Study : 364_tI_RUBID (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: DAO_E_5(2ALG) / Model_1(2ALG/A) = [3.7] Download823.7736.96ITCGQVTQNVAPCFNYVKNGGAVPAACCNGVRNLNSQAKTTADRQQTCNCLKNAAGSIPGLNPSLAAGLPGKCGVSVPYKISTSTNCATVK
Complex: OLA_A_2(1FK5) / Model_31(1FK5/A) = [5.4] Download1164.5749.41ITCGQVTQNVAPCFNYVKNGGAVPAACCNGVRNLNSQAKTTADRQQTCNCLKNAAGSIPGLNPSLAAGLPGKCGVSVPYKISTSTNCATVK
Complex: LPC_A_4(1BWO) / Model_6(1BWO/A) = [5.6] Download1131.4653.72ITCGQVTQNVAPCFNYVKNGGAVPAACCNGVRNLNSQAKTTADRQQTCNCLKNAAGSIPGLNPSLAAGLPGKCGVSVPYKISTSTNCATVK
Complex: LPC_A_3(1BWO) / Model_6(1BWO/A) = [6.7] Download1758.5345.45ITCGQVTQNVAPCFNYVKNGGAVPAACCNGVRNLNSQAKTTADRQQTCNCLKNAAGSIPGLNPSLAAGLPGKCGVSVPYKISTSTNCATVK
Consensus
[pKd Mean = 5.35]
-1219
(s=338)
46
(s=6)
ITCGQVTQNVAPCFNYVKNGGAVPAACCNGVRNLNSQAKTTADRQQTCNCLKNAAGSIPGLNPSLAAGLPGKCGVSVPYKISTSTNCATVK