Study : bsu11650 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C4_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 C4_S1
Complex: HMH_C_7(2GM8) / Model_26(2GM8/C) = [3.1] Download217.4738.36MKFSEECRSAAAEWWEGSFVHPFVQGIGDGTLPIDRFKYYVLQDSYYLTHFAKVQSFGAAYAKDLYTTGRMASHAQGTYEAEMALHREFAELLEISEEERKAFKPSPTAYSYTSHMYRSVLSGNFAEILAALLPCYWLYYEVGEKLLHCDPGHPIYQKWIGTYGGDWFRQQVEEQINRFDELAENSTEEVRAKMKENFVISSYYEYQFWGMAYRKEGWSDSAIKEVEECGASRHNG
Complex: HMH_A_3(1TO9) / Model_5(1TO9/A) = [3.2] Download324.3947.11MKFSEECRSAAAEWWEGSFVHPFVQGIGDGTLPIDRFKYYVLQDSYYLTHFAKVQSFGAAYAKDLYTTGRMASHAQGTYEAEMALHREFAELLEISEEERKAFKPSPTAYSYTSHMYRSVLSGNFAEILAALLPCYWLYYEVGEKLLHCDPGHPIYQKWIGTYGGDWFRQQVEEQINRFDELAENSTEEVRAKMKENFVISSYYEYQFWGMAYRKEGWSDSAIKEVEECGASRHNG
Complex: HMH_M_13(1YAK) / Model_23(1YAK/B) = [3.3] Download436.8849.17MKFSEECRSAAAEWWEGSFVHPFVQGIGDGTLPIDRFKYYVLQDSYYLTHFAKVQSFGAAYAKDLYTTGRMASHAQGTYEAEMALHREFAELLEISEEERKAFKPSPTAYSYTSHMYRSVLSGNFAEILAALLPCYWLYYEVGEKLLHCDPGHPIYQKWIGTYGGDWFRQQVEEQINRFDELAENSTEEVRAKMKENFVISSYYEYQFWGMAYRKEGWSDSAIKEVEECGASRHNG
Complex: HMH_O_15(1YAK) / Model_22(1YAK/C) = [3.4] Download281.9745.12MKFSEECRSAAAEWWEGSFVHPFVQGIGDGTLPIDRFKYYVLQDSYYLTHFAKVQSFGAAYAKDLYTTGRMASHAQGTYEAEMALHREFAELLEISEEERKAFKPSPTAYSYTSHMYRSVLSGNFAEILAALLPCYWLYYEVGEKLLHCDPGHPIYQKWIGTYGGDWFRQQVEEQINRFDELAENSTEEVRAKMKENFVISSYYEYQFWGMAYRKEGWSDSAIKEVEECGASRHNG
Complex: HMH_I_9(1YAK) / Model_2(1YAK/A) = [3.4] Download319.5043.07MKFSEECRSAAAEWWEGSFVHPFVQGIGDGTLPIDRFKYYVLQDSYYLTHFAKVQSFGAAYAKDLYTTGRMASHAQGTYEAEMALHREFAELLEISEEERKAFKPSPTAYSYTSHMYRSVLSGNFAEILAALLPCYWLYYEVGEKLLHCDPGHPIYQKWIGTYGGDWFRQQVEEQINRFDELAENSTEEVRAKMKENFVISSYYEYQFWGMAYRKEGWSDSAIKEVEECGASRHNG
Consensus
[pKd Mean = 3.28]
-316
(s=71)
44
(s=3)
MKFSEECRSAAAEWWEGSFVHPFVQGIGDGTLPIDRFKYYVLQDSYYLTHFAKVQSFGAAYAKDLYTTGRMASHAQGTYEAEMALHREFAELLEISEEERKAFKPSPTAYSYTSHMYRSVLSGNFAEILAALLPCYWLYYEVGEKLLHCDPGHPIYQKWIGTYGGDWFRQQVEEQINRFDELAENSTEEVRAKMKENFVISSYYEYQFWGMAYRKEGWSDSAIKEVEECGASRHNG