Study : bsu23360 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: LSA_A_3(4N1O) / Model_35(4N1O/A) = [3.1] Download705.2032.17MKTGYFLLEDGNKIEFELYPEAAPGTVANFEKLANEGFYDGLTFHRVIPGFVSQGGCPHGTGTGGPGYTIKCETEGNPHTHEAGALSMAHAGKDTGGSQFFIVHEPQPHLNGVHTVFGKVTSGLEFAKNMSNGDVMKEVRVEG
Complex: CHAIN_J_10(4DGC) / Model_24(4DGC/D) = [3.1] Download--MKTGYFLLEDGNKIEFELYPEAAPGTVANFEKLANEGFYDGLTFHRVIPGFVSQGGCPHGTGTGGPGYTIKCETEGNPHTHEAGALSMAHAGKDTGGSQFFIVHEPQPHLNGVHTVFGKVTSGLEFAKNMSNGDVMKEVRVEG
Complex: UNU_A_2(4N1N) / Model_36(4N1N/A) = [3.1] Download308.4837.91MKTGYFLLEDGNKIEFELYPEAAPGTVANFEKLANEGFYDGLTFHRVIPGFVSQGGCPHGTGTGGPGYTIKCETEGNPHTHEAGALSMAHAGKDTGGSQFFIVHEPQPHLNGVHTVFGKVTSGLEFAKNMSNGDVMKEVRVEG
Complex: 1P3_A_2(1W8L) / Model_84(1W8L/A) = [3.3] Download595.6029.69MKTGYFLLEDGNKIEFELYPEAAPGTVANFEKLANEGFYDGLTFHRVIPGFVSQGGCPHGTGTGGPGYTIKCETEGNPHTHEAGALSMAHAGKDTGGSQFFIVHEPQPHLNGVHTVFGKVTSGLEFAKNMSNGDVMKEVRVEG
Complex: WM4_A_3(4N1S) / Model_31(4N1S/A) = [3.3] Download872.4615.55MKTGYFLLEDGNKIEFELYPEAAPGTVANFEKLANEGFYDGLTFHRVIPGFVSQGGCPHGTGTGGPGYTIKCETEGNPHTHEAGALSMAHAGKDTGGSQFFIVHEPQPHLNGVHTVFGKVTSGLEFAKNMSNGDVMKEVRVEG
Consensus
[pKd Mean = 3.18]
-620
(s=205)
28
(s=8)
MKTGYFLLEDGNKIEFELYPEAAPGTVANFEKLANEGFYDGLTFHRVIPGFVSQGGCPHGTGTGGPGYTIKCETEGNPHTHEAGALSMAHAGKDTGGSQFFIVHEPQPHLNGVHTVFGKVTSGLEFAKNMSNGDVMKEVRVEG