Study : bsu02490 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: FMT_A_2(3VDG) / Model_65(3VDG/A) = [3.4] Download166.481.59MSSPIQEQVQKEKRSNIPSISEMKVIPVAGHDSMLLNLSGAHSPFFTRNIVILTDSSGNQGVGEVPGGEHIRRTLELSEPLVVGKSIGAYQAILQTVRKQFGDQDRGGRGNQTFDLRTTVHAVTALEAALLDLLGKFLQEPVAALLGEGKQRDEVKMLGYLFYIGDRNRTTLPYQSDEQSDCAWFRLRHEEALTPEAIVRLAESAQERYGFQDFKLKGGVLRGEEEIEAVTALSKRFPEARITLDPNGAWSLEEAIALCKGKQDVLAYAEDPCGDENGYSAREVMAEFRRATGLPTATNMIATDWREMGHAIQLHAVDIPLADPHFWTMQGSVRVAQMCHDWGLTWGSHSNNHFDISLAMFTHVAAAAPGRITAIDTHWIWQDGQRLTKQPFEISSGCVKVPDKPGLGVDIDMEQVEKAHEIYRKMNLGARNDAIPMQFLISNWEFDRKRPCLVR
Complex: FMT_A_2(3VDG) / Model_77(3VDG/A) = [3.4] Download373.079.07MSSPIQEQVQKEKRSNIPSISEMKVIPVAGHDSMLLNLSGAHSPFFTRNIVILTDSSGNQGVGEVPGGEHIRRTLELSEPLVVGKSIGAYQAILQTVRKQFGDQDRGGRGNQTFDLRTTVHAVTALEAALLDLLGKFLQEPVAALLGEGKQRDEVKMLGYLFYIGDRNRTTLPYQSDEQSDCAWFRLRHEEALTPEAIVRLAESAQERYGFQDFKLKGGVLRGEEEIEAVTALSKRFPEARITLDPNGAWSLEEAIALCKGKQDVLAYAEDPCGDENGYSAREVMAEFRRATGLPTATNMIATDWREMGHAIQLHAVDIPLADPHFWTMQGSVRVAQMCHDWGLTWGSHSNNHFDISLAMFTHVAAAAPGRITAIDTHWIWQDGQRLTKQPFEISSGCVKVPDKPGLGVDIDMEQVEKAHEIYRKMNLGARNDAIPMQFLISNWEFDRKRPCLVR
Complex: FMT_A_4(3VC6) / Model_68(3VC6/A) = [3.4] Download120.36-12.17MSSPIQEQVQKEKRSNIPSISEMKVIPVAGHDSMLLNLSGAHSPFFTRNIVILTDSSGNQGVGEVPGGEHIRRTLELSEPLVVGKSIGAYQAILQTVRKQFGDQDRGGRGNQTFDLRTTVHAVTALEAALLDLLGKFLQEPVAALLGEGKQRDEVKMLGYLFYIGDRNRTTLPYQSDEQSDCAWFRLRHEEALTPEAIVRLAESAQERYGFQDFKLKGGVLRGEEEIEAVTALSKRFPEARITLDPNGAWSLEEAIALCKGKQDVLAYAEDPCGDENGYSAREVMAEFRRATGLPTATNMIATDWREMGHAIQLHAVDIPLADPHFWTMQGSVRVAQMCHDWGLTWGSHSNNHFDISLAMFTHVAAAAPGRITAIDTHWIWQDGQRLTKQPFEISSGCVKVPDKPGLGVDIDMEQVEKAHEIYRKMNLGARNDAIPMQFLISNWEFDRKRPCLVR
Complex: FMT_A_4(3VA8) / Model_63(3VA8/A) = [3.5] Download154.75-2.23MSSPIQEQVQKEKRSNIPSISEMKVIPVAGHDSMLLNLSGAHSPFFTRNIVILTDSSGNQGVGEVPGGEHIRRTLELSEPLVVGKSIGAYQAILQTVRKQFGDQDRGGRGNQTFDLRTTVHAVTALEAALLDLLGKFLQEPVAALLGEGKQRDEVKMLGYLFYIGDRNRTTLPYQSDEQSDCAWFRLRHEEALTPEAIVRLAESAQERYGFQDFKLKGGVLRGEEEIEAVTALSKRFPEARITLDPNGAWSLEEAIALCKGKQDVLAYAEDPCGDENGYSAREVMAEFRRATGLPTATNMIATDWREMGHAIQLHAVDIPLADPHFWTMQGSVRVAQMCHDWGLTWGSHSNNHFDISLAMFTHVAAAAPGRITAIDTHWIWQDGQRLTKQPFEISSGCVKVPDKPGLGVDIDMEQVEKAHEIYRKMNLGARNDAIPMQFLISNWEFDRKRPCLVR
Complex: FMT_A_4(3VA8) / Model_83(3VA8/A) = [3.5] Download176.17-1.77MSSPIQEQVQKEKRSNIPSISEMKVIPVAGHDSMLLNLSGAHSPFFTRNIVILTDSSGNQGVGEVPGGEHIRRTLELSEPLVVGKSIGAYQAILQTVRKQFGDQDRGGRGNQTFDLRTTVHAVTALEAALLDLLGKFLQEPVAALLGEGKQRDEVKMLGYLFYIGDRNRTTLPYQSDEQSDCAWFRLRHEEALTPEAIVRLAESAQERYGFQDFKLKGGVLRGEEEIEAVTALSKRFPEARITLDPNGAWSLEEAIALCKGKQDVLAYAEDPCGDENGYSAREVMAEFRRATGLPTATNMIATDWREMGHAIQLHAVDIPLADPHFWTMQGSVRVAQMCHDWGLTWGSHSNNHFDISLAMFTHVAAAAPGRITAIDTHWIWQDGQRLTKQPFEISSGCVKVPDKPGLGVDIDMEQVEKAHEIYRKMNLGARNDAIPMQFLISNWEFDRKRPCLVR
Consensus
[pKd Mean = 3.44]
-198
(s=89)
-1
(s=6)
MSSPIQEQVQKEKRSNIPSISEMKVIPVAGHDSMLLNLSGAHSPFFTRNIVILTDSSGNQGVGEVPGGEHIRRTLELSEPLVVGKSIGAYQAILQTVRKQFGDQDRGGRGNQTFDLRTTVHAVTALEAALLDLLGKFLQEPVAALLGEGKQRDEVKMLGYLFYIGDRNRTTLPYQSDEQSDCAWFRLRHEEALTPEAIVRLAESAQERYGFQDFKLKGGVLRGEEEIEAVTALSKRFPEARITLDPNGAWSLEEAIALCKGKQDVLAYAEDPCGDENGYSAREVMAEFRRATGLPTATNMIATDWREMGHAIQLHAVDIPLADPHFWTMQGSVRVAQMCHDWGLTWGSHSNNHFDISLAMFTHVAAAAPGRITAIDTHWIWQDGQRLTKQPFEISSGCVKVPDKPGLGVDIDMEQVEKAHEIYRKMNLGARNDAIPMQFLISNWEFDRKRPCLVR