Study : Wbm0303 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C2_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 C2_S1
Complex: SF4_B_2(4U0O) / Model_1(4U0O/B) = [3.3] Download345.2924.00MHSKPPWLRAKAPTGEIFNETLNTVKLHGLHTVCEEAACPNIGECWNKRHATVMILGSVCTRACAFCNVATGIPNKLDPHEPENLAKAIKKLNLKYVVITSVDRDDLPDGGASQFIKCIEEIRKITPETTVEILTPDFLNKKGAFEAIAVASPDVYNHNIEMVPRLYARIRPRARYFHSLYLLKMVKQINPKLLTKSGLMVGLGETKEEVLQVMDDLRSAEVDFITIGQYLQPTPKHAKIDRYVTPEEFEHYKYIAYSKGFLVVASSPLTRSSYHAEEDFNRLKACR
Complex: SAH_B_4(4U0P) / Model_2(4U0P/B) = [3.4] Download608.1017.46MHSKPPWLRAKAPTGEIFNETLNTVKLHGLHTVCEEAACPNIGECWNKRHATVMILGSVCTRACAFCNVATGIPNKLDPHEPENLAKAIKKLNLKYVVITSVDRDDLPDGGASQFIKCIEEIRKITPETTVEILTPDFLNKKGAFEAIAVASPDVYNHNIEMVPRLYARIRPRARYFHSLYLLKMVKQINPKLLTKSGLMVGLGETKEEVLQVMDDLRSAEVDFITIGQYLQPTPKHAKIDRYVTPEEFEHYKYIAYSKGFLVVASSPLTRSSYHAEEDFNRLKACR
Complex: SF4_B_3(4U0O) / Model_1(4U0O/B) = [3.6] Download170.5615.93MHSKPPWLRAKAPTGEIFNETLNTVKLHGLHTVCEEAACPNIGECWNKRHATVMILGSVCTRACAFCNVATGIPNKLDPHEPENLAKAIKKLNLKYVVITSVDRDDLPDGGASQFIKCIEEIRKITPETTVEILTPDFLNKKGAFEAIAVASPDVYNHNIEMVPRLYARIRPRARYFHSLYLLKMVKQINPKLLTKSGLMVGLGETKEEVLQVMDDLRSAEVDFITIGQYLQPTPKHAKIDRYVTPEEFEHYKYIAYSKGFLVVASSPLTRSSYHAEEDFNRLKACR
Complex: SF4_B_3(4U0O) / Model_45(4U0O/B) = [3.6] Download170.5615.93MHSKPPWLRAKAPTGEIFNETLNTVKLHGLHTVCEEAACPNIGECWNKRHATVMILGSVCTRACAFCNVATGIPNKLDPHEPENLAKAIKKLNLKYVVITSVDRDDLPDGGASQFIKCIEEIRKITPETTVEILTPDFLNKKGAFEAIAVASPDVYNHNIEMVPRLYARIRPRARYFHSLYLLKMVKQINPKLLTKSGLMVGLGETKEEVLQVMDDLRSAEVDFITIGQYLQPTPKHAKIDRYVTPEEFEHYKYIAYSKGFLVVASSPLTRSSYHAEEDFNRLKACR
Complex: MTA_B_5(4U0O) / Model_1(4U0O/B) = [5.9] Download963.4731.84MHSKPPWLRAKAPTGEIFNETLNTVKLHGLHTVCEEAACPNIGECWNKRHATVMILGSVCTRACAFCNVATGIPNKLDPHEPENLAKAIKKLNLKYVVITSVDRDDLPDGGASQFIKCIEEIRKITPETTVEILTPDFLNKKGAFEAIAVASPDVYNHNIEMVPRLYARIRPRARYFHSLYLLKMVKQINPKLLTKSGLMVGLGETKEEVLQVMDDLRSAEVDFITIGQYLQPTPKHAKIDRYVTPEEFEHYKYIAYSKGFLVVASSPLTRSSYHAEEDFNRLKACR
Consensus
[pKd Mean = 3.96]
-451
(s=301)
21
(s=6)
MHSKPPWLRAKAPTGEIFNETLNTVKLHGLHTVCEEAACPNIGECWNKRHATVMILGSVCTRACAFCNVATGIPNKLDPHEPENLAKAIKKLNLKYVVITSVDRDDLPDGGASQFIKCIEEIRKITPETTVEILTPDFLNKKGAFEAIAVASPDVYNHNIEMVPRLYARIRPRARYFHSLYLLKMVKQINPKLLTKSGLMVGLGETKEEVLQVMDDLRSAEVDFITIGQYLQPTPKHAKIDRYVTPEEFEHYKYIAYSKGFLVVASSPLTRSSYHAEEDFNRLKACR