Study : bsu29580 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: ATP_B_7(4KR7) / Model_5(4KR7/B) = [5.4] Download1256.8729.81MNYDHILIRFGEISTKGKNRKSFIERLKQNIRLVLKDYPNLKYFSNRDRMTITLNGEDPEALFPHLKQVFGIQSFSLAIKCDSRLDDIKATALKAIKDQYKPGDTFKVATKRAYKQFELDTNQMNAEIGGHILRNTEGLTVDVRNPDIPLRIEIREEATFLTIRDEKGAGGLPVGSAGKAMLMLSGGFDSPVAGFYAMKRGLSVEAVHFFSPPYTSERAKQKVMDLAKCLSRFGGSMTLHIVPFTKTQELIQKQIPENYTMTATRRLMLQIADRIREKRNGLAIITGESLGQVASQTLESMYAINAVTSTPILRPLIAMDKTEIIEKSREIGTYETSIQPFEDCCTIFTPPSPKTRPKKEKIEHFESFVDFEPYIQEAVDNIETMTLYSEQEANDKFAELF
Complex: AMP_A_2(2C5S) / Model_30(2C5S/A) = [5.5] Download990.2426.43MNYDHILIRFGEISTKGKNRKSFIERLKQNIRLVLKDYPNLKYFSNRDRMTITLNGEDPEALFPHLKQVFGIQSFSLAIKCDSRLDDIKATALKAIKDQYKPGDTFKVATKRAYKQFELDTNQMNAEIGGHILRNTEGLTVDVRNPDIPLRIEIREEATFLTIRDEKGAGGLPVGSAGKAMLMLSGGFDSPVAGFYAMKRGLSVEAVHFFSPPYTSERAKQKVMDLAKCLSRFGGSMTLHIVPFTKTQELIQKQIPENYTMTATRRLMLQIADRIREKRNGLAIITGESLGQVASQTLESMYAINAVTSTPILRPLIAMDKTEIIEKSREIGTYETSIQPFEDCCTIFTPPSPKTRPKKEKIEHFESFVDFEPYIQEAVDNIETMTLYSEQEANDKFAELF
Complex: ATP_A_5(4KR7) / Model_2(4KR7/A) = [6.1] Download997.0036.27MNYDHILIRFGEISTKGKNRKSFIERLKQNIRLVLKDYPNLKYFSNRDRMTITLNGEDPEALFPHLKQVFGIQSFSLAIKCDSRLDDIKATALKAIKDQYKPGDTFKVATKRAYKQFELDTNQMNAEIGGHILRNTEGLTVDVRNPDIPLRIEIREEATFLTIRDEKGAGGLPVGSAGKAMLMLSGGFDSPVAGFYAMKRGLSVEAVHFFSPPYTSERAKQKVMDLAKCLSRFGGSMTLHIVPFTKTQELIQKQIPENYTMTATRRLMLQIADRIREKRNGLAIITGESLGQVASQTLESMYAINAVTSTPILRPLIAMDKTEIIEKSREIGTYETSIQPFEDCCTIFTPPSPKTRPKKEKIEHFESFVDFEPYIQEAVDNIETMTLYSEQEANDKFAELF
Consensus
[pKd Mean = 5.67]
-1081
(s=124)
30
(s=4)
MNYDHILIRFGEISTKGKNRKSFIERLKQNIRLVLKDYPNLKYFSNRDRMTITLNGEDPEALFPHLKQVFGIQSFSLAIKCDSRLDDIKATALKAIKDQYKPGDTFKVATKRAYKQFELDTNQMNAEIGGHILRNTEGLTVDVRNPDIPLRIEIREEATFLTIRDEKGAGGLPVGSAGKAMLMLSGGFDSPVAGFYAMKRGLSVEAVHFFSPPYTSERAKQKVMDLAKCLSRFGGSMTLHIVPFTKTQELIQKQIPENYTMTATRRLMLQIADRIREKRNGLAIITGESLGQVASQTLESMYAINAVTSTPILRPLIAMDKTEIIEKSREIGTYETSIQPFEDCCTIFTPPSPKTRPKKEKIEHFESFVDFEPYIQEAVDNIETMTLYSEQEANDKFAELF