Study : PA3611 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: CXS_A_7(3NPD) / Model_1(3NPD/A) = [3.4] Download791.8129.14MSRFMALALCFVLPTAAHAASLKDFELSKMLEKVAKESSVGTPRAINEDILDQGYTVEGNQLINHLSVRASHAERMRSNPDSVRSQLGDSVCSNTGYRQLLARGAILTYSFTEYKTNQPVATERFDAGSCRIQGKK
Complex: CXS_A_7(3NPD) / Model_14(3NPD/A) = [3.4] Download751.5229.14MSRFMALALCFVLPTAAHAASLKDFELSKMLEKVAKESSVGTPRAINEDILDQGYTVEGNQLINHLSVRASHAERMRSNPDSVRSQLGDSVCSNTGYRQLLARGAILTYSFTEYKTNQPVATERFDAGSCRIQGKK
Complex: CXS_A_7(3NPD) / Model_25(3NPD/A) = [3.4] Download864.7129.14MSRFMALALCFVLPTAAHAASLKDFELSKMLEKVAKESSVGTPRAINEDILDQGYTVEGNQLINHLSVRASHAERMRSNPDSVRSQLGDSVCSNTGYRQLLARGAILTYSFTEYKTNQPVATERFDAGSCRIQGKK
Consensus
[pKd Mean = 3.40]		-802
(s=46)		29
(s=0)		MSRFMALALCFVLPTAAHAASLKDFELSKMLEKVAKESSVGTPRAINEDILDQGYTVEGNQLINHLSVRASHAERMRSNPDSVRSQLGDSVCSNTGYRQLLARGAILTYSFTEYKTNQPVATERFDAGSCRIQGKK