Study : bsu03270 (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: FAD_A_3(3AB1) / Model_3(3AB1/A) = [11.0] Download539.3623.82MAENQEVYDVTIIGGGPIGLFTAFYCGMRELKTKVIEFLPKLGGKVSLFFPEKIIRDIGGIPGIAGKQLIEQLKEQAATFDPDIVLNQRVTGFERLDDGTIVLTGSEGKKHYTRTVILACGMGTLEVNEFDSEDAARYAGKNLHYGVEKLDAFKGKRVVISGGGDTAVDWANELEPIAASVTVVHRREEFGGMESSVTKMKQSSVRVLTPYRLEQLNGDEEGIKSVTVCHTESGQRKDIEIDELIINHGFKIDLGPMMEWGLEIEEGRVKADRHMRTNLPGVFVAGDAAFYESKLRLIAGGFTEGPTAVNSAKAYLDPKAENMAMYSTHHKKLVHK
Complex: FAD_A_3(3AB1) / Model_25(3AB1/A) = [11.1] Download501.7825.44MAENQEVYDVTIIGGGPIGLFTAFYCGMRELKTKVIEFLPKLGGKVSLFFPEKIIRDIGGIPGIAGKQLIEQLKEQAATFDPDIVLNQRVTGFERLDDGTIVLTGSEGKKHYTRTVILACGMGTLEVNEFDSEDAARYAGKNLHYGVEKLDAFKGKRVVISGGGDTAVDWANELEPIAASVTVVHRREEFGGMESSVTKMKQSSVRVLTPYRLEQLNGDEEGIKSVTVCHTESGQRKDIEIDELIINHGFKIDLGPMMEWGLEIEEGRVKADRHMRTNLPGVFVAGDAAFYESKLRLIAGGFTEGPTAVNSAKAYLDPKAENMAMYSTHHKKLVHK
Complex: FAD_B_4(3AB1) / Model_22(3AB1/B) = [12.3] Download534.3723.35MAENQEVYDVTIIGGGPIGLFTAFYCGMRELKTKVIEFLPKLGGKVSLFFPEKIIRDIGGIPGIAGKQLIEQLKEQAATFDPDIVLNQRVTGFERLDDGTIVLTGSEGKKHYTRTVILACGMGTLEVNEFDSEDAARYAGKNLHYGVEKLDAFKGKRVVISGGGDTAVDWANELEPIAASVTVVHRREEFGGMESSVTKMKQSSVRVLTPYRLEQLNGDEEGIKSVTVCHTESGQRKDIEIDELIINHGFKIDLGPMMEWGLEIEEGRVKADRHMRTNLPGVFVAGDAAFYESKLRLIAGGFTEGPTAVNSAKAYLDPKAENMAMYSTHHKKLVHK
Complex: FAD_A_3(3LZX) / Model_2(3LZX/A) = [12.6] Download574.9027.48MAENQEVYDVTIIGGGPIGLFTAFYCGMRELKTKVIEFLPKLGGKVSLFFPEKIIRDIGGIPGIAGKQLIEQLKEQAATFDPDIVLNQRVTGFERLDDGTIVLTGSEGKKHYTRTVILACGMGTLEVNEFDSEDAARYAGKNLHYGVEKLDAFKGKRVVISGGGDTAVDWANELEPIAASVTVVHRREEFGGMESSVTKMKQSSVRVLTPYRLEQLNGDEEGIKSVTVCHTESGQRKDIEIDELIINHGFKIDLGPMMEWGLEIEEGRVKADRHMRTNLPGVFVAGDAAFYESKLRLIAGGFTEGPTAVNSAKAYLDPKAENMAMYSTHHKKLVHK
Complex: FAD_A_2(3LZW) / Model_24(3LZW/A) = [12.8] Download543.5027.48MAENQEVYDVTIIGGGPIGLFTAFYCGMRELKTKVIEFLPKLGGKVSLFFPEKIIRDIGGIPGIAGKQLIEQLKEQAATFDPDIVLNQRVTGFERLDDGTIVLTGSEGKKHYTRTVILACGMGTLEVNEFDSEDAARYAGKNLHYGVEKLDAFKGKRVVISGGGDTAVDWANELEPIAASVTVVHRREEFGGMESSVTKMKQSSVRVLTPYRLEQLNGDEEGIKSVTVCHTESGQRKDIEIDELIINHGFKIDLGPMMEWGLEIEEGRVKADRHMRTNLPGVFVAGDAAFYESKLRLIAGGFTEGPTAVNSAKAYLDPKAENMAMYSTHHKKLVHK
Consensus
[pKd Mean = 11.96]
-538
(s=23)
25
(s=1)
MAENQEVYDVTIIGGGPIGLFTAFYCGMRELKTKVIEFLPKLGGKVSLFFPEKIIRDIGGIPGIAGKQLIEQLKEQAATFDPDIVLNQRVTGFERLDDGTIVLTGSEGKKHYTRTVILACGMGTLEVNEFDSEDAARYAGKNLHYGVEKLDAFKGKRVVISGGGDTAVDWANELEPIAASVTVVHRREEFGGMESSVTKMKQSSVRVLTPYRLEQLNGDEEGIKSVTVCHTESGQRKDIEIDELIINHGFKIDLGPMMEWGLEIEEGRVKADRHMRTNLPGVFVAGDAAFYESKLRLIAGGFTEGPTAVNSAKAYLDPKAENMAMYSTHHKKLVHK