Study : 201_tI_AVIMR (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: DAO_E_5(2ALG) / Model_22(2ALG/A) = [3.9] Download675.0548.73AISCGTVASKLAPCIPYVTNRGPLGGCCGGVKSLYGLARTTPDRQSVCGCLKSLASSYNVNLGKAAGLPGQCGVNIPYKISPSTDCSKVH
Complex: LPC_A_4(1BWO) / Model_26(1BWO/A) = [4.3] Download1349.2761.17AISCGTVASKLAPCIPYVTNRGPLGGCCGGVKSLYGLARTTPDRQSVCGCLKSLASSYNVNLGKAAGLPGQCGVNIPYKISPSTDCSKVH
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [5.5] Download1036.2249.11AISCGTVASKLAPCIPYVTNRGPLGGCCGGVKSLYGLARTTPDRQSVCGCLKSLASSYNVNLGKAAGLPGQCGVNIPYKISPSTDCSKVH
Complex: LPC_A_3(1BWO) / Model_26(1BWO/A) = [6.9] Download1653.8446.93AISCGTVASKLAPCIPYVTNRGPLGGCCGGVKSLYGLARTTPDRQSVCGCLKSLASSYNVNLGKAAGLPGQCGVNIPYKISPSTDCSKVH
Consensus
[pKd Mean = 5.15]
-1178
(s=363)
51
(s=5)
AISCGTVASKLAPCIPYVTNRGPLGGCCGGVKSLYGLARTTPDRQSVCGCLKSLASSYNVNLGKAAGLPGQCGVNIPYKISPSTDCSKVH