Study : Rv0820 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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: ACP_A_4(4AYX) / Model_45(4AYX/A) = [4.3] Download687.242.13MAKRLDLTDVNIYYGSFHAVADVSLAILPRSVTAFIGPSGCGKTTVLRTLNRMHEVIPGARVEGAVLLDDQDIYAPGIDPVGVRRAIGMVFQRPNPFPAMSIRNNVVAGLKLQGVRNRKVLDDTAESSLRGANLWDEVKDRLDKPGGGLSGGQQQRLCIARAIAVQPDVLLMDEPCSSLDPISTMAIEDLISELKQQYTIVIVTHNMQQAARVSDQTAFFNLEAVGKPGRLVEIASTEKIFSNPNQKATEDYISGRFG
Complex: ANP_A_2(4AYW) / Model_44(4AYW/A) = [4.3] Download922.33-1.79MAKRLDLTDVNIYYGSFHAVADVSLAILPRSVTAFIGPSGCGKTTVLRTLNRMHEVIPGARVEGAVLLDDQDIYAPGIDPVGVRRAIGMVFQRPNPFPAMSIRNNVVAGLKLQGVRNRKVLDDTAESSLRGANLWDEVKDRLDKPGGGLSGGQQQRLCIARAIAVQPDVLLMDEPCSSLDPISTMAIEDLISELKQQYTIVIVTHNMQQAARVSDQTAFFNLEAVGKPGRLVEIASTEKIFSNPNQKATEDYISGRFG
Complex: ATP_C_3(1VCI) / Model_15(1VCI/A) = [4.4] Download595.226.53MAKRLDLTDVNIYYGSFHAVADVSLAILPRSVTAFIGPSGCGKTTVLRTLNRMHEVIPGARVEGAVLLDDQDIYAPGIDPVGVRRAIGMVFQRPNPFPAMSIRNNVVAGLKLQGVRNRKVLDDTAESSLRGANLWDEVKDRLDKPGGGLSGGQQQRLCIARAIAVQPDVLLMDEPCSSLDPISTMAIEDLISELKQQYTIVIVTHNMQQAARVSDQTAFFNLEAVGKPGRLVEIASTEKIFSNPNQKATEDYISGRFG
Complex: ADP_A_3(3TIF) / Model_73(3TIF/A) = [4.4] Download861.160.69MAKRLDLTDVNIYYGSFHAVADVSLAILPRSVTAFIGPSGCGKTTVLRTLNRMHEVIPGARVEGAVLLDDQDIYAPGIDPVGVRRAIGMVFQRPNPFPAMSIRNNVVAGLKLQGVRNRKVLDDTAESSLRGANLWDEVKDRLDKPGGGLSGGQQQRLCIARAIAVQPDVLLMDEPCSSLDPISTMAIEDLISELKQQYTIVIVTHNMQQAARVSDQTAFFNLEAVGKPGRLVEIASTEKIFSNPNQKATEDYISGRFG
Complex: ADP_B_8(3TIF) / Model_72(3TIF/B) = [4.7] Download879.400.69MAKRLDLTDVNIYYGSFHAVADVSLAILPRSVTAFIGPSGCGKTTVLRTLNRMHEVIPGARVEGAVLLDDQDIYAPGIDPVGVRRAIGMVFQRPNPFPAMSIRNNVVAGLKLQGVRNRKVLDDTAESSLRGANLWDEVKDRLDKPGGGLSGGQQQRLCIARAIAVQPDVLLMDEPCSSLDPISTMAIEDLISELKQQYTIVIVTHNMQQAARVSDQTAFFNLEAVGKPGRLVEIASTEKIFSNPNQKATEDYISGRFG
Consensus
[pKd Mean = 4.42]
-789
(s=125)
1
(s=2)
MAKRLDLTDVNIYYGSFHAVADVSLAILPRSVTAFIGPSGCGKTTVLRTLNRMHEVIPGARVEGAVLLDDQDIYAPGIDPVGVRRAIGMVFQRPNPFPAMSIRNNVVAGLKLQGVRNRKVLDDTAESSLRGANLWDEVKDRLDKPGGGLSGGQQQRLCIARAIAVQPDVLLMDEPCSSLDPISTMAIEDLISELKQQYTIVIVTHNMQQAARVSDQTAFFNLEAVGKPGRLVEIASTEKIFSNPNQKATEDYISGRFG