Study : Wbm0605 (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: LEU_A_2(1H3N) / Model_12(1H3N/A) = [3.2] Download17797.8718.37MKYDFKNVEKFYQDRWDFSIGKNNEQGKCYVLEMFPYPSGKIHMGHLRNYVIGDVIARYKRACGFEVLHPIGWDAFGLPAENAARDNNVNPAAWTKENIDNMRAQLKSIGLSYNWERELSTCEADYYKHEQKFFLDFLKQGLVYRKKSWVNWDPIDQTVLANEQVVDGKGWRSGAIVEKRELSQWFLKITDFAEDLLECLQGLENWPEKVKMMQDRWIGKSEGVTIEFKIVGLNKKLKVFTTCPHTLFGASFCAVAIEHPIVQDLMSKEIQDLISSIKIQGKNNEKVGIYTGLNVKHPFLDKELPLYVANFVLMEYREGAIFGCPAHDQRDFEFAQEYDLPIIPVISSARLGIIPACDQGSYTGSQCQATRMADGLNEEYTNNSIMFNSEFLNGLTVSEARKVIVEKLEEKGIGKKTINYRLHDWGVSRQRYWGCPIPVIYCKNCGTVPVPEEDLPVTLPTDVDFTSGGNPLDKHPTWKFVNCPKCKEQAERETDTFDTFFESSWYFAAFCSENKSIDKNACNRFMPVDYYIGGIEHAILHLLYSRFFCRALTKCGYFNVKEPFSTLITQGMVCHVTYKDKNGKWLFPEEAKRLITQGAKIQVGKVEKMSKSKKNTVDPNFIIEKYGADTARLFVLSDTPPEKDMEWSNDGVEGCSRYINKLWRMVMQFKPVVILNQSPVKQVADTEIQKEDMLSHAGMIPDKNVTGKFLGYRKKIHKLLHGLTDDLENCRLNCVVAKFREMTNLIAEIDVKTGKSLINEGICILIRVVEPFIPHLAESLWREIGGEGMLYLQPWPKAAKSLLIDDVVTVAVQINGKLRATIEVAINLHQEELKQIAINSVSNRVDQSKVRAVYAVSNKIVNIVT
Complex: LEU_A_2(2V0C) / Model_15(2V0C/A) = [3.2] Download21038.1618.22MKYDFKNVEKFYQDRWDFSIGKNNEQGKCYVLEMFPYPSGKIHMGHLRNYVIGDVIARYKRACGFEVLHPIGWDAFGLPAENAARDNNVNPAAWTKENIDNMRAQLKSIGLSYNWERELSTCEADYYKHEQKFFLDFLKQGLVYRKKSWVNWDPIDQTVLANEQVVDGKGWRSGAIVEKRELSQWFLKITDFAEDLLECLQGLENWPEKVKMMQDRWIGKSEGVTIEFKIVGLNKKLKVFTTCPHTLFGASFCAVAIEHPIVQDLMSKEIQDLISSIKIQGKNNEKVGIYTGLNVKHPFLDKELPLYVANFVLMEYREGAIFGCPAHDQRDFEFAQEYDLPIIPVISSARLGIIPACDQGSYTGSQCQATRMADGLNEEYTNNSIMFNSEFLNGLTVSEARKVIVEKLEEKGIGKKTINYRLHDWGVSRQRYWGCPIPVIYCKNCGTVPVPEEDLPVTLPTDVDFTSGGNPLDKHPTWKFVNCPKCKEQAERETDTFDTFFESSWYFAAFCSENKSIDKNACNRFMPVDYYIGGIEHAILHLLYSRFFCRALTKCGYFNVKEPFSTLITQGMVCHVTYKDKNGKWLFPEEAKRLITQGAKIQVGKVEKMSKSKKNTVDPNFIIEKYGADTARLFVLSDTPPEKDMEWSNDGVEGCSRYINKLWRMVMQFKPVVILNQSPVKQVADTEIQKEDMLSHAGMIPDKNVTGKFLGYRKKIHKLLHGLTDDLENCRLNCVVAKFREMTNLIAEIDVKTGKSLINEGICILIRVVEPFIPHLAESLWREIGGEGMLYLQPWPKAAKSLLIDDVVTVAVQINGKLRATIEVAINLHQEELKQIAINSVSNRVDQSKVRAVYAVSNKIVNIVT
Complex: LMS_A_7(1OBC) / Model_13(1OBC/A) = [6.3] Download662.1721.48MKYDFKNVEKFYQDRWDFSIGKNNEQGKCYVLEMFPYPSGKIHMGHLRNYVIGDVIARYKRACGFEVLHPIGWDAFGLPAENAARDNNVNPAAWTKENIDNMRAQLKSIGLSYNWERELSTCEADYYKHEQKFFLDFLKQGLVYRKKSWVNWDPIDQTVLANEQVVDGKGWRSGAIVEKRELSQWFLKITDFAEDLLECLQGLENWPEKVKMMQDRWIGKSEGVTIEFKIVGLNKKLKVFTTCPHTLFGASFCAVAIEHPIVQDLMSKEIQDLISSIKIQGKNNEKVGIYTGLNVKHPFLDKELPLYVANFVLMEYREGAIFGCPAHDQRDFEFAQEYDLPIIPVISSARLGIIPACDQGSYTGSQCQATRMADGLNEEYTNNSIMFNSEFLNGLTVSEARKVIVEKLEEKGIGKKTINYRLHDWGVSRQRYWGCPIPVIYCKNCGTVPVPEEDLPVTLPTDVDFTSGGNPLDKHPTWKFVNCPKCKEQAERETDTFDTFFESSWYFAAFCSENKSIDKNACNRFMPVDYYIGGIEHAILHLLYSRFFCRALTKCGYFNVKEPFSTLITQGMVCHVTYKDKNGKWLFPEEAKRLITQGAKIQVGKVEKMSKSKKNTVDPNFIIEKYGADTARLFVLSDTPPEKDMEWSNDGVEGCSRYINKLWRMVMQFKPVVILNQSPVKQVADTEIQKEDMLSHAGMIPDKNVTGKFLGYRKKIHKLLHGLTDDLENCRLNCVVAKFREMTNLIAEIDVKTGKSLINEGICILIRVVEPFIPHLAESLWREIGGEGMLYLQPWPKAAKSLLIDDVVTVAVQINGKLRATIEVAINLHQEELKQIAINSVSNRVDQSKVRAVYAVSNKIVNIVT
Complex: LMS_A_3(1H3N) / Model_12(1H3N/A) = [6.3] Download827.0021.48MKYDFKNVEKFYQDRWDFSIGKNNEQGKCYVLEMFPYPSGKIHMGHLRNYVIGDVIARYKRACGFEVLHPIGWDAFGLPAENAARDNNVNPAAWTKENIDNMRAQLKSIGLSYNWERELSTCEADYYKHEQKFFLDFLKQGLVYRKKSWVNWDPIDQTVLANEQVVDGKGWRSGAIVEKRELSQWFLKITDFAEDLLECLQGLENWPEKVKMMQDRWIGKSEGVTIEFKIVGLNKKLKVFTTCPHTLFGASFCAVAIEHPIVQDLMSKEIQDLISSIKIQGKNNEKVGIYTGLNVKHPFLDKELPLYVANFVLMEYREGAIFGCPAHDQRDFEFAQEYDLPIIPVISSARLGIIPACDQGSYTGSQCQATRMADGLNEEYTNNSIMFNSEFLNGLTVSEARKVIVEKLEEKGIGKKTINYRLHDWGVSRQRYWGCPIPVIYCKNCGTVPVPEEDLPVTLPTDVDFTSGGNPLDKHPTWKFVNCPKCKEQAERETDTFDTFFESSWYFAAFCSENKSIDKNACNRFMPVDYYIGGIEHAILHLLYSRFFCRALTKCGYFNVKEPFSTLITQGMVCHVTYKDKNGKWLFPEEAKRLITQGAKIQVGKVEKMSKSKKNTVDPNFIIEKYGADTARLFVLSDTPPEKDMEWSNDGVEGCSRYINKLWRMVMQFKPVVILNQSPVKQVADTEIQKEDMLSHAGMIPDKNVTGKFLGYRKKIHKLLHGLTDDLENCRLNCVVAKFREMTNLIAEIDVKTGKSLINEGICILIRVVEPFIPHLAESLWREIGGEGMLYLQPWPKAAKSLLIDDVVTVAVQINGKLRATIEVAINLHQEELKQIAINSVSNRVDQSKVRAVYAVSNKIVNIVT
Complex: LMS_A_3(2V0C) / Model_15(2V0C/A) = [6.5] Download681.9221.48MKYDFKNVEKFYQDRWDFSIGKNNEQGKCYVLEMFPYPSGKIHMGHLRNYVIGDVIARYKRACGFEVLHPIGWDAFGLPAENAARDNNVNPAAWTKENIDNMRAQLKSIGLSYNWERELSTCEADYYKHEQKFFLDFLKQGLVYRKKSWVNWDPIDQTVLANEQVVDGKGWRSGAIVEKRELSQWFLKITDFAEDLLECLQGLENWPEKVKMMQDRWIGKSEGVTIEFKIVGLNKKLKVFTTCPHTLFGASFCAVAIEHPIVQDLMSKEIQDLISSIKIQGKNNEKVGIYTGLNVKHPFLDKELPLYVANFVLMEYREGAIFGCPAHDQRDFEFAQEYDLPIIPVISSARLGIIPACDQGSYTGSQCQATRMADGLNEEYTNNSIMFNSEFLNGLTVSEARKVIVEKLEEKGIGKKTINYRLHDWGVSRQRYWGCPIPVIYCKNCGTVPVPEEDLPVTLPTDVDFTSGGNPLDKHPTWKFVNCPKCKEQAERETDTFDTFFESSWYFAAFCSENKSIDKNACNRFMPVDYYIGGIEHAILHLLYSRFFCRALTKCGYFNVKEPFSTLITQGMVCHVTYKDKNGKWLFPEEAKRLITQGAKIQVGKVEKMSKSKKNTVDPNFIIEKYGADTARLFVLSDTPPEKDMEWSNDGVEGCSRYINKLWRMVMQFKPVVILNQSPVKQVADTEIQKEDMLSHAGMIPDKNVTGKFLGYRKKIHKLLHGLTDDLENCRLNCVVAKFREMTNLIAEIDVKTGKSLINEGICILIRVVEPFIPHLAESLWREIGGEGMLYLQPWPKAAKSLLIDDVVTVAVQINGKLRATIEVAINLHQEELKQIAINSVSNRVDQSKVRAVYAVSNKIVNIVT
Consensus
[pKd Mean = 5.10]		-8201
(s=9215)		20
(s=1)		MKYDFKNVEKFYQDRWDFSIGKNNEQGKCYVLEMFPYPSGKIHMGHLRNYVIGDVIARYKRACGFEVLHPIGWDAFGLPAENAARDNNVNPAAWTKENIDNMRAQLKSIGLSYNWERELSTCEADYYKHEQKFFLDFLKQGLVYRKKSWVNWDPIDQTVLANEQVVDGKGWRSGAIVEKRELSQWFLKITDFAEDLLECLQGLENWPEKVKMMQDRWIGKSEGVTIEFKIVGLNKKLKVFTTCPHTLFGASFCAVAIEHPIVQDLMSKEIQDLISSIKIQGKNNEKVGIYTGLNVKHPFLDKELPLYVANFVLMEYREGAIFGCPAHDQRDFEFAQEYDLPIIPVISSARLGIIPACDQGSYTGSQCQATRMADGLNEEYTNNSIMFNSEFLNGLTVSEARKVIVEKLEEKGIGKKTINYRLHDWGVSRQRYWGCPIPVIYCKNCGTVPVPEEDLPVTLPTDVDFTSGGNPLDKHPTWKFVNCPKCKEQAERETDTFDTFFESSWYFAAFCSENKSIDKNACNRFMPVDYYIGGIEHAILHLLYSRFFCRALTKCGYFNVKEPFSTLITQGMVCHVTYKDKNGKWLFPEEAKRLITQGAKIQVGKVEKMSKSKKNTVDPNFIIEKYGADTARLFVLSDTPPEKDMEWSNDGVEGCSRYINKLWRMVMQFKPVVILNQSPVKQVADTEIQKEDMLSHAGMIPDKNVTGKFLGYRKKIHKLLHGLTDDLENCRLNCVVAKFREMTNLIAEIDVKTGKSLINEGICILIRVVEPFIPHLAESLWREIGGEGMLYLQPWPKAAKSLLIDDVVTVAVQINGKLRATIEVAINLHQEELKQIAINSVSNRVDQSKVRAVYAVSNKIVNIVT