Study : Lmo0568 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: PRT_G_7(1Q1K) / Model_9(1Q1K/A) = [6.1] Download1819.1515.39MKALKIALTKGRLEKDAVALLEKAGIDCSSMTDKKRKLIFHSSTQPISFILVKAVDVMTYVKHGVADIGIVGKDVLMEASKSHYEMLDLEIGKCQFCLASTPDFDPSSYRRKIIATKYPTVASKFFREKGEDVEIIKIEGSVEIAPVLDLADAIIDIVETGSTLKENGLIIYEKMYPISARLIVNKASLKQNKTQIFHLIDQLEQAIKEELAE
Complex: AMP_A_7(1H3D) / Model_36(1H3D/A) = [6.2] Download988.1413.65MKALKIALTKGRLEKDAVALLEKAGIDCSSMTDKKRKLIFHSSTQPISFILVKAVDVMTYVKHGVADIGIVGKDVLMEASKSHYEMLDLEIGKCQFCLASTPDFDPSSYRRKIIATKYPTVASKFFREKGEDVEIIKIEGSVEIAPVLDLADAIIDIVETGSTLKENGLIIYEKMYPISARLIVNKASLKQNKTQIFHLIDQLEQAIKEELAE
Complex: AMP_A_7(1H3D) / Model_8(1H3D/A) = [6.2] Download949.3713.65MKALKIALTKGRLEKDAVALLEKAGIDCSSMTDKKRKLIFHSSTQPISFILVKAVDVMTYVKHGVADIGIVGKDVLMEASKSHYEMLDLEIGKCQFCLASTPDFDPSSYRRKIIATKYPTVASKFFREKGEDVEIIKIEGSVEIAPVLDLADAIIDIVETGSTLKENGLIIYEKMYPISARLIVNKASLKQNKTQIFHLIDQLEQAIKEELAE
Consensus
[pKd Mean = 6.17]		-1252
(s=401)		14
(s=0)		MKALKIALTKGRLEKDAVALLEKAGIDCSSMTDKKRKLIFHSSTQPISFILVKAVDVMTYVKHGVADIGIVGKDVLMEASKSHYEMLDLEIGKCQFCLASTPDFDPSSYRRKIIATKYPTVASKFFREKGEDVEIIKIEGSVEIAPVLDLADAIIDIVETGSTLKENGLIIYEKMYPISARLIVNKASLKQNKTQIFHLIDQLEQAIKEELAE