Study : SA0514 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: DCM_B_8(2JAT) / Model_21(2JAT/B) = [5.3] Download710.6219.62MNNYGIPQNAIITIAGTVGVGKSTLTQALADKLNFKTSFENVEHNPYLDKFYSDFERWSFHLQIYFLAERFKEQKRMFEYGGGFVQDRSIYEDVDIFAKMHEEEGTMSKEDFKTYSDLFNAMVMTPYFPKPDVMIYLECNYDEVIDRIIERGREMEINTDPEYWKKLFKRYDDWINSFNACPVVRININEYDIHKDPESLNPMIDKIARIIQTYRQVDTR
Complex: DCM_A_5(2JAT) / Model_2(2JAT/A) = [5.4] Download730.7019.62MNNYGIPQNAIITIAGTVGVGKSTLTQALADKLNFKTSFENVEHNPYLDKFYSDFERWSFHLQIYFLAERFKEQKRMFEYGGGFVQDRSIYEDVDIFAKMHEEEGTMSKEDFKTYSDLFNAMVMTPYFPKPDVMIYLECNYDEVIDRIIERGREMEINTDPEYWKKLFKRYDDWINSFNACPVVRININEYDIHKDPESLNPMIDKIARIIQTYRQVDTR
Complex: DTP_D_13(2JAS) / Model_24(2JAS/D) = [6.8] Download755.2416.31MNNYGIPQNAIITIAGTVGVGKSTLTQALADKLNFKTSFENVEHNPYLDKFYSDFERWSFHLQIYFLAERFKEQKRMFEYGGGFVQDRSIYEDVDIFAKMHEEEGTMSKEDFKTYSDLFNAMVMTPYFPKPDVMIYLECNYDEVIDRIIERGREMEINTDPEYWKKLFKRYDDWINSFNACPVVRININEYDIHKDPESLNPMIDKIARIIQTYRQVDTR
Complex: DTP_A_7(2JAS) / Model_3(2JAS/A) = [7.0] Download912.1419.33MNNYGIPQNAIITIAGTVGVGKSTLTQALADKLNFKTSFENVEHNPYLDKFYSDFERWSFHLQIYFLAERFKEQKRMFEYGGGFVQDRSIYEDVDIFAKMHEEEGTMSKEDFKTYSDLFNAMVMTPYFPKPDVMIYLECNYDEVIDRIIERGREMEINTDPEYWKKLFKRYDDWINSFNACPVVRININEYDIHKDPESLNPMIDKIARIIQTYRQVDTR
Complex: DTP_F_17(2JAS) / Model_22(2JAS/F) = [7.2] Download893.2821.30MNNYGIPQNAIITIAGTVGVGKSTLTQALADKLNFKTSFENVEHNPYLDKFYSDFERWSFHLQIYFLAERFKEQKRMFEYGGGFVQDRSIYEDVDIFAKMHEEEGTMSKEDFKTYSDLFNAMVMTPYFPKPDVMIYLECNYDEVIDRIIERGREMEINTDPEYWKKLFKRYDDWINSFNACPVVRININEYDIHKDPESLNPMIDKIARIIQTYRQVDTR
Consensus
[pKd Mean = 6.34]
-800
(s=84)
19
(s=1)
MNNYGIPQNAIITIAGTVGVGKSTLTQALADKLNFKTSFENVEHNPYLDKFYSDFERWSFHLQIYFLAERFKEQKRMFEYGGGFVQDRSIYEDVDIFAKMHEEEGTMSKEDFKTYSDLFNAMVMTPYFPKPDVMIYLECNYDEVIDRIIERGREMEINTDPEYWKKLFKRYDDWINSFNACPVVRININEYDIHKDPESLNPMIDKIARIIQTYRQVDTR