Study : J2XSJ3_9PSED (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: KAN_A_9(1ND4) / Model_70(1ND4/A) = [4.1] Download1503.610.30MNLPDAWRRTFADAVIEQQTIGESRADVWRISPADSAALFVKCEQVMTWGELPGEVQRLRWLETLDLPAPRVLETTTEAEHNWLLMTAVPGRDLASSEQLSPLQIVTLTAQALRELHAVAIDSCPFDHCLDKKIPLAREHVRAGLIDEEDFDDARLGRSAEDVFQQLLAERPPHEELVVTHGDACLPNLLAEHGRFSGFVDCGRLGVADRYQDLALAAHSITDNLGEQWLPAFFEAYGVQPDQRRIAFYQLLDEFF
Complex: KAN_A_9(1ND4) / Model_38(1ND4/A) = [4.1] Download1600.410.30MNLPDAWRRTFADAVIEQQTIGESRADVWRISPADSAALFVKCEQVMTWGELPGEVQRLRWLETLDLPAPRVLETTTEAEHNWLLMTAVPGRDLASSEQLSPLQIVTLTAQALRELHAVAIDSCPFDHCLDKKIPLAREHVRAGLIDEEDFDDARLGRSAEDVFQQLLAERPPHEELVVTHGDACLPNLLAEHGRFSGFVDCGRLGVADRYQDLALAAHSITDNLGEQWLPAFFEAYGVQPDQRRIAFYQLLDEFF
Complex: KAN_A_9(1ND4) / Model_1(1ND4/A) = [4.1] Download1763.930.30MNLPDAWRRTFADAVIEQQTIGESRADVWRISPADSAALFVKCEQVMTWGELPGEVQRLRWLETLDLPAPRVLETTTEAEHNWLLMTAVPGRDLASSEQLSPLQIVTLTAQALRELHAVAIDSCPFDHCLDKKIPLAREHVRAGLIDEEDFDDARLGRSAEDVFQQLLAERPPHEELVVTHGDACLPNLLAEHGRFSGFVDCGRLGVADRYQDLALAAHSITDNLGEQWLPAFFEAYGVQPDQRRIAFYQLLDEFF
Complex: KAN_B_10(1ND4) / Model_21(1ND4/B) = [4.5] Download1820.390.30MNLPDAWRRTFADAVIEQQTIGESRADVWRISPADSAALFVKCEQVMTWGELPGEVQRLRWLETLDLPAPRVLETTTEAEHNWLLMTAVPGRDLASSEQLSPLQIVTLTAQALRELHAVAIDSCPFDHCLDKKIPLAREHVRAGLIDEEDFDDARLGRSAEDVFQQLLAERPPHEELVVTHGDACLPNLLAEHGRFSGFVDCGRLGVADRYQDLALAAHSITDNLGEQWLPAFFEAYGVQPDQRRIAFYQLLDEFF
Consensus
[pKd Mean = 4.20]
-1672
(s=126)
0
(s=0)
MNLPDAWRRTFADAVIEQQTIGESRADVWRISPADSAALFVKCEQVMTWGELPGEVQRLRWLETLDLPAPRVLETTTEAEHNWLLMTAVPGRDLASSEQLSPLQIVTLTAQALRELHAVAIDSCPFDHCLDKKIPLAREHVRAGLIDEEDFDDARLGRSAEDVFQQLLAERPPHEELVVTHGDACLPNLLAEHGRFSGFVDCGRLGVADRYQDLALAAHSITDNLGEQWLPAFFEAYGVQPDQRRIAFYQLLDEFF