Study : jhp_1105 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: G16_A_8(3UN3) / Model_10(3UN3/A) = [3.1] Download1214.345.88MQKRVVILLLDSFGIGASEDAKDFGDLGANTLGNIAKACFNNLADSNDRNGVLKLPNLEGLGLGLSALKAANELPLGFQLKPNLIGAYAYAKELSSAKDTISGHWEMMGAPVLFEWGYFKDKNDSFPKEILDEIMHKTKIKGYLGNCHASGTEIIKDLGEKHLETLYPIFYTSADSVFQIAAHEERFGLDHLYALCEEAFQILEPLKIARVIARPFIGTNRENFKRTANRKDYAIKPHKKLLFETFIEEKQGEVISIGKIADIYAHVGITQKFKAGSLMELCDVTLDQVKNAPNNSLIFTNFVHFDSDYGHRRDVSGYANALEYFDARLKEVLDNLRENDLLILCADHGCDPSFKGTDHTREYIPVLFYHKDLQPAFLGKSETFADIGQSIAYFLGLSPLDYGKNLLNFKGQP
Complex: HSX_A_9(4LRF) / Model_20(4LRF/A) = [3.1] Download904.686.37MQKRVVILLLDSFGIGASEDAKDFGDLGANTLGNIAKACFNNLADSNDRNGVLKLPNLEGLGLGLSALKAANELPLGFQLKPNLIGAYAYAKELSSAKDTISGHWEMMGAPVLFEWGYFKDKNDSFPKEILDEIMHKTKIKGYLGNCHASGTEIIKDLGEKHLETLYPIFYTSADSVFQIAAHEERFGLDHLYALCEEAFQILEPLKIARVIARPFIGTNRENFKRTANRKDYAIKPHKKLLFETFIEEKQGEVISIGKIADIYAHVGITQKFKAGSLMELCDVTLDQVKNAPNNSLIFTNFVHFDSDYGHRRDVSGYANALEYFDARLKEVLDNLRENDLLILCADHGCDPSFKGTDHTREYIPVLFYHKDLQPAFLGKSETFADIGQSIAYFLGLSPLDYGKNLLNFKGQP
Complex: HSX_A_9(4LR8) / Model_15(4LR8/A) = [3.4] Download699.443.89MQKRVVILLLDSFGIGASEDAKDFGDLGANTLGNIAKACFNNLADSNDRNGVLKLPNLEGLGLGLSALKAANELPLGFQLKPNLIGAYAYAKELSSAKDTISGHWEMMGAPVLFEWGYFKDKNDSFPKEILDEIMHKTKIKGYLGNCHASGTEIIKDLGEKHLETLYPIFYTSADSVFQIAAHEERFGLDHLYALCEEAFQILEPLKIARVIARPFIGTNRENFKRTANRKDYAIKPHKKLLFETFIEEKQGEVISIGKIADIYAHVGITQKFKAGSLMELCDVTLDQVKNAPNNSLIFTNFVHFDSDYGHRRDVSGYANALEYFDARLKEVLDNLRENDLLILCADHGCDPSFKGTDHTREYIPVLFYHKDLQPAFLGKSETFADIGQSIAYFLGLSPLDYGKNLLNFKGQP
Complex: G16_A_9(3OT9) / Model_66(3OT9/A) = [3.6] Download1387.546.26MQKRVVILLLDSFGIGASEDAKDFGDLGANTLGNIAKACFNNLADSNDRNGVLKLPNLEGLGLGLSALKAANELPLGFQLKPNLIGAYAYAKELSSAKDTISGHWEMMGAPVLFEWGYFKDKNDSFPKEILDEIMHKTKIKGYLGNCHASGTEIIKDLGEKHLETLYPIFYTSADSVFQIAAHEERFGLDHLYALCEEAFQILEPLKIARVIARPFIGTNRENFKRTANRKDYAIKPHKKLLFETFIEEKQGEVISIGKIADIYAHVGITQKFKAGSLMELCDVTLDQVKNAPNNSLIFTNFVHFDSDYGHRRDVSGYANALEYFDARLKEVLDNLRENDLLILCADHGCDPSFKGTDHTREYIPVLFYHKDLQPAFLGKSETFADIGQSIAYFLGLSPLDYGKNLLNFKGQP
Complex: G16_A_9(3OT9) / Model_5(3OT9/A) = [3.6] Download1096.816.26MQKRVVILLLDSFGIGASEDAKDFGDLGANTLGNIAKACFNNLADSNDRNGVLKLPNLEGLGLGLSALKAANELPLGFQLKPNLIGAYAYAKELSSAKDTISGHWEMMGAPVLFEWGYFKDKNDSFPKEILDEIMHKTKIKGYLGNCHASGTEIIKDLGEKHLETLYPIFYTSADSVFQIAAHEERFGLDHLYALCEEAFQILEPLKIARVIARPFIGTNRENFKRTANRKDYAIKPHKKLLFETFIEEKQGEVISIGKIADIYAHVGITQKFKAGSLMELCDVTLDQVKNAPNNSLIFTNFVHFDSDYGHRRDVSGYANALEYFDARLKEVLDNLRENDLLILCADHGCDPSFKGTDHTREYIPVLFYHKDLQPAFLGKSETFADIGQSIAYFLGLSPLDYGKNLLNFKGQP
Consensus
[pKd Mean = 3.36]
-1060
(s=239)
5
(s=1)
MQKRVVILLLDSFGIGASEDAKDFGDLGANTLGNIAKACFNNLADSNDRNGVLKLPNLEGLGLGLSALKAANELPLGFQLKPNLIGAYAYAKELSSAKDTISGHWEMMGAPVLFEWGYFKDKNDSFPKEILDEIMHKTKIKGYLGNCHASGTEIIKDLGEKHLETLYPIFYTSADSVFQIAAHEERFGLDHLYALCEEAFQILEPLKIARVIARPFIGTNRENFKRTANRKDYAIKPHKKLLFETFIEEKQGEVISIGKIADIYAHVGITQKFKAGSLMELCDVTLDQVKNAPNNSLIFTNFVHFDSDYGHRRDVSGYANALEYFDARLKEVLDNLRENDLLILCADHGCDPSFKGTDHTREYIPVLFYHKDLQPAFLGKSETFADIGQSIAYFLGLSPLDYGKNLLNFKGQP