Study : Rv1193 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: MCA_A_2(3NYQ) / Model_1(3NYQ/A) = [5.2] Download1319.5721.85MLLASLNPAVVSAADIADAVRIDGDVLSRSDLVGAATSVAERVAGAHRVAVLATPTASTVLAITGCLIAGVPVVPVPADVGVTERRHMLTDSGVQAWLGPLPDDPAGLPHIPVRTHARSWHRYPEPSPGAIAMVVYTSGTTGPPKGVQLSRRAIAADLDALAEAWQWTAEDVLVHGLPLYHVHGLVLGLLGSLRFGNRFVHTGKPTPAGYAQACYEAHGTLFFGVPTVWSRVAADQAAAGALKPARLLVSGSAALPVPVFDKLVQLTGHRPVERYGASESLITLSTRADGERRPGWVGLPLAGVQTRLVDDDGGEVPHDGETVGKLQVRGPTLFDGYLNQPDATAAAFDADSWYRTGDVAVVDGSGMHRIVGRESVDLIKSGGYRVGAGEIETVLLGHPDVAEAAVVGVPDDDLGQRIVAYVVGSANVDADGLINFVAQQLSVHKRPREVRIVDALPRNALGKVLKKQLLSEG
Complex: AMP_A_3(3NYR) / Model_2(3NYR/A) = [5.5] Download913.409.66MLLASLNPAVVSAADIADAVRIDGDVLSRSDLVGAATSVAERVAGAHRVAVLATPTASTVLAITGCLIAGVPVVPVPADVGVTERRHMLTDSGVQAWLGPLPDDPAGLPHIPVRTHARSWHRYPEPSPGAIAMVVYTSGTTGPPKGVQLSRRAIAADLDALAEAWQWTAEDVLVHGLPLYHVHGLVLGLLGSLRFGNRFVHTGKPTPAGYAQACYEAHGTLFFGVPTVWSRVAADQAAAGALKPARLLVSGSAALPVPVFDKLVQLTGHRPVERYGASESLITLSTRADGERRPGWVGLPLAGVQTRLVDDDGGEVPHDGETVGKLQVRGPTLFDGYLNQPDATAAAFDADSWYRTGDVAVVDGSGMHRIVGRESVDLIKSGGYRVGAGEIETVLLGHPDVAEAAVVGVPDDDLGQRIVAYVVGSANVDADGLINFVAQQLSVHKRPREVRIVDALPRNALGKVLKKQLLSEG
Complex: AMP_A_3(3NYQ) / Model_1(3NYQ/A) = [5.6] Download955.759.66MLLASLNPAVVSAADIADAVRIDGDVLSRSDLVGAATSVAERVAGAHRVAVLATPTASTVLAITGCLIAGVPVVPVPADVGVTERRHMLTDSGVQAWLGPLPDDPAGLPHIPVRTHARSWHRYPEPSPGAIAMVVYTSGTTGPPKGVQLSRRAIAADLDALAEAWQWTAEDVLVHGLPLYHVHGLVLGLLGSLRFGNRFVHTGKPTPAGYAQACYEAHGTLFFGVPTVWSRVAADQAAAGALKPARLLVSGSAALPVPVFDKLVQLTGHRPVERYGASESLITLSTRADGERRPGWVGLPLAGVQTRLVDDDGGEVPHDGETVGKLQVRGPTLFDGYLNQPDATAAAFDADSWYRTGDVAVVDGSGMHRIVGRESVDLIKSGGYRVGAGEIETVLLGHPDVAEAAVVGVPDDDLGQRIVAYVVGSANVDADGLINFVAQQLSVHKRPREVRIVDALPRNALGKVLKKQLLSEG
Complex: MLC_A_2(3NYR) / Model_2(3NYR/A) = [6.6] Download1130.3520.21MLLASLNPAVVSAADIADAVRIDGDVLSRSDLVGAATSVAERVAGAHRVAVLATPTASTVLAITGCLIAGVPVVPVPADVGVTERRHMLTDSGVQAWLGPLPDDPAGLPHIPVRTHARSWHRYPEPSPGAIAMVVYTSGTTGPPKGVQLSRRAIAADLDALAEAWQWTAEDVLVHGLPLYHVHGLVLGLLGSLRFGNRFVHTGKPTPAGYAQACYEAHGTLFFGVPTVWSRVAADQAAAGALKPARLLVSGSAALPVPVFDKLVQLTGHRPVERYGASESLITLSTRADGERRPGWVGLPLAGVQTRLVDDDGGEVPHDGETVGKLQVRGPTLFDGYLNQPDATAAAFDADSWYRTGDVAVVDGSGMHRIVGRESVDLIKSGGYRVGAGEIETVLLGHPDVAEAAVVGVPDDDLGQRIVAYVVGSANVDADGLINFVAQQLSVHKRPREVRIVDALPRNALGKVLKKQLLSEG
Consensus
[pKd Mean = 5.72]		-1079
(s=160)		15
(s=5)		MLLASLNPAVVSAADIADAVRIDGDVLSRSDLVGAATSVAERVAGAHRVAVLATPTASTVLAITGCLIAGVPVVPVPADVGVTERRHMLTDSGVQAWLGPLPDDPAGLPHIPVRTHARSWHRYPEPSPGAIAMVVYTSGTTGPPKGVQLSRRAIAADLDALAEAWQWTAEDVLVHGLPLYHVHGLVLGLLGSLRFGNRFVHTGKPTPAGYAQACYEAHGTLFFGVPTVWSRVAADQAAAGALKPARLLVSGSAALPVPVFDKLVQLTGHRPVERYGASESLITLSTRADGERRPGWVGLPLAGVQTRLVDDDGGEVPHDGETVGKLQVRGPTLFDGYLNQPDATAAAFDADSWYRTGDVAVVDGSGMHRIVGRESVDLIKSGGYRVGAGEIETVLLGHPDVAEAAVVGVPDDDLGQRIVAYVVGSANVDADGLINFVAQQLSVHKRPREVRIVDALPRNALGKVLKKQLLSEG