Study : PA3891 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: ANP_K_6(3C41) / Model_77(3C41/K) = [5.8] Download1554.039.10MIELDKLSKTFTQKNGKEFRAVDSVSLTVEKGEICVFLGPSGCGKTTTLKMINRIIPPTSGRVLIDGQDTADLDEVTLRRHIGYVIQQIGLFPNMTIEENIMVVPRLLGWDKARCKEKARELMSMVKLEPKQYLQRYPRELSGGQQQRVGVIRALAADAPLLLMDEPFGAVDPINRESIQNEFFEMQRKLGMTVIMVSHDIDEAIKLGDKVAVFKSGRLLQYDHPDTLLAHPADEFVSAFTGQDSTLKRLLLVRAEDAADSSLVTARPQTPVAEALELMDENDRRYLIVVDDQGKGLGYVRRKDLRRQEGTCAPFVTPFRVTASHDEHLRILLSRMYEFNSSWLPVLDPDQQFLGEVTQESIADYLSSGRSRGGKGLIVSPAEQVGA
Complex: AT4_D_8(2OLK) / Model_71(2OLK/D) = [5.9] Download1416.3712.22MIELDKLSKTFTQKNGKEFRAVDSVSLTVEKGEICVFLGPSGCGKTTTLKMINRIIPPTSGRVLIDGQDTADLDEVTLRRHIGYVIQQIGLFPNMTIEENIMVVPRLLGWDKARCKEKARELMSMVKLEPKQYLQRYPRELSGGQQQRVGVIRALAADAPLLLMDEPFGAVDPINRESIQNEFFEMQRKLGMTVIMVSHDIDEAIKLGDKVAVFKSGRLLQYDHPDTLLAHPADEFVSAFTGQDSTLKRLLLVRAEDAADSSLVTARPQTPVAEALELMDENDRRYLIVVDDQGKGLGYVRRKDLRRQEGTCAPFVTPFRVTASHDEHLRILLSRMYEFNSSWLPVLDPDQQFLGEVTQESIADYLSSGRSRGGKGLIVSPAEQVGA
Complex: AT4_B_6(2OLK) / Model_73(2OLK/B) = [6.0] Download887.8517.50MIELDKLSKTFTQKNGKEFRAVDSVSLTVEKGEICVFLGPSGCGKTTTLKMINRIIPPTSGRVLIDGQDTADLDEVTLRRHIGYVIQQIGLFPNMTIEENIMVVPRLLGWDKARCKEKARELMSMVKLEPKQYLQRYPRELSGGQQQRVGVIRALAADAPLLLMDEPFGAVDPINRESIQNEFFEMQRKLGMTVIMVSHDIDEAIKLGDKVAVFKSGRLLQYDHPDTLLAHPADEFVSAFTGQDSTLKRLLLVRAEDAADSSLVTARPQTPVAEALELMDENDRRYLIVVDDQGKGLGYVRRKDLRRQEGTCAPFVTPFRVTASHDEHLRILLSRMYEFNSSWLPVLDPDQQFLGEVTQESIADYLSSGRSRGGKGLIVSPAEQVGA
Complex: ADP_A_3(3TIF) / Model_88(3TIF/A) = [6.1] Download1225.173.16MIELDKLSKTFTQKNGKEFRAVDSVSLTVEKGEICVFLGPSGCGKTTTLKMINRIIPPTSGRVLIDGQDTADLDEVTLRRHIGYVIQQIGLFPNMTIEENIMVVPRLLGWDKARCKEKARELMSMVKLEPKQYLQRYPRELSGGQQQRVGVIRALAADAPLLLMDEPFGAVDPINRESIQNEFFEMQRKLGMTVIMVSHDIDEAIKLGDKVAVFKSGRLLQYDHPDTLLAHPADEFVSAFTGQDSTLKRLLLVRAEDAADSSLVTARPQTPVAEALELMDENDRRYLIVVDDQGKGLGYVRRKDLRRQEGTCAPFVTPFRVTASHDEHLRILLSRMYEFNSSWLPVLDPDQQFLGEVTQESIADYLSSGRSRGGKGLIVSPAEQVGA
Complex: ADP_A_3(4P32) / Model_91(4P32/A) = [6.2] Download793.265.64MIELDKLSKTFTQKNGKEFRAVDSVSLTVEKGEICVFLGPSGCGKTTTLKMINRIIPPTSGRVLIDGQDTADLDEVTLRRHIGYVIQQIGLFPNMTIEENIMVVPRLLGWDKARCKEKARELMSMVKLEPKQYLQRYPRELSGGQQQRVGVIRALAADAPLLLMDEPFGAVDPINRESIQNEFFEMQRKLGMTVIMVSHDIDEAIKLGDKVAVFKSGRLLQYDHPDTLLAHPADEFVSAFTGQDSTLKRLLLVRAEDAADSSLVTARPQTPVAEALELMDENDRRYLIVVDDQGKGLGYVRRKDLRRQEGTCAPFVTPFRVTASHDEHLRILLSRMYEFNSSWLPVLDPDQQFLGEVTQESIADYLSSGRSRGGKGLIVSPAEQVGA
Consensus
[pKd Mean = 6.00]
-1175
(s=294)
9
(s=5)
MIELDKLSKTFTQKNGKEFRAVDSVSLTVEKGEICVFLGPSGCGKTTTLKMINRIIPPTSGRVLIDGQDTADLDEVTLRRHIGYVIQQIGLFPNMTIEENIMVVPRLLGWDKARCKEKARELMSMVKLEPKQYLQRYPRELSGGQQQRVGVIRALAADAPLLLMDEPFGAVDPINRESIQNEFFEMQRKLGMTVIMVSHDIDEAIKLGDKVAVFKSGRLLQYDHPDTLLAHPADEFVSAFTGQDSTLKRLLLVRAEDAADSSLVTARPQTPVAEALELMDENDRRYLIVVDDQGKGLGYVRRKDLRRQEGTCAPFVTPFRVTASHDEHLRILLSRMYEFNSSWLPVLDPDQQFLGEVTQESIADYLSSGRSRGGKGLIVSPAEQVGA