Study : bsu09020 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: 144_A_5(3B6M) / Model_10(3B6M/A) = [3.1] Download365.115.00MKIYVVYDSEGEHTKVLAEAIAEGARENDAAEVFIDHVDQADIRKLKDMDAIIWGCPGHFGTISSGLKTWIDRLGYLWAEGELINKVGAVFCTTATTHGGLEMTMHNLITPMFHQGMIVVGLPGNVPENALYGSYYGAGVTCPVDSDELMSEEGIQLGRALGRRVSQVTGNLTAGQ
Complex: 144_B_6(3B6M) / Model_26(3B6M/B) = [3.2] Download721.406.88MKIYVVYDSEGEHTKVLAEAIAEGARENDAAEVFIDHVDQADIRKLKDMDAIIWGCPGHFGTISSGLKTWIDRLGYLWAEGELINKVGAVFCTTATTHGGLEMTMHNLITPMFHQGMIVVGLPGNVPENALYGSYYGAGVTCPVDSDELMSEEGIQLGRALGRRVSQVTGNLTAGQ
Consensus
[pKd Mean = 3.15]
-543
(s=178)
5
(s=1)
MKIYVVYDSEGEHTKVLAEAIAEGARENDAAEVFIDHVDQADIRKLKDMDAIIWGCPGHFGTISSGLKTWIDRLGYLWAEGELINKVGAVFCTTATTHGGLEMTMHNLITPMFHQGMIVVGLPGNVPENALYGSYYGAGVTCPVDSDELMSEEGIQLGRALGRRVSQVTGNLTAGQ