Study : jhp_1429 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: NAP_B_8(1YQX) / Model_22(1YQX/B) = [10.6] Download1365.7223.60MHNACNCNSQRVPFKGFAIDGKDGKFHEWEHSRHAMGEYDVVIDTHFSGICHTDIHFAHSDWLPGIYPMVPGHEIAGVVSAVGSKVTKFKVGDHAGVGCMVNSCGECHTCKHEHQEQWCENNKTIYTYSWEDSFHNNEPTYGGYSNNIVVSENFVISIPKEAPLDKAAPLLCAGITVYSPLKFSKVTKGSKVGIAGFGGLGHMALKYAVAMGAQVSVFARNDKKKQMAQKLGATNFYTSVGECKEKFDLIVSSIPTQYDLLAYTKLLKYGGEVAIVGIPPKDPQRNLDFGDLVLFSGNHKVYGSWIGGVKETQEMMDFSVKHGIYPEIELVTGQEIDATWDKLLNGQGNFRYVIDMKKSMENFKK
Complex: NAP_A_7(1YQD) / Model_2(1YQD/A) = [10.9] Download1418.2617.55MHNACNCNSQRVPFKGFAIDGKDGKFHEWEHSRHAMGEYDVVIDTHFSGICHTDIHFAHSDWLPGIYPMVPGHEIAGVVSAVGSKVTKFKVGDHAGVGCMVNSCGECHTCKHEHQEQWCENNKTIYTYSWEDSFHNNEPTYGGYSNNIVVSENFVISIPKEAPLDKAAPLLCAGITVYSPLKFSKVTKGSKVGIAGFGGLGHMALKYAVAMGAQVSVFARNDKKKQMAQKLGATNFYTSVGECKEKFDLIVSSIPTQYDLLAYTKLLKYGGEVAIVGIPPKDPQRNLDFGDLVLFSGNHKVYGSWIGGVKETQEMMDFSVKHGIYPEIELVTGQEIDATWDKLLNGQGNFRYVIDMKKSMENFKK
Complex: NAP_A_7(1YQD) / Model_85(1YQD/A) = [10.9] Download1317.9417.55MHNACNCNSQRVPFKGFAIDGKDGKFHEWEHSRHAMGEYDVVIDTHFSGICHTDIHFAHSDWLPGIYPMVPGHEIAGVVSAVGSKVTKFKVGDHAGVGCMVNSCGECHTCKHEHQEQWCENNKTIYTYSWEDSFHNNEPTYGGYSNNIVVSENFVISIPKEAPLDKAAPLLCAGITVYSPLKFSKVTKGSKVGIAGFGGLGHMALKYAVAMGAQVSVFARNDKKKQMAQKLGATNFYTSVGECKEKFDLIVSSIPTQYDLLAYTKLLKYGGEVAIVGIPPKDPQRNLDFGDLVLFSGNHKVYGSWIGGVKETQEMMDFSVKHGIYPEIELVTGQEIDATWDKLLNGQGNFRYVIDMKKSMENFKK
Complex: NAP_A_7(1YQX) / Model_3(1YQX/A) = [11.6] Download1403.2522.00MHNACNCNSQRVPFKGFAIDGKDGKFHEWEHSRHAMGEYDVVIDTHFSGICHTDIHFAHSDWLPGIYPMVPGHEIAGVVSAVGSKVTKFKVGDHAGVGCMVNSCGECHTCKHEHQEQWCENNKTIYTYSWEDSFHNNEPTYGGYSNNIVVSENFVISIPKEAPLDKAAPLLCAGITVYSPLKFSKVTKGSKVGIAGFGGLGHMALKYAVAMGAQVSVFARNDKKKQMAQKLGATNFYTSVGECKEKFDLIVSSIPTQYDLLAYTKLLKYGGEVAIVGIPPKDPQRNLDFGDLVLFSGNHKVYGSWIGGVKETQEMMDFSVKHGIYPEIELVTGQEIDATWDKLLNGQGNFRYVIDMKKSMENFKK
Complex: NDP_A_3(3TWO) / Model_1(3TWO/A) = [11.8] Download1337.2516.82MHNACNCNSQRVPFKGFAIDGKDGKFHEWEHSRHAMGEYDVVIDTHFSGICHTDIHFAHSDWLPGIYPMVPGHEIAGVVSAVGSKVTKFKVGDHAGVGCMVNSCGECHTCKHEHQEQWCENNKTIYTYSWEDSFHNNEPTYGGYSNNIVVSENFVISIPKEAPLDKAAPLLCAGITVYSPLKFSKVTKGSKVGIAGFGGLGHMALKYAVAMGAQVSVFARNDKKKQMAQKLGATNFYTSVGECKEKFDLIVSSIPTQYDLLAYTKLLKYGGEVAIVGIPPKDPQRNLDFGDLVLFSGNHKVYGSWIGGVKETQEMMDFSVKHGIYPEIELVTGQEIDATWDKLLNGQGNFRYVIDMKKSMENFKK
Consensus
[pKd Mean = 11.16]
-1368
(s=38)
19
(s=2)
MHNACNCNSQRVPFKGFAIDGKDGKFHEWEHSRHAMGEYDVVIDTHFSGICHTDIHFAHSDWLPGIYPMVPGHEIAGVVSAVGSKVTKFKVGDHAGVGCMVNSCGECHTCKHEHQEQWCENNKTIYTYSWEDSFHNNEPTYGGYSNNIVVSENFVISIPKEAPLDKAAPLLCAGITVYSPLKFSKVTKGSKVGIAGFGGLGHMALKYAVAMGAQVSVFARNDKKKQMAQKLGATNFYTSVGECKEKFDLIVSSIPTQYDLLAYTKLLKYGGEVAIVGIPPKDPQRNLDFGDLVLFSGNHKVYGSWIGGVKETQEMMDFSVKHGIYPEIELVTGQEIDATWDKLLNGQGNFRYVIDMKKSMENFKK