Study : Lmo2752 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: AGS_A_3(4S0F) / Model_16(4S0F/A) = [3.2] Download818.5119.95MKEFKQISRFFWHYLRGYKPQLFVILIAVVFATYLQVKAPQYIGNAVQELGDYVVNLMQTGVDDKSDFIHIIWMLILCYVLLAAATFIQSIIMTGVAGKSTNRMRIGLFRKMEKLSIRFFDSRNDGEMLSRFTSDLDNISNTLNQALIQVLSNVALMIGVIIMMFQQNVELAFVTLISAPFAIIIATVIIRKARKFVDVQQDELGVLNGYIDEKISGQKIIITNGLEEETIDGFVKQNNIVKNATYKGQVYSGLLFPMMQGISLLNTAIVIFFGGWLALNGDLERTAALGLIVMFVQYSQQFYMPLTQISSQYSLLQLAITGARRVSEVFAEEEEVERENLQTIDGINKGVKLDHVDFAYDPAKPVLKDVSIDVSKGKMVALVGPTGSGKTTVMNLLNRFYNVDGGAILFDDIDIRDIRLDSLRKQVGIVLQDSVLFTGTIRDNIVFGKPEASDDEVINAAKQANIHDFIMNLEKGYETEISDENNIFSVGQKQLMSIARTIITNPSLLILDEATSNVDTVTESRIQKAMDNVISGRTSFVIAHRLKTILDADHIVVLHQGEVIEQGNHDELMKAEGFYSELYHNQFVIE
Complex: ADP_B_6(2HYD) / Model_22(2HYD/B) = [4.6] Download1050.8713.76MKEFKQISRFFWHYLRGYKPQLFVILIAVVFATYLQVKAPQYIGNAVQELGDYVVNLMQTGVDDKSDFIHIIWMLILCYVLLAAATFIQSIIMTGVAGKSTNRMRIGLFRKMEKLSIRFFDSRNDGEMLSRFTSDLDNISNTLNQALIQVLSNVALMIGVIIMMFQQNVELAFVTLISAPFAIIIATVIIRKARKFVDVQQDELGVLNGYIDEKISGQKIIITNGLEEETIDGFVKQNNIVKNATYKGQVYSGLLFPMMQGISLLNTAIVIFFGGWLALNGDLERTAALGLIVMFVQYSQQFYMPLTQISSQYSLLQLAITGARRVSEVFAEEEEVERENLQTIDGINKGVKLDHVDFAYDPAKPVLKDVSIDVSKGKMVALVGPTGSGKTTVMNLLNRFYNVDGGAILFDDIDIRDIRLDSLRKQVGIVLQDSVLFTGTIRDNIVFGKPEASDDEVINAAKQANIHDFIMNLEKGYETEISDENNIFSVGQKQLMSIARTIITNPSLLILDEATSNVDTVTESRIQKAMDNVISGRTSFVIAHRLKTILDADHIVVLHQGEVIEQGNHDELMKAEGFYSELYHNQFVIE
Complex: ADP_A_5(2HYD) / Model_5(2HYD/A) = [4.6] Download1246.5310.17MKEFKQISRFFWHYLRGYKPQLFVILIAVVFATYLQVKAPQYIGNAVQELGDYVVNLMQTGVDDKSDFIHIIWMLILCYVLLAAATFIQSIIMTGVAGKSTNRMRIGLFRKMEKLSIRFFDSRNDGEMLSRFTSDLDNISNTLNQALIQVLSNVALMIGVIIMMFQQNVELAFVTLISAPFAIIIATVIIRKARKFVDVQQDELGVLNGYIDEKISGQKIIITNGLEEETIDGFVKQNNIVKNATYKGQVYSGLLFPMMQGISLLNTAIVIFFGGWLALNGDLERTAALGLIVMFVQYSQQFYMPLTQISSQYSLLQLAITGARRVSEVFAEEEEVERENLQTIDGINKGVKLDHVDFAYDPAKPVLKDVSIDVSKGKMVALVGPTGSGKTTVMNLLNRFYNVDGGAILFDDIDIRDIRLDSLRKQVGIVLQDSVLFTGTIRDNIVFGKPEASDDEVINAAKQANIHDFIMNLEKGYETEISDENNIFSVGQKQLMSIARTIITNPSLLILDEATSNVDTVTESRIQKAMDNVISGRTSFVIAHRLKTILDADHIVVLHQGEVIEQGNHDELMKAEGFYSELYHNQFVIE
Complex: ADP_D_10(1MV5) / Model_38(1MV5/D) = [5.0] Download1015.5117.43MKEFKQISRFFWHYLRGYKPQLFVILIAVVFATYLQVKAPQYIGNAVQELGDYVVNLMQTGVDDKSDFIHIIWMLILCYVLLAAATFIQSIIMTGVAGKSTNRMRIGLFRKMEKLSIRFFDSRNDGEMLSRFTSDLDNISNTLNQALIQVLSNVALMIGVIIMMFQQNVELAFVTLISAPFAIIIATVIIRKARKFVDVQQDELGVLNGYIDEKISGQKIIITNGLEEETIDGFVKQNNIVKNATYKGQVYSGLLFPMMQGISLLNTAIVIFFGGWLALNGDLERTAALGLIVMFVQYSQQFYMPLTQISSQYSLLQLAITGARRVSEVFAEEEEVERENLQTIDGINKGVKLDHVDFAYDPAKPVLKDVSIDVSKGKMVALVGPTGSGKTTVMNLLNRFYNVDGGAILFDDIDIRDIRLDSLRKQVGIVLQDSVLFTGTIRDNIVFGKPEASDDEVINAAKQANIHDFIMNLEKGYETEISDENNIFSVGQKQLMSIARTIITNPSLLILDEATSNVDTVTESRIQKAMDNVISGRTSFVIAHRLKTILDADHIVVLHQGEVIEQGNHDELMKAEGFYSELYHNQFVIE
Complex: ANP_A_2(4AYW) / Model_20(4AYW/A) = [5.1] Download1864.6414.67MKEFKQISRFFWHYLRGYKPQLFVILIAVVFATYLQVKAPQYIGNAVQELGDYVVNLMQTGVDDKSDFIHIIWMLILCYVLLAAATFIQSIIMTGVAGKSTNRMRIGLFRKMEKLSIRFFDSRNDGEMLSRFTSDLDNISNTLNQALIQVLSNVALMIGVIIMMFQQNVELAFVTLISAPFAIIIATVIIRKARKFVDVQQDELGVLNGYIDEKISGQKIIITNGLEEETIDGFVKQNNIVKNATYKGQVYSGLLFPMMQGISLLNTAIVIFFGGWLALNGDLERTAALGLIVMFVQYSQQFYMPLTQISSQYSLLQLAITGARRVSEVFAEEEEVERENLQTIDGINKGVKLDHVDFAYDPAKPVLKDVSIDVSKGKMVALVGPTGSGKTTVMNLLNRFYNVDGGAILFDDIDIRDIRLDSLRKQVGIVLQDSVLFTGTIRDNIVFGKPEASDDEVINAAKQANIHDFIMNLEKGYETEISDENNIFSVGQKQLMSIARTIITNPSLLILDEATSNVDTVTESRIQKAMDNVISGRTSFVIAHRLKTILDADHIVVLHQGEVIEQGNHDELMKAEGFYSELYHNQFVIE
Consensus
[pKd Mean = 4.50]
-1199
(s=359)
15
(s=3)
MKEFKQISRFFWHYLRGYKPQLFVILIAVVFATYLQVKAPQYIGNAVQELGDYVVNLMQTGVDDKSDFIHIIWMLILCYVLLAAATFIQSIIMTGVAGKSTNRMRIGLFRKMEKLSIRFFDSRNDGEMLSRFTSDLDNISNTLNQALIQVLSNVALMIGVIIMMFQQNVELAFVTLISAPFAIIIATVIIRKARKFVDVQQDELGVLNGYIDEKISGQKIIITNGLEEETIDGFVKQNNIVKNATYKGQVYSGLLFPMMQGISLLNTAIVIFFGGWLALNGDLERTAALGLIVMFVQYSQQFYMPLTQISSQYSLLQLAITGARRVSEVFAEEEEVERENLQTIDGINKGVKLDHVDFAYDPAKPVLKDVSIDVSKGKMVALVGPTGSGKTTVMNLLNRFYNVDGGAILFDDIDIRDIRLDSLRKQVGIVLQDSVLFTGTIRDNIVFGKPEASDDEVINAAKQANIHDFIMNLEKGYETEISDENNIFSVGQKQLMSIARTIITNPSLLILDEATSNVDTVTESRIQKAMDNVISGRTSFVIAHRLKTILDADHIVVLHQGEVIEQGNHDELMKAEGFYSELYHNQFVIE