Study : Wbm0019 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: CHAIN_W_22(3H1C) / Model_27(3H1C/V) = [3.8] Download--MFEIIKKSIEWGGRTLSLETGKIARQADGSVVVNYGDTSILVTVVRKKKEEIVDFLPLNVQFIAKSYAMGRIPGGFFKREGKPSDRETLISRVIDRSIRPLFLEGFHDEISIVCNLLTYDTVNPPEVPALIGAVAALAISGVPFHFIIAGVLVGCDGNNNYILNPSVQEMKVSSLDLFLSGDERSILMVESEAKELPEENILNAIKFGHEHLQPVIKLIKEFADTIGNKFDSFAPIDISDIMQDLEKHSKDFEEAYSQTVKQERAQTLETIRNNILNPLKEAGKDEKLITQAVKNFERSLLRKIIREKGTRIDGRKYDEIRQIEVEVDILSRTHGSALFTRGSTQALVVTALGTTQDEQIVDDIEGDRREHFMLHYNFPSFAVGDASAIRAPGRREIGHGKLAWKAIHPVLPDKSEFPYTIRVVSEIMESDGSSSMATVCGTSLALMDTGVPIKSPVAGIAMGLIKDKNDYVILSDILGDEDYLGDMDFKVAGTSEGITALQMDMKISGISFEIVEKSLEQAKAGRLHILEKMNSVISEHSDDVKGHAPRMVSFYIDKDKISAAIGAKGKNIRSVCERSNAKIEIGDDGKVSVFAMSSAEAEIAKNMMIDSITELEQGAIVDVKVVKIDKSIVELELFNGRKGKMHISEVANQHIESIESILKQGDTFKALVIDFEKGGCPKLSRRRVDQETGDFFEGELYNEEKKDSSNDRDYYNSPFNRKSGHRKRPVHSRSSFSNRNNRPKFGNDDSSSSFY
Complex: CHAIN_L_12(3H1C) / Model_32(3H1C/K) = [4.0] Download--MFEIIKKSIEWGGRTLSLETGKIARQADGSVVVNYGDTSILVTVVRKKKEEIVDFLPLNVQFIAKSYAMGRIPGGFFKREGKPSDRETLISRVIDRSIRPLFLEGFHDEISIVCNLLTYDTVNPPEVPALIGAVAALAISGVPFHFIIAGVLVGCDGNNNYILNPSVQEMKVSSLDLFLSGDERSILMVESEAKELPEENILNAIKFGHEHLQPVIKLIKEFADTIGNKFDSFAPIDISDIMQDLEKHSKDFEEAYSQTVKQERAQTLETIRNNILNPLKEAGKDEKLITQAVKNFERSLLRKIIREKGTRIDGRKYDEIRQIEVEVDILSRTHGSALFTRGSTQALVVTALGTTQDEQIVDDIEGDRREHFMLHYNFPSFAVGDASAIRAPGRREIGHGKLAWKAIHPVLPDKSEFPYTIRVVSEIMESDGSSSMATVCGTSLALMDTGVPIKSPVAGIAMGLIKDKNDYVILSDILGDEDYLGDMDFKVAGTSEGITALQMDMKISGISFEIVEKSLEQAKAGRLHILEKMNSVISEHSDDVKGHAPRMVSFYIDKDKISAAIGAKGKNIRSVCERSNAKIEIGDDGKVSVFAMSSAEAEIAKNMMIDSITELEQGAIVDVKVVKIDKSIVELELFNGRKGKMHISEVANQHIESIESILKQGDTFKALVIDFEKGGCPKLSRRRVDQETGDFFEGELYNEEKKDSSNDRDYYNSPFNRKSGHRKRPVHSRSSFSNRNNRPKFGNDDSSSSFY
Complex: CHAIN_U_20(3H1C) / Model_28(3H1C/T) = [4.3] Download--MFEIIKKSIEWGGRTLSLETGKIARQADGSVVVNYGDTSILVTVVRKKKEEIVDFLPLNVQFIAKSYAMGRIPGGFFKREGKPSDRETLISRVIDRSIRPLFLEGFHDEISIVCNLLTYDTVNPPEVPALIGAVAALAISGVPFHFIIAGVLVGCDGNNNYILNPSVQEMKVSSLDLFLSGDERSILMVESEAKELPEENILNAIKFGHEHLQPVIKLIKEFADTIGNKFDSFAPIDISDIMQDLEKHSKDFEEAYSQTVKQERAQTLETIRNNILNPLKEAGKDEKLITQAVKNFERSLLRKIIREKGTRIDGRKYDEIRQIEVEVDILSRTHGSALFTRGSTQALVVTALGTTQDEQIVDDIEGDRREHFMLHYNFPSFAVGDASAIRAPGRREIGHGKLAWKAIHPVLPDKSEFPYTIRVVSEIMESDGSSSMATVCGTSLALMDTGVPIKSPVAGIAMGLIKDKNDYVILSDILGDEDYLGDMDFKVAGTSEGITALQMDMKISGISFEIVEKSLEQAKAGRLHILEKMNSVISEHSDDVKGHAPRMVSFYIDKDKISAAIGAKGKNIRSVCERSNAKIEIGDDGKVSVFAMSSAEAEIAKNMMIDSITELEQGAIVDVKVVKIDKSIVELELFNGRKGKMHISEVANQHIESIESILKQGDTFKALVIDFEKGGCPKLSRRRVDQETGDFFEGELYNEEKKDSSNDRDYYNSPFNRKSGHRKRPVHSRSSFSNRNNRPKFGNDDSSSSFY
Complex: CHAIN_J_10(3H1C) / Model_33(3H1C/I) = [4.4] Download--MFEIIKKSIEWGGRTLSLETGKIARQADGSVVVNYGDTSILVTVVRKKKEEIVDFLPLNVQFIAKSYAMGRIPGGFFKREGKPSDRETLISRVIDRSIRPLFLEGFHDEISIVCNLLTYDTVNPPEVPALIGAVAALAISGVPFHFIIAGVLVGCDGNNNYILNPSVQEMKVSSLDLFLSGDERSILMVESEAKELPEENILNAIKFGHEHLQPVIKLIKEFADTIGNKFDSFAPIDISDIMQDLEKHSKDFEEAYSQTVKQERAQTLETIRNNILNPLKEAGKDEKLITQAVKNFERSLLRKIIREKGTRIDGRKYDEIRQIEVEVDILSRTHGSALFTRGSTQALVVTALGTTQDEQIVDDIEGDRREHFMLHYNFPSFAVGDASAIRAPGRREIGHGKLAWKAIHPVLPDKSEFPYTIRVVSEIMESDGSSSMATVCGTSLALMDTGVPIKSPVAGIAMGLIKDKNDYVILSDILGDEDYLGDMDFKVAGTSEGITALQMDMKISGISFEIVEKSLEQAKAGRLHILEKMNSVISEHSDDVKGHAPRMVSFYIDKDKISAAIGAKGKNIRSVCERSNAKIEIGDDGKVSVFAMSSAEAEIAKNMMIDSITELEQGAIVDVKVVKIDKSIVELELFNGRKGKMHISEVANQHIESIESILKQGDTFKALVIDFEKGGCPKLSRRRVDQETGDFFEGELYNEEKKDSSNDRDYYNSPFNRKSGHRKRPVHSRSSFSNRNNRPKFGNDDSSSSFY
Complex: CHAIN_N_14(3H1C) / Model_31(3H1C/M) = [4.7] Download--MFEIIKKSIEWGGRTLSLETGKIARQADGSVVVNYGDTSILVTVVRKKKEEIVDFLPLNVQFIAKSYAMGRIPGGFFKREGKPSDRETLISRVIDRSIRPLFLEGFHDEISIVCNLLTYDTVNPPEVPALIGAVAALAISGVPFHFIIAGVLVGCDGNNNYILNPSVQEMKVSSLDLFLSGDERSILMVESEAKELPEENILNAIKFGHEHLQPVIKLIKEFADTIGNKFDSFAPIDISDIMQDLEKHSKDFEEAYSQTVKQERAQTLETIRNNILNPLKEAGKDEKLITQAVKNFERSLLRKIIREKGTRIDGRKYDEIRQIEVEVDILSRTHGSALFTRGSTQALVVTALGTTQDEQIVDDIEGDRREHFMLHYNFPSFAVGDASAIRAPGRREIGHGKLAWKAIHPVLPDKSEFPYTIRVVSEIMESDGSSSMATVCGTSLALMDTGVPIKSPVAGIAMGLIKDKNDYVILSDILGDEDYLGDMDFKVAGTSEGITALQMDMKISGISFEIVEKSLEQAKAGRLHILEKMNSVISEHSDDVKGHAPRMVSFYIDKDKISAAIGAKGKNIRSVCERSNAKIEIGDDGKVSVFAMSSAEAEIAKNMMIDSITELEQGAIVDVKVVKIDKSIVELELFNGRKGKMHISEVANQHIESIESILKQGDTFKALVIDFEKGGCPKLSRRRVDQETGDFFEGELYNEEKKDSSNDRDYYNSPFNRKSGHRKRPVHSRSSFSNRNNRPKFGNDDSSSSFY
Consensus
[pKd Mean = 4.24]
-0
(s=0)
0
(s=0)
MFEIIKKSIEWGGRTLSLETGKIARQADGSVVVNYGDTSILVTVVRKKKEEIVDFLPLNVQFIAKSYAMGRIPGGFFKREGKPSDRETLISRVIDRSIRPLFLEGFHDEISIVCNLLTYDTVNPPEVPALIGAVAALAISGVPFHFIIAGVLVGCDGNNNYILNPSVQEMKVSSLDLFLSGDERSILMVESEAKELPEENILNAIKFGHEHLQPVIKLIKEFADTIGNKFDSFAPIDISDIMQDLEKHSKDFEEAYSQTVKQERAQTLETIRNNILNPLKEAGKDEKLITQAVKNFERSLLRKIIREKGTRIDGRKYDEIRQIEVEVDILSRTHGSALFTRGSTQALVVTALGTTQDEQIVDDIEGDRREHFMLHYNFPSFAVGDASAIRAPGRREIGHGKLAWKAIHPVLPDKSEFPYTIRVVSEIMESDGSSSMATVCGTSLALMDTGVPIKSPVAGIAMGLIKDKNDYVILSDILGDEDYLGDMDFKVAGTSEGITALQMDMKISGISFEIVEKSLEQAKAGRLHILEKMNSVISEHSDDVKGHAPRMVSFYIDKDKISAAIGAKGKNIRSVCERSNAKIEIGDDGKVSVFAMSSAEAEIAKNMMIDSITELEQGAIVDVKVVKIDKSIVELELFNGRKGKMHISEVANQHIESIESILKQGDTFKALVIDFEKGGCPKLSRRRVDQETGDFFEGELYNEEKKDSSNDRDYYNSPFNRKSGHRKRPVHSRSSFSNRNNRPKFGNDDSSSSFY