Study : bsu26610 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: AMP_A_3(3LFR) / Model_4(3LFR/A) = [4.4] Download766.9514.06MTTINLIIFTLLIVLTAFFVATEFAIVKIRSSKIDQLILEGKKGAISAKKVITHLDEYLSACQLGITVTALGIGWVGESTFEVILHPLFAHFHVSETVSHVLILVIAFVMATFLHVVVGELAPKTLAIQKAETITLLTAKPIIWFYRILFPFIWFLNGSARFIVGLFGLKPASEHELAHSEEELRILLSESYKSGEINQNELKYVNNIFEFDERIAKEIMIPRREIVAISSEDSYETIVKIIKTESYTRYPVLNGDKDSIIGFINAKEFLSAYIDTDQKIKEDFKLENHINPVIHVIESVPIHDVLVKMQKERTHIAILVDEYGGTSGLVTAEDILEEIVGEIRDEFDKDEVPNIRKVNDNHYILDSKVLIEDVNDLLGTTLASDEVDTIGGWFMTQQIDAAVGSVIEADGYIFKVHETVGRHINYLEIVRKKE
Complex: AMP_A_5(3NQR) / Model_5(3NQR/A) = [5.5] Download530.6413.67MTTINLIIFTLLIVLTAFFVATEFAIVKIRSSKIDQLILEGKKGAISAKKVITHLDEYLSACQLGITVTALGIGWVGESTFEVILHPLFAHFHVSETVSHVLILVIAFVMATFLHVVVGELAPKTLAIQKAETITLLTAKPIIWFYRILFPFIWFLNGSARFIVGLFGLKPASEHELAHSEEELRILLSESYKSGEINQNELKYVNNIFEFDERIAKEIMIPRREIVAISSEDSYETIVKIIKTESYTRYPVLNGDKDSIIGFINAKEFLSAYIDTDQKIKEDFKLENHINPVIHVIESVPIHDVLVKMQKERTHIAILVDEYGGTSGLVTAEDILEEIVGEIRDEFDKDEVPNIRKVNDNHYILDSKVLIEDVNDLLGTTLASDEVDTIGGWFMTQQIDAAVGSVIEADGYIFKVHETVGRHINYLEIVRKKE
Complex: AMP_A_2(3HF7) / Model_9(3HF7/A) = [5.7] Download801.636.78MTTINLIIFTLLIVLTAFFVATEFAIVKIRSSKIDQLILEGKKGAISAKKVITHLDEYLSACQLGITVTALGIGWVGESTFEVILHPLFAHFHVSETVSHVLILVIAFVMATFLHVVVGELAPKTLAIQKAETITLLTAKPIIWFYRILFPFIWFLNGSARFIVGLFGLKPASEHELAHSEEELRILLSESYKSGEINQNELKYVNNIFEFDERIAKEIMIPRREIVAISSEDSYETIVKIIKTESYTRYPVLNGDKDSIIGFINAKEFLSAYIDTDQKIKEDFKLENHINPVIHVIESVPIHDVLVKMQKERTHIAILVDEYGGTSGLVTAEDILEEIVGEIRDEFDKDEVPNIRKVNDNHYILDSKVLIEDVNDLLGTTLASDEVDTIGGWFMTQQIDAAVGSVIEADGYIFKVHETVGRHINYLEIVRKKE
Complex: AMP_A_2(3HF7) / Model_39(3HF7/A) = [5.7] Download878.576.78MTTINLIIFTLLIVLTAFFVATEFAIVKIRSSKIDQLILEGKKGAISAKKVITHLDEYLSACQLGITVTALGIGWVGESTFEVILHPLFAHFHVSETVSHVLILVIAFVMATFLHVVVGELAPKTLAIQKAETITLLTAKPIIWFYRILFPFIWFLNGSARFIVGLFGLKPASEHELAHSEEELRILLSESYKSGEINQNELKYVNNIFEFDERIAKEIMIPRREIVAISSEDSYETIVKIIKTESYTRYPVLNGDKDSIIGFINAKEFLSAYIDTDQKIKEDFKLENHINPVIHVIESVPIHDVLVKMQKERTHIAILVDEYGGTSGLVTAEDILEEIVGEIRDEFDKDEVPNIRKVNDNHYILDSKVLIEDVNDLLGTTLASDEVDTIGGWFMTQQIDAAVGSVIEADGYIFKVHETVGRHINYLEIVRKKE
Consensus
[pKd Mean = 5.33]		-744
(s=129)		10
(s=3)		MTTINLIIFTLLIVLTAFFVATEFAIVKIRSSKIDQLILEGKKGAISAKKVITHLDEYLSACQLGITVTALGIGWVGESTFEVILHPLFAHFHVSETVSHVLILVIAFVMATFLHVVVGELAPKTLAIQKAETITLLTAKPIIWFYRILFPFIWFLNGSARFIVGLFGLKPASEHELAHSEEELRILLSESYKSGEINQNELKYVNNIFEFDERIAKEIMIPRREIVAISSEDSYETIVKIIKTESYTRYPVLNGDKDSIIGFINAKEFLSAYIDTDQKIKEDFKLENHINPVIHVIESVPIHDVLVKMQKERTHIAILVDEYGGTSGLVTAEDILEEIVGEIRDEFDKDEVPNIRKVNDNHYILDSKVLIEDVNDLLGTTLASDEVDTIGGWFMTQQIDAAVGSVIEADGYIFKVHETVGRHINYLEIVRKKE