Study : 619_tI_THECC (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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_11(2ALG/A) = [4.2] Download659.8042.39ALTCDDVTGQLFPCLTYLTLRGKNVRPPPQGCCNGVRRLNKQAQSKADRQKACNCIKGLAGTFTGLNLDLVEGLPRRCNVNIPYKISPSTDCKKVN
Complex: OLA_A_2(1FK5) / Model_32(1FK5/A) = [4.4] Download942.6354.78ALTCDDVTGQLFPCLTYLTLRGKNVRPPPQGCCNGVRRLNKQAQSKADRQKACNCIKGLAGTFTGLNLDLVEGLPRRCNVNIPYKISPSTDCKKVN
Complex: LPC_A_3(1BWO) / Model_16(1BWO/A) = [6.4] Download1579.7541.71ALTCDDVTGQLFPCLTYLTLRGKNVRPPPQGCCNGVRRLNKQAQSKADRQKACNCIKGLAGTFTGLNLDLVEGLPRRCNVNIPYKISPSTDCKKVN
Consensus
[pKd Mean = 5.00]
-1060
(s=384)
46
(s=6)
ALTCDDVTGQLFPCLTYLTLRGKNVRPPPQGCCNGVRRLNKQAQSKADRQKACNCIKGLAGTFTGLNLDLVEGLPRRCNVNIPYKISPSTDCKKVN