Study : Lmo1591 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: NAP_A_3(2I3G) / Model_7(2I3G/A) = [10.2] Download2302.2719.55MKVSIIGATGYGGLELIRLLHQHSSVDIATLHSFSAQAETLATFYPHLKDLAVSPLEKINPTEIIEKSDTVFIATPSGIAKDIALPYVDAGLNVIDLSGDFRLKDRQLYEKWYGKSAAPTEYIGKAEYGLAEFREKKETTFIANPGCYATATLLGLAPLATNKLIDPTSIIVDAKSGISGAGKVPSASTHFTETNENMTLYKMNSHQHIPEIMQQLTKWDESIPAIQFSTSLIPITRGIFTTIYVKPKNPITQKELHKLYESTYDNAPFVRIQPENVYPTVKQVTASNYCDIGLAYNEKTNVITIVSVIDNLVKGAAGQAIQNLNIMANFAESDGLRFIPVYP
Complex: NAP_B_4(2I3G) / Model_21(2I3G/B) = [10.4] Download2078.0619.55MKVSIIGATGYGGLELIRLLHQHSSVDIATLHSFSAQAETLATFYPHLKDLAVSPLEKINPTEIIEKSDTVFIATPSGIAKDIALPYVDAGLNVIDLSGDFRLKDRQLYEKWYGKSAAPTEYIGKAEYGLAEFREKKETTFIANPGCYATATLLGLAPLATNKLIDPTSIIVDAKSGISGAGKVPSASTHFTETNENMTLYKMNSHQHIPEIMQQLTKWDESIPAIQFSTSLIPITRGIFTTIYVKPKNPITQKELHKLYESTYDNAPFVRIQPENVYPTVKQVTASNYCDIGLAYNEKTNVITIVSVIDNLVKGAAGQAIQNLNIMANFAESDGLRFIPVYP
Consensus
[pKd Mean = 10.30]
-2190
(s=112)
19
(s=0)
MKVSIIGATGYGGLELIRLLHQHSSVDIATLHSFSAQAETLATFYPHLKDLAVSPLEKINPTEIIEKSDTVFIATPSGIAKDIALPYVDAGLNVIDLSGDFRLKDRQLYEKWYGKSAAPTEYIGKAEYGLAEFREKKETTFIANPGCYATATLLGLAPLATNKLIDPTSIIVDAKSGISGAGKVPSASTHFTETNENMTLYKMNSHQHIPEIMQQLTKWDESIPAIQFSTSLIPITRGIFTTIYVKPKNPITQKELHKLYESTYDNAPFVRIQPENVYPTVKQVTASNYCDIGLAYNEKTNVITIVSVIDNLVKGAAGQAIQNLNIMANFAESDGLRFIPVYP