Study : Lmo1328 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: NACID_E_5(3LWV) / Model_17(3LWV/A) = [3.4] Download--MNGIIPLWKERGMTSHDCVYKLRKILHTKKVGHTGTLDPEVEGVLPICIGRATKLAEYVTDEGKVYVAEITLGKSTTTEDATGETVNTKELAEISAAELQAALTKLTGKITQIPPMFSAVKVNGKKLYEYARAGIEVERPSRQVDIYSLIRLDGDTALNQSNPTFQLEIACGKGTYIRTLAVMIGELLGYPAHMSKLERTRSGFFKKEDCLTLTEIDEMMQASDSSFLYPLEKGIESMAKLVIEEEVYAKVLNGGLLPTSLFAEVENEPRAALIFKDKLTAIYKPHPEKKDLWKPEKVIELNQA
Complex: NACID_D_2(1ZE2) / Model_24(1ZE2/B) = [9.3] Download--MNGIIPLWKERGMTSHDCVYKLRKILHTKKVGHTGTLDPEVEGVLPICIGRATKLAEYVTDEGKVYVAEITLGKSTTTEDATGETVNTKELAEISAAELQAALTKLTGKITQIPPMFSAVKVNGKKLYEYARAGIEVERPSRQVDIYSLIRLDGDTALNQSNPTFQLEIACGKGTYIRTLAVMIGELLGYPAHMSKLERTRSGFFKKEDCLTLTEIDEMMQASDSSFLYPLEKGIESMAKLVIEEEVYAKVLNGGLLPTSLFAEVENEPRAALIFKDKLTAIYKPHPEKKDLWKPEKVIELNQA
Complex: NACID_B_1(1ZL3) / Model_3(1ZL3/A) = [11.6] Download--MNGIIPLWKERGMTSHDCVYKLRKILHTKKVGHTGTLDPEVEGVLPICIGRATKLAEYVTDEGKVYVAEITLGKSTTTEDATGETVNTKELAEISAAELQAALTKLTGKITQIPPMFSAVKVNGKKLYEYARAGIEVERPSRQVDIYSLIRLDGDTALNQSNPTFQLEIACGKGTYIRTLAVMIGELLGYPAHMSKLERTRSGFFKKEDCLTLTEIDEMMQASDSSFLYPLEKGIESMAKLVIEEEVYAKVLNGGLLPTSLFAEVENEPRAALIFKDKLTAIYKPHPEKKDLWKPEKVIELNQA
Complex: NACID_C_1(1ZE2) / Model_7(1ZE2/A) = [12.7] Download--MNGIIPLWKERGMTSHDCVYKLRKILHTKKVGHTGTLDPEVEGVLPICIGRATKLAEYVTDEGKVYVAEITLGKSTTTEDATGETVNTKELAEISAAELQAALTKLTGKITQIPPMFSAVKVNGKKLYEYARAGIEVERPSRQVDIYSLIRLDGDTALNQSNPTFQLEIACGKGTYIRTLAVMIGELLGYPAHMSKLERTRSGFFKKEDCLTLTEIDEMMQASDSSFLYPLEKGIESMAKLVIEEEVYAKVLNGGLLPTSLFAEVENEPRAALIFKDKLTAIYKPHPEKKDLWKPEKVIELNQA
Complex: NACID_B_1(2AB4) / Model_8(2AB4/A) = [13.5] Download--MNGIIPLWKERGMTSHDCVYKLRKILHTKKVGHTGTLDPEVEGVLPICIGRATKLAEYVTDEGKVYVAEITLGKSTTTEDATGETVNTKELAEISAAELQAALTKLTGKITQIPPMFSAVKVNGKKLYEYARAGIEVERPSRQVDIYSLIRLDGDTALNQSNPTFQLEIACGKGTYIRTLAVMIGELLGYPAHMSKLERTRSGFFKKEDCLTLTEIDEMMQASDSSFLYPLEKGIESMAKLVIEEEVYAKVLNGGLLPTSLFAEVENEPRAALIFKDKLTAIYKPHPEKKDLWKPEKVIELNQA
Consensus
[pKd Mean = 10.10]		-0
(s=0)		0
(s=0)		MNGIIPLWKERGMTSHDCVYKLRKILHTKKVGHTGTLDPEVEGVLPICIGRATKLAEYVTDEGKVYVAEITLGKSTTTEDATGETVNTKELAEISAAELQAALTKLTGKITQIPPMFSAVKVNGKKLYEYARAGIEVERPSRQVDIYSLIRLDGDTALNQSNPTFQLEIACGKGTYIRTLAVMIGELLGYPAHMSKLERTRSGFFKKEDCLTLTEIDEMMQASDSSFLYPLEKGIESMAKLVIEEEVYAKVLNGGLLPTSLFAEVENEPRAALIFKDKLTAIYKPHPEKKDLWKPEKVIELNQA