Study : Rv0248c (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: MEZ_A_8(1Y0P) / Model_112(1Y0P/A) = [4.1] Download411.9114.65MVEVERHSYDVVVIGAGGAGLRAVIEARERGLKVAVVCKSLFGKAHTVMAEGGCAAAMGNANPKDNWKTHFGDTMRGGKFLNNWRMAELHAKEAPDRVWELETYGALFDRTDDGRISQRNFGGHTYPRLAHVGDRTGLELIRTLQQKVVSLQQEDHAELGDYEARIKVFAECTITELLKDQGAIAGAFGYWRESGRFIVFEAPAVVLATGGIGKSFKVTSNSWEYTGDGHALALRAGATLINMEFVQFHPTGMVWPPSVKGILVTEGVRGDGGVLKNSENSRFMFDYIPPVFKGQYAETEEEADQWLKDNDSARRTPDLLPRDEVARAINSEVKAGRGTPHGGVYLDIASRLTPAEIKRRLPSMYHQFKELAEVDITTQAMEVGPTCHYVMGGVEVDADTGAATVPGLFAAGECAGGMHGSNRLGGNSLSDLLVFGRRAGLGAADYVRALSSRPAVSAEAIDAAAQQALSPFEGPKDGSAPENPYALHMDLQYVMNDLVGIIRNADEISRALTLLAELWSRYHNVLVEGHRQYNPGWNLSIDLRNMLLVSECVARAALQRTESRGGHTRDDHPGMDPNWRRILLVCRATETMGTGGSGSGDSNCHINVTQQLQTPMRPDLLELFEISELEKYYTDEELAEHPGRRG
Complex: TEO_A_11(1YQ3) / Model_74(1YQ3/A) = [4.9] Download223.176.19MVEVERHSYDVVVIGAGGAGLRAVIEARERGLKVAVVCKSLFGKAHTVMAEGGCAAAMGNANPKDNWKTHFGDTMRGGKFLNNWRMAELHAKEAPDRVWELETYGALFDRTDDGRISQRNFGGHTYPRLAHVGDRTGLELIRTLQQKVVSLQQEDHAELGDYEARIKVFAECTITELLKDQGAIAGAFGYWRESGRFIVFEAPAVVLATGGIGKSFKVTSNSWEYTGDGHALALRAGATLINMEFVQFHPTGMVWPPSVKGILVTEGVRGDGGVLKNSENSRFMFDYIPPVFKGQYAETEEEADQWLKDNDSARRTPDLLPRDEVARAINSEVKAGRGTPHGGVYLDIASRLTPAEIKRRLPSMYHQFKELAEVDITTQAMEVGPTCHYVMGGVEVDADTGAATVPGLFAAGECAGGMHGSNRLGGNSLSDLLVFGRRAGLGAADYVRALSSRPAVSAEAIDAAAQQALSPFEGPKDGSAPENPYALHMDLQYVMNDLVGIIRNADEISRALTLLAELWSRYHNVLVEGHRQYNPGWNLSIDLRNMLLVSECVARAALQRTESRGGHTRDDHPGMDPNWRRILLVCRATETMGTGGSGSGDSNCHINVTQQLQTPMRPDLLELFEISELEKYYTDEELAEHPGRRG
Complex: FAD_A_6(1YQ4) / Model_73(1YQ4/A) = [9.0] Download536.799.62MVEVERHSYDVVVIGAGGAGLRAVIEARERGLKVAVVCKSLFGKAHTVMAEGGCAAAMGNANPKDNWKTHFGDTMRGGKFLNNWRMAELHAKEAPDRVWELETYGALFDRTDDGRISQRNFGGHTYPRLAHVGDRTGLELIRTLQQKVVSLQQEDHAELGDYEARIKVFAECTITELLKDQGAIAGAFGYWRESGRFIVFEAPAVVLATGGIGKSFKVTSNSWEYTGDGHALALRAGATLINMEFVQFHPTGMVWPPSVKGILVTEGVRGDGGVLKNSENSRFMFDYIPPVFKGQYAETEEEADQWLKDNDSARRTPDLLPRDEVARAINSEVKAGRGTPHGGVYLDIASRLTPAEIKRRLPSMYHQFKELAEVDITTQAMEVGPTCHYVMGGVEVDADTGAATVPGLFAAGECAGGMHGSNRLGGNSLSDLLVFGRRAGLGAADYVRALSSRPAVSAEAIDAAAQQALSPFEGPKDGSAPENPYALHMDLQYVMNDLVGIIRNADEISRALTLLAELWSRYHNVLVEGHRQYNPGWNLSIDLRNMLLVSECVARAALQRTESRGGHTRDDHPGMDPNWRRILLVCRATETMGTGGSGSGDSNCHINVTQQLQTPMRPDLLELFEISELEKYYTDEELAEHPGRRG
Complex: FAD_A_5(3AE4) / Model_89(3AE4/A) = [9.9] Download653.3812.55MVEVERHSYDVVVIGAGGAGLRAVIEARERGLKVAVVCKSLFGKAHTVMAEGGCAAAMGNANPKDNWKTHFGDTMRGGKFLNNWRMAELHAKEAPDRVWELETYGALFDRTDDGRISQRNFGGHTYPRLAHVGDRTGLELIRTLQQKVVSLQQEDHAELGDYEARIKVFAECTITELLKDQGAIAGAFGYWRESGRFIVFEAPAVVLATGGIGKSFKVTSNSWEYTGDGHALALRAGATLINMEFVQFHPTGMVWPPSVKGILVTEGVRGDGGVLKNSENSRFMFDYIPPVFKGQYAETEEEADQWLKDNDSARRTPDLLPRDEVARAINSEVKAGRGTPHGGVYLDIASRLTPAEIKRRLPSMYHQFKELAEVDITTQAMEVGPTCHYVMGGVEVDADTGAATVPGLFAAGECAGGMHGSNRLGGNSLSDLLVFGRRAGLGAADYVRALSSRPAVSAEAIDAAAQQALSPFEGPKDGSAPENPYALHMDLQYVMNDLVGIIRNADEISRALTLLAELWSRYHNVLVEGHRQYNPGWNLSIDLRNMLLVSECVARAALQRTESRGGHTRDDHPGMDPNWRRILLVCRATETMGTGGSGSGDSNCHINVTQQLQTPMRPDLLELFEISELEKYYTDEELAEHPGRRG
Complex: FAD_A_5(3AEC) / Model_81(3AEC/A) = [9.9] Download588.0313.02MVEVERHSYDVVVIGAGGAGLRAVIEARERGLKVAVVCKSLFGKAHTVMAEGGCAAAMGNANPKDNWKTHFGDTMRGGKFLNNWRMAELHAKEAPDRVWELETYGALFDRTDDGRISQRNFGGHTYPRLAHVGDRTGLELIRTLQQKVVSLQQEDHAELGDYEARIKVFAECTITELLKDQGAIAGAFGYWRESGRFIVFEAPAVVLATGGIGKSFKVTSNSWEYTGDGHALALRAGATLINMEFVQFHPTGMVWPPSVKGILVTEGVRGDGGVLKNSENSRFMFDYIPPVFKGQYAETEEEADQWLKDNDSARRTPDLLPRDEVARAINSEVKAGRGTPHGGVYLDIASRLTPAEIKRRLPSMYHQFKELAEVDITTQAMEVGPTCHYVMGGVEVDADTGAATVPGLFAAGECAGGMHGSNRLGGNSLSDLLVFGRRAGLGAADYVRALSSRPAVSAEAIDAAAQQALSPFEGPKDGSAPENPYALHMDLQYVMNDLVGIIRNADEISRALTLLAELWSRYHNVLVEGHRQYNPGWNLSIDLRNMLLVSECVARAALQRTESRGGHTRDDHPGMDPNWRRILLVCRATETMGTGGSGSGDSNCHINVTQQLQTPMRPDLLELFEISELEKYYTDEELAEHPGRRG
Consensus
[pKd Mean = 7.56]
-482
(s=152)
11
(s=2)
MVEVERHSYDVVVIGAGGAGLRAVIEARERGLKVAVVCKSLFGKAHTVMAEGGCAAAMGNANPKDNWKTHFGDTMRGGKFLNNWRMAELHAKEAPDRVWELETYGALFDRTDDGRISQRNFGGHTYPRLAHVGDRTGLELIRTLQQKVVSLQQEDHAELGDYEARIKVFAECTITELLKDQGAIAGAFGYWRESGRFIVFEAPAVVLATGGIGKSFKVTSNSWEYTGDGHALALRAGATLINMEFVQFHPTGMVWPPSVKGILVTEGVRGDGGVLKNSENSRFMFDYIPPVFKGQYAETEEEADQWLKDNDSARRTPDLLPRDEVARAINSEVKAGRGTPHGGVYLDIASRLTPAEIKRRLPSMYHQFKELAEVDITTQAMEVGPTCHYVMGGVEVDADTGAATVPGLFAAGECAGGMHGSNRLGGNSLSDLLVFGRRAGLGAADYVRALSSRPAVSAEAIDAAAQQALSPFEGPKDGSAPENPYALHMDLQYVMNDLVGIIRNADEISRALTLLAELWSRYHNVLVEGHRQYNPGWNLSIDLRNMLLVSECVARAALQRTESRGGHTRDDHPGMDPNWRRILLVCRATETMGTGGSGSGDSNCHINVTQQLQTPMRPDLLELFEISELEKYYTDEELAEHPGRRG