Study : bsu14470 (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: ADP_A_3(4CZL) / Model_11(4CZL/A) = [5.8] Download747.9416.10MFQSTEIGIDLGTANILVYSKNKGIILNEPSVVAVDTTTKAVLAIGADAKNMIGKTPGKIVAVRPMKDGVIADYDMTTDLLKHIMKKAAKSIGMSFRKPNVVVCTPSGSTAVERRAISDAVKNCGAKNVHLIEEPVAAAIGADLPVDEPVANVVVDIGGGTTEVAIISFGGVVSCHSIRIGGDQLDEDIVSFVRKKYNLLIGERTAEQVKMEIGHALIEHIPEAMEIRGRDLVTGLPKTIMLQSNEIQDAMRESLLHILEAIRATLEDCPPELSGDIVDRGVILTGGGALLNGIKEWLTEEIVVPVHVAQNPLESVAIGTGRSLEVIDKLQKAIK
Complex: ANP_A_4(4CZJ) / Model_9(4CZJ/A) = [6.4] Download1102.3415.92MFQSTEIGIDLGTANILVYSKNKGIILNEPSVVAVDTTTKAVLAIGADAKNMIGKTPGKIVAVRPMKDGVIADYDMTTDLLKHIMKKAAKSIGMSFRKPNVVVCTPSGSTAVERRAISDAVKNCGAKNVHLIEEPVAAAIGADLPVDEPVANVVVDIGGGTTEVAIISFGGVVSCHSIRIGGDQLDEDIVSFVRKKYNLLIGERTAEQVKMEIGHALIEHIPEAMEIRGRDLVTGLPKTIMLQSNEIQDAMRESLLHILEAIRATLEDCPPELSGDIVDRGVILTGGGALLNGIKEWLTEEIVVPVHVAQNPLESVAIGTGRSLEVIDKLQKAIK
Complex: ADP_A_3(4CZG) / Model_24(4CZG/A) = [6.8] Download928.3315.57MFQSTEIGIDLGTANILVYSKNKGIILNEPSVVAVDTTTKAVLAIGADAKNMIGKTPGKIVAVRPMKDGVIADYDMTTDLLKHIMKKAAKSIGMSFRKPNVVVCTPSGSTAVERRAISDAVKNCGAKNVHLIEEPVAAAIGADLPVDEPVANVVVDIGGGTTEVAIISFGGVVSCHSIRIGGDQLDEDIVSFVRKKYNLLIGERTAEQVKMEIGHALIEHIPEAMEIRGRDLVTGLPKTIMLQSNEIQDAMRESLLHILEAIRATLEDCPPELSGDIVDRGVILTGGGALLNGIKEWLTEEIVVPVHVAQNPLESVAIGTGRSLEVIDKLQKAIK
Complex: ADP_A_3(4CZG) / Model_6(4CZG/A) = [6.8] Download1163.9613.41MFQSTEIGIDLGTANILVYSKNKGIILNEPSVVAVDTTTKAVLAIGADAKNMIGKTPGKIVAVRPMKDGVIADYDMTTDLLKHIMKKAAKSIGMSFRKPNVVVCTPSGSTAVERRAISDAVKNCGAKNVHLIEEPVAAAIGADLPVDEPVANVVVDIGGGTTEVAIISFGGVVSCHSIRIGGDQLDEDIVSFVRKKYNLLIGERTAEQVKMEIGHALIEHIPEAMEIRGRDLVTGLPKTIMLQSNEIQDAMRESLLHILEAIRATLEDCPPELSGDIVDRGVILTGGGALLNGIKEWLTEEIVVPVHVAQNPLESVAIGTGRSLEVIDKLQKAIK
Complex: ADP_A_3(4CZH) / Model_7(4CZH/A) = [7.0] Download876.4113.55MFQSTEIGIDLGTANILVYSKNKGIILNEPSVVAVDTTTKAVLAIGADAKNMIGKTPGKIVAVRPMKDGVIADYDMTTDLLKHIMKKAAKSIGMSFRKPNVVVCTPSGSTAVERRAISDAVKNCGAKNVHLIEEPVAAAIGADLPVDEPVANVVVDIGGGTTEVAIISFGGVVSCHSIRIGGDQLDEDIVSFVRKKYNLLIGERTAEQVKMEIGHALIEHIPEAMEIRGRDLVTGLPKTIMLQSNEIQDAMRESLLHILEAIRATLEDCPPELSGDIVDRGVILTGGGALLNGIKEWLTEEIVVPVHVAQNPLESVAIGTGRSLEVIDKLQKAIK
Consensus
[pKd Mean = 6.56]		-963
(s=151)		14
(s=1)		MFQSTEIGIDLGTANILVYSKNKGIILNEPSVVAVDTTTKAVLAIGADAKNMIGKTPGKIVAVRPMKDGVIADYDMTTDLLKHIMKKAAKSIGMSFRKPNVVVCTPSGSTAVERRAISDAVKNCGAKNVHLIEEPVAAAIGADLPVDEPVANVVVDIGGGTTEVAIISFGGVVSCHSIRIGGDQLDEDIVSFVRKKYNLLIGERTAEQVKMEIGHALIEHIPEAMEIRGRDLVTGLPKTIMLQSNEIQDAMRESLLHILEAIRATLEDCPPELSGDIVDRGVILTGGGALLNGIKEWLTEEIVVPVHVAQNPLESVAIGTGRSLEVIDKLQKAIK