [3.7] Download7270.5725.07MLHQLTLAEIARALADKQFSAEELTRTLLGRIRQLDPQLNSFISITDDLAIAQAKAADERRANGENGALLGAPIAHKDLFCTQGVRTSCGSKMLDNFVSPYDATVVEKLTAAGAVTLGKLNMDEFAMGSSNQSSHYGAVKNPWSLDRVPGGSSGGSAAAVAARLLPAATGTDTGGSIRQPAALTNLTGIKPTYGRVSRWGMIAYASSLDQGGPLARTAEDCALMLGVMAGFDPKDSTSVEQPVDDYLAALQKPLSGLRIGLPREYFGAGLDSRIADAVLAVVEELKTLGATVKDISLPNMQHAIPAYYVIAPAEASSNLSRFDGVRYGYRCDAPQNLEDLYKRSRAEGFGSEVKNRIMVGTYALSAGYYDAYYLQAQKIRRLIKNDFVSAFAEVDVILGPTTPNPAWKIGEKNDDPVSQYLEDIYTITANLAGLPGLSMPAGFVDGLPVGVQLLAPYFQEGRLLNVAHQYQQVSDWHTRTPAGF
Complex: ASN_A_5(2DQN) / Model_6(2DQN/A) = [3.7] Download6857.4028.87MLHQLTLAEIARALADKQFSAEELTRTLLGRIRQLDPQLNSFISITDDLAIAQAKAADERRANGENGALLGAPIAHKDLFCTQGVRTSCGSKMLDNFVSPYDATVVEKLTAAGAVTLGKLNMDEFAMGSSNQSSHYGAVKNPWSLDRVPGGSSGGSAAAVAARLLPAATGTDTGGSIRQPAALTNLTGIKPTYGRVSRWGMIAYASSLDQGGPLARTAEDCALMLGVMAGFDPKDSTSVEQPVDDYLAALQKPLSGLRIGLPREYFGAGLDSRIADAVLAVVEELKTLGATVKDISLPNMQHAIPAYYVIAPAEASSNLSRFDGVRYGYRCDAPQNLEDLYKRSRAEGFGSEVKNRIMVGTYALSAGYYDAYYLQAQKIRRLIKNDFVSAFAEVDVILGPTTPNPAWKIGEKNDDPVSQYLEDIYTITANLAGLPGLSMPAGFVDGLPVGVQLLAPYFQEGRLLNVAHQYQQVSDWHTRTPAGF
Consensus
[pKd Mean = 3.50]
-7565
(s=729)
26
(s=1)
MLHQLTLAEIARALADKQFSAEELTRTLLGRIRQLDPQLNSFISITDDLAIAQAKAADERRANGENGALLGAPIAHKDLFCTQGVRTSCGSKMLDNFVSPYDATVVEKLTAAGAVTLGKLNMDEFAMGSSNQSSHYGAVKNPWSLDRVPGGSSGGSAAAVAARLLPAATGTDTGGSIRQPAALTNLTGIKPTYGRVSRWGMIAYASSLDQGGPLARTAEDCALMLGVMAGFDPKDSTSVEQPVDDYLAALQKPLSGLRIGLPREYFGAGLDSRIADAVLAVVEELKTLGATVKDISLPNMQHAIPAYYVIAPAEASSNLSRFDGVRYGYRCDAPQNLEDLYKRSRAEGFGSEVKNRIMVGTYALSAGYYDAYYLQAQKIRRLIKNDFVSAFAEVDVILGPTTPNPAWKIGEKNDDPVSQYLEDIYTITANLAGLPGLSMPAGFVDGLPVGVQLLAPYFQEGRLLNVAHQYQQVSDWHTRTPAGF