Study : 373_tI_SETIT (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: DAO_E_5(2ALG) / Model_14(2ALG/A) = [3.8] Download671.4243.78AITCGQVASSLAPCIPYATGNANVMPSGCCGGVRSLNNAARTSADRQAACRCLKSLAGTIKKLNMGTVAGIPGKCGVSVPFRISMSTDCNKVS
Complex: LPC_A_4(1BWO) / Model_15(1BWO/A) = [4.7] Download1265.7448.32AITCGQVASSLAPCIPYATGNANVMPSGCCGGVRSLNNAARTSADRQAACRCLKSLAGTIKKLNMGTVAGIPGKCGVSVPFRISMSTDCNKVS
Complex: OLA_A_2(1FK5) / Model_31(1FK5/A) = [5.8] Download1148.7443.69AITCGQVASSLAPCIPYATGNANVMPSGCCGGVRSLNNAARTSADRQAACRCLKSLAGTIKKLNMGTVAGIPGKCGVSVPFRISMSTDCNKVS
Consensus
[pKd Mean = 4.77]
-1028
(s=257)
45
(s=2)
AITCGQVASSLAPCIPYATGNANVMPSGCCGGVRSLNNAARTSADRQAACRCLKSLAGTIKKLNMGTVAGIPGKCGVSVPFRISMSTDCNKVS