Study : 295_tI_TOBAC (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: DAO_E_5(2ALG) / Model_20(2ALG/A) = [4.2] Download609.1327.90DISCGQVVASLSPCISYVRQGGAIPAPCCSGINSLNNQATSTPDRQTACNCIKSAAAGISGINFSLAGSLPSKCGVNLPYKISPSIDCSTVQ
Complex: LPC_A_4(1BWO) / Model_25(1BWO/A) = [4.6] Download1359.8934.59DISCGQVVASLSPCISYVRQGGAIPAPCCSGINSLNNQATSTPDRQTACNCIKSAAAGISGINFSLAGSLPSKCGVNLPYKISPSIDCSTVQ
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [5.2] Download1217.9637.04DISCGQVVASLSPCISYVRQGGAIPAPCCSGINSLNNQATSTPDRQTACNCIKSAAAGISGINFSLAGSLPSKCGVNLPYKISPSIDCSTVQ
Complex: LPC_A_3(1BWO) / Model_25(1BWO/A) = [7.0] Download1604.1234.90DISCGQVVASLSPCISYVRQGGAIPAPCCSGINSLNNQATSTPDRQTACNCIKSAAAGISGINFSLAGSLPSKCGVNLPYKISPSIDCSTVQ
Consensus
[pKd Mean = 5.25]
-1197
(s=366)
33
(s=3)
DISCGQVVASLSPCISYVRQGGAIPAPCCSGINSLNNQATSTPDRQTACNCIKSAAAGISGINFSLAGSLPSKCGVNLPYKISPSIDCSTVQ