Study : 396_tI_VITAE (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: LPC_A_4(1BWO) / Model_16(1BWO/A) = [3.5] Download1484.9746.54AITCGQVASALSPCISYLQKGGAVPPACCSGIKSLNSSAKTTADRQAACKCLKNFSSTVSGINLSLASGLPGKCGVSVPYKISPSTDCTKVT
Complex: DAO_E_5(2ALG) / Model_11(2ALG/A) = [3.7] Download850.5536.17AITCGQVASALSPCISYLQKGGAVPPACCSGIKSLNSSAKTTADRQAACKCLKNFSSTVSGINLSLASGLPGKCGVSVPYKISPSTDCTKVT
Complex: OLA_A_2(1FK5) / Model_29(1FK5/A) = [5.2] Download1118.2547.76AITCGQVASALSPCISYLQKGGAVPPACCSGIKSLNSSAKTTADRQAACKCLKNFSSTVSGINLSLASGLPGKCGVSVPYKISPSTDCTKVT
Consensus
[pKd Mean = 4.13]
-1151
(s=260)
43
(s=5)
AITCGQVASALSPCISYLQKGGAVPPACCSGIKSLNSSAKTTADRQAACKCLKNFSSTVSGINLSLASGLPGKCGVSVPYKISPSTDCTKVT