Study : bsu30200 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: DSD_C_3(1DAI) / Model_12(1DAI/A) = [3.1] Download1540.0224.86MRGFFVTGTDTEVGKTVISSGLAALLKEHNRDVGVYKPFLSGISRHHPDSDTSLLKDMSQTSLSHEDITPFAFKAPLAPYVAGKLEGKTVTMEEVLSHWGRIREKHECFIVEGAGGISVPLGEDYLVSHVIKALQLPMIIVARPHLGTINHTFLTVKYAESMGLPIAGIIINGISDSPDEDEKTNPEMIERLCGVPILGVTPKLANVTKETVLHMVKDHINLSLLMNQMGV
Complex: IKT_C_3(1DAE) / Model_8(1DAE/A) = [3.2] Download984.9424.05MRGFFVTGTDTEVGKTVISSGLAALLKEHNRDVGVYKPFLSGISRHHPDSDTSLLKDMSQTSLSHEDITPFAFKAPLAPYVAGKLEGKTVTMEEVLSHWGRIREKHECFIVEGAGGISVPLGEDYLVSHVIKALQLPMIIVARPHLGTINHTFLTVKYAESMGLPIAGIIINGISDSPDEDEKTNPEMIERLCGVPILGVTPKLANVTKETVLHMVKDHINLSLLMNQMGV
Complex: ADP_C_3(1DAD) / Model_7(1DAD/A) = [6.3] Download1253.1018.79MRGFFVTGTDTEVGKTVISSGLAALLKEHNRDVGVYKPFLSGISRHHPDSDTSLLKDMSQTSLSHEDITPFAFKAPLAPYVAGKLEGKTVTMEEVLSHWGRIREKHECFIVEGAGGISVPLGEDYLVSHVIKALQLPMIIVARPHLGTINHTFLTVKYAESMGLPIAGIIINGISDSPDEDEKTNPEMIERLCGVPILGVTPKLANVTKETVLHMVKDHINLSLLMNQMGV
Complex: ADP_A_5(1DAM) / Model_2(1DAM/A) = [6.7] Download1068.6920.50MRGFFVTGTDTEVGKTVISSGLAALLKEHNRDVGVYKPFLSGISRHHPDSDTSLLKDMSQTSLSHEDITPFAFKAPLAPYVAGKLEGKTVTMEEVLSHWGRIREKHECFIVEGAGGISVPLGEDYLVSHVIKALQLPMIIVARPHLGTINHTFLTVKYAESMGLPIAGIIINGISDSPDEDEKTNPEMIERLCGVPILGVTPKLANVTKETVLHMVKDHINLSLLMNQMGV
Complex: ADP_A_4(1BS1) / Model_3(1BS1/A) = [6.8] Download767.4220.50MRGFFVTGTDTEVGKTVISSGLAALLKEHNRDVGVYKPFLSGISRHHPDSDTSLLKDMSQTSLSHEDITPFAFKAPLAPYVAGKLEGKTVTMEEVLSHWGRIREKHECFIVEGAGGISVPLGEDYLVSHVIKALQLPMIIVARPHLGTINHTFLTVKYAESMGLPIAGIIINGISDSPDEDEKTNPEMIERLCGVPILGVTPKLANVTKETVLHMVKDHINLSLLMNQMGV
Consensus
[pKd Mean = 5.22]
-1122
(s=260)
21
(s=2)
MRGFFVTGTDTEVGKTVISSGLAALLKEHNRDVGVYKPFLSGISRHHPDSDTSLLKDMSQTSLSHEDITPFAFKAPLAPYVAGKLEGKTVTMEEVLSHWGRIREKHECFIVEGAGGISVPLGEDYLVSHVIKALQLPMIIVARPHLGTINHTFLTVKYAESMGLPIAGIIINGISDSPDEDEKTNPEMIERLCGVPILGVTPKLANVTKETVLHMVKDHINLSLLMNQMGV