Study : bsu34400 (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: IPA_A_4(2W2B) / Model_5(2W2B/A) = [3.2] Download200.8934.08MENFIGSHMIYTYENGWEYEIYIKNDHTIDYRIHSGMVAGRWVRDQEVNIVKLTEGVYKVSWTEPTGTDVSLNFMPNEKRMHGIIFFPKWVHEHPEITVCYQNDHIDLMKESREKYETYPKYVVPEFAEITFLKNEGVDNEEVISKAPYEGMTDDIRAGRL
Complex: IPA_B_6(2W2B) / Model_21(2W2B/B) = [3.2] Download181.0234.08MENFIGSHMIYTYENGWEYEIYIKNDHTIDYRIHSGMVAGRWVRDQEVNIVKLTEGVYKVSWTEPTGTDVSLNFMPNEKRMHGIIFFPKWVHEHPEITVCYQNDHIDLMKESREKYETYPKYVVPEFAEITFLKNEGVDNEEVISKAPYEGMTDDIRAGRL
Complex: HC4_B_5(4ALB) / Model_20(4ALB/B) = [3.7] Download420.0740.43MENFIGSHMIYTYENGWEYEIYIKNDHTIDYRIHSGMVAGRWVRDQEVNIVKLTEGVYKVSWTEPTGTDVSLNFMPNEKRMHGIIFFPKWVHEHPEITVCYQNDHIDLMKESREKYETYPKYVVPEFAEITFLKNEGVDNEEVISKAPYEGMTDDIRAGRL
Complex: HC4_C_6(4ALB) / Model_19(4ALB/C) = [4.0] Download362.1830.14MENFIGSHMIYTYENGWEYEIYIKNDHTIDYRIHSGMVAGRWVRDQEVNIVKLTEGVYKVSWTEPTGTDVSLNFMPNEKRMHGIIFFPKWVHEHPEITVCYQNDHIDLMKESREKYETYPKYVVPEFAEITFLKNEGVDNEEVISKAPYEGMTDDIRAGRL
Complex: HC4_A_4(4ALB) / Model_1(4ALB/A) = [4.0] Download387.2938.14MENFIGSHMIYTYENGWEYEIYIKNDHTIDYRIHSGMVAGRWVRDQEVNIVKLTEGVYKVSWTEPTGTDVSLNFMPNEKRMHGIIFFPKWVHEHPEITVCYQNDHIDLMKESREKYETYPKYVVPEFAEITFLKNEGVDNEEVISKAPYEGMTDDIRAGRL
Consensus
[pKd Mean = 3.62]
-310
(s=99)
35
(s=3)
MENFIGSHMIYTYENGWEYEIYIKNDHTIDYRIHSGMVAGRWVRDQEVNIVKLTEGVYKVSWTEPTGTDVSLNFMPNEKRMHGIIFFPKWVHEHPEITVCYQNDHIDLMKESREKYETYPKYVVPEFAEITFLKNEGVDNEEVISKAPYEGMTDDIRAGRL