Study : 250_tI_GOSHI (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: LPC_A_4(1BWO) / Model_22(1BWO/A) = [3.4] Download1351.5631.78AVTCGQVTSSLAPCIGYLTGNGAGGVPPGCCGGIKSLNSAAQTTPDRQAACKCIKSAAAGISGINYGIASGLPGKCGVNIPYKISPSTDCNSVK
Complex: DAO_E_5(2ALG) / Model_18(2ALG/A) = [4.0] Download637.7730.43AVTCGQVTSSLAPCIGYLTGNGAGGVPPGCCGGIKSLNSAAQTTPDRQAACKCIKSAAAGISGINYGIASGLPGKCGVNIPYKISPSTDCNSVK
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [5.3] Download1130.7938.77AVTCGQVTSSLAPCIGYLTGNGAGGVPPGCCGGIKSLNSAAQTTPDRQAACKCIKSAAAGISGINYGIASGLPGKCGVNIPYKISPSTDCNSVK
Consensus
[pKd Mean = 4.23]
-1040
(s=298)
33
(s=3)
AVTCGQVTSSLAPCIGYLTGNGAGGVPPGCCGGIKSLNSAAQTTPDRQAACKCIKSAAAGISGINYGIASGLPGKCGVNIPYKISPSTDCNSVK