Study : PA1796 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: IMD_B_7(3L07) / Model_21(3L07/B) = [3.7] Download435.9037.25MTAQLIDGKAIAANLRQQIAQRVTERRQQGLRVPGLAVILVGTDPASQVYVAHKRKDCEEVGFLSQAYDLPAETSQDDLLALIDRLNDDPAIDGILVQLPLPAHLDASLLLERIHPDKDVDGFHPYNIGRLAQRMPLLRPCTPKGIMTLLASTGADLYGMDAVVVGASNIVGRPMALELLLGGCTVTVTHRFTRDLADHVSRADLVVVAAGKPGLVKGEWIKEGAIVIDVGINRQADGRLVGDVEYEVAAQRASWITPVPGGVGPMTRACLLENTLHAAEHLHD
Complex: IMD_A_4(3L07) / Model_66(3L07/A) = [3.8] Download687.6036.64MTAQLIDGKAIAANLRQQIAQRVTERRQQGLRVPGLAVILVGTDPASQVYVAHKRKDCEEVGFLSQAYDLPAETSQDDLLALIDRLNDDPAIDGILVQLPLPAHLDASLLLERIHPDKDVDGFHPYNIGRLAQRMPLLRPCTPKGIMTLLASTGADLYGMDAVVVGASNIVGRPMALELLLGGCTVTVTHRFTRDLADHVSRADLVVVAAGKPGLVKGEWIKEGAIVIDVGINRQADGRLVGDVEYEVAAQRASWITPVPGGVGPMTRACLLENTLHAAEHLHD
Complex: L24_A_5(1DIA) / Model_7(1DIA/A) = [4.2] Download2093.6539.77MTAQLIDGKAIAANLRQQIAQRVTERRQQGLRVPGLAVILVGTDPASQVYVAHKRKDCEEVGFLSQAYDLPAETSQDDLLALIDRLNDDPAIDGILVQLPLPAHLDASLLLERIHPDKDVDGFHPYNIGRLAQRMPLLRPCTPKGIMTLLASTGADLYGMDAVVVGASNIVGRPMALELLLGGCTVTVTHRFTRDLADHVSRADLVVVAAGKPGLVKGEWIKEGAIVIDVGINRQADGRLVGDVEYEVAAQRASWITPVPGGVGPMTRACLLENTLHAAEHLHD
Complex: L37_A_6(1DIG) / Model_9(1DIG/A) = [4.3] Download1494.3437.68MTAQLIDGKAIAANLRQQIAQRVTERRQQGLRVPGLAVILVGTDPASQVYVAHKRKDCEEVGFLSQAYDLPAETSQDDLLALIDRLNDDPAIDGILVQLPLPAHLDASLLLERIHPDKDVDGFHPYNIGRLAQRMPLLRPCTPKGIMTLLASTGADLYGMDAVVVGASNIVGRPMALELLLGGCTVTVTHRFTRDLADHVSRADLVVVAAGKPGLVKGEWIKEGAIVIDVGINRQADGRLVGDVEYEVAAQRASWITPVPGGVGPMTRACLLENTLHAAEHLHD
Complex: 9L9_B_9(4B4W) / Model_28(4B4W/B) = [5.1] Download1453.2234.79MTAQLIDGKAIAANLRQQIAQRVTERRQQGLRVPGLAVILVGTDPASQVYVAHKRKDCEEVGFLSQAYDLPAETSQDDLLALIDRLNDDPAIDGILVQLPLPAHLDASLLLERIHPDKDVDGFHPYNIGRLAQRMPLLRPCTPKGIMTLLASTGADLYGMDAVVVGASNIVGRPMALELLLGGCTVTVTHRFTRDLADHVSRADLVVVAAGKPGLVKGEWIKEGAIVIDVGINRQADGRLVGDVEYEVAAQRASWITPVPGGVGPMTRACLLENTLHAAEHLHD
Consensus
[pKd Mean = 4.22]
-1232
(s=598)
37
(s=1)
MTAQLIDGKAIAANLRQQIAQRVTERRQQGLRVPGLAVILVGTDPASQVYVAHKRKDCEEVGFLSQAYDLPAETSQDDLLALIDRLNDDPAIDGILVQLPLPAHLDASLLLERIHPDKDVDGFHPYNIGRLAQRMPLLRPCTPKGIMTLLASTGADLYGMDAVVVGASNIVGRPMALELLLGGCTVTVTHRFTRDLADHVSRADLVVVAAGKPGLVKGEWIKEGAIVIDVGINRQADGRLVGDVEYEVAAQRASWITPVPGGVGPMTRACLLENTLHAAEHLHD