Study : Lmo0014 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: HEA_A_6(3HB3) / Model_4(3HB3/A) = [12.8] Download763.3032.70MKWNEFIVTGDPMILGAQISIVLVSIGVVALLTYTKKWKWLMKEWISSVDHKKIGIMYLLAAVLMFFRGGVDALMMRTQLALPDMKFLDAQHYNEVFSTHGTIMILFMAMPFIIGLMNIAVPLQIGARDVAFPFLNNLSFWTFFMGAMLFNLSFVIGGSPDAGWTNYAPLATDFSAGYGINFYLLGVQIAGIGTLMTGINFFVTILRMRTKGMTLMKMPMFTWSSLITSLIIIFAFPVLTVALALMSFDRLFGTAFFTLTNGGLPMMWANLFWVWGHPEVYIVILPAFGIFSEIISTFSRKKLFGYPAMVAAMAVISLLSFLVWVHHFFTMGSGALVNSFFSITTMMIAIPTGIKIFNWLFTMYKGRITFTTPMLWSLAFIPNFVVGGVTGVMLAMAAADYQYHNTYFLVSHFHYVLIAGTVFSCFAGLTYWYPKMVGYRLNEKIGKWFFWIFVVGFNVCFFPQYFLGLDGMPRRIYTYVQGDGWTTLNFISTVGGFLMGVAFLVLCYNIYYSYKNSKREVTGDPWDARTLEWATSSAVPPKYNFAVLPEWNDLDDFWNRKQKGDPYVNDKNYKPIHMPSNTMVGFVMSVFFFIAGFGLVFYWYWMGIIGLVGILGCMIYRSFQNNDGYHVEVEEIKATEEHNARELATGVKEGNPWNL
Complex: HEA_A_11(1AR1) / Model_3(1AR1/A) = [13.1] Download754.7832.10MKWNEFIVTGDPMILGAQISIVLVSIGVVALLTYTKKWKWLMKEWISSVDHKKIGIMYLLAAVLMFFRGGVDALMMRTQLALPDMKFLDAQHYNEVFSTHGTIMILFMAMPFIIGLMNIAVPLQIGARDVAFPFLNNLSFWTFFMGAMLFNLSFVIGGSPDAGWTNYAPLATDFSAGYGINFYLLGVQIAGIGTLMTGINFFVTILRMRTKGMTLMKMPMFTWSSLITSLIIIFAFPVLTVALALMSFDRLFGTAFFTLTNGGLPMMWANLFWVWGHPEVYIVILPAFGIFSEIISTFSRKKLFGYPAMVAAMAVISLLSFLVWVHHFFTMGSGALVNSFFSITTMMIAIPTGIKIFNWLFTMYKGRITFTTPMLWSLAFIPNFVVGGVTGVMLAMAAADYQYHNTYFLVSHFHYVLIAGTVFSCFAGLTYWYPKMVGYRLNEKIGKWFFWIFVVGFNVCFFPQYFLGLDGMPRRIYTYVQGDGWTTLNFISTVGGFLMGVAFLVLCYNIYYSYKNSKREVTGDPWDARTLEWATSSAVPPKYNFAVLPEWNDLDDFWNRKQKGDPYVNDKNYKPIHMPSNTMVGFVMSVFFFIAGFGLVFYWYWMGIIGLVGILGCMIYRSFQNNDGYHVEVEEIKATEEHNARELATGVKEGNPWNL
Complex: HEA_A_11(1AR1) / Model_49(1AR1/A) = [13.1] Download697.4532.10MKWNEFIVTGDPMILGAQISIVLVSIGVVALLTYTKKWKWLMKEWISSVDHKKIGIMYLLAAVLMFFRGGVDALMMRTQLALPDMKFLDAQHYNEVFSTHGTIMILFMAMPFIIGLMNIAVPLQIGARDVAFPFLNNLSFWTFFMGAMLFNLSFVIGGSPDAGWTNYAPLATDFSAGYGINFYLLGVQIAGIGTLMTGINFFVTILRMRTKGMTLMKMPMFTWSSLITSLIIIFAFPVLTVALALMSFDRLFGTAFFTLTNGGLPMMWANLFWVWGHPEVYIVILPAFGIFSEIISTFSRKKLFGYPAMVAAMAVISLLSFLVWVHHFFTMGSGALVNSFFSITTMMIAIPTGIKIFNWLFTMYKGRITFTTPMLWSLAFIPNFVVGGVTGVMLAMAAADYQYHNTYFLVSHFHYVLIAGTVFSCFAGLTYWYPKMVGYRLNEKIGKWFFWIFVVGFNVCFFPQYFLGLDGMPRRIYTYVQGDGWTTLNFISTVGGFLMGVAFLVLCYNIYYSYKNSKREVTGDPWDARTLEWATSSAVPPKYNFAVLPEWNDLDDFWNRKQKGDPYVNDKNYKPIHMPSNTMVGFVMSVFFFIAGFGLVFYWYWMGIIGLVGILGCMIYRSFQNNDGYHVEVEEIKATEEHNARELATGVKEGNPWNL
Consensus
[pKd Mean = 13.00]		-738
(s=29)		32
(s=0)		MKWNEFIVTGDPMILGAQISIVLVSIGVVALLTYTKKWKWLMKEWISSVDHKKIGIMYLLAAVLMFFRGGVDALMMRTQLALPDMKFLDAQHYNEVFSTHGTIMILFMAMPFIIGLMNIAVPLQIGARDVAFPFLNNLSFWTFFMGAMLFNLSFVIGGSPDAGWTNYAPLATDFSAGYGINFYLLGVQIAGIGTLMTGINFFVTILRMRTKGMTLMKMPMFTWSSLITSLIIIFAFPVLTVALALMSFDRLFGTAFFTLTNGGLPMMWANLFWVWGHPEVYIVILPAFGIFSEIISTFSRKKLFGYPAMVAAMAVISLLSFLVWVHHFFTMGSGALVNSFFSITTMMIAIPTGIKIFNWLFTMYKGRITFTTPMLWSLAFIPNFVVGGVTGVMLAMAAADYQYHNTYFLVSHFHYVLIAGTVFSCFAGLTYWYPKMVGYRLNEKIGKWFFWIFVVGFNVCFFPQYFLGLDGMPRRIYTYVQGDGWTTLNFISTVGGFLMGVAFLVLCYNIYYSYKNSKREVTGDPWDARTLEWATSSAVPPKYNFAVLPEWNDLDDFWNRKQKGDPYVNDKNYKPIHMPSNTMVGFVMSVFFFIAGFGLVFYWYWMGIIGLVGILGCMIYRSFQNNDGYHVEVEEIKATEEHNARELATGVKEGNPWNL