Study : bsu18360 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: MAL_A_4(4BZH) / Model_4(4BZH/A) = [3.2] Download1065.1016.08MANFIEKITYLGTPAIKAGNEHLEMIVVPEWGSNVISLVDKTTNVQLLREPETAESFHDTPTLYGIPILFPPNRISDGTFSFRGRTYHFDINEKDKHNHLHGFLYHEKWNVVTTKQTDEGVIVETEIDLSELPHVQKQFPHHAVVRMTYTIKENTLFKHATVMNKGKEAFPWGIGYHTTFIFPAESSLFSLTADQQWELDERLLPTGKLMDVPYKEALHEGMDLRHKQLDDVFLSSYQKRGGENQAVIYHQHAHISIIYKADEQFKHWVVYNADGKQGYLCPEPYTWVTNAVNLDLPSSLTGLQVLEPGEETTAKSSITIELNHQ
Complex: MAL_A_3(4BZG) / Model_3(4BZG/A) = [3.9] Download1152.1518.48MANFIEKITYLGTPAIKAGNEHLEMIVVPEWGSNVISLVDKTTNVQLLREPETAESFHDTPTLYGIPILFPPNRISDGTFSFRGRTYHFDINEKDKHNHLHGFLYHEKWNVVTTKQTDEGVIVETEIDLSELPHVQKQFPHHAVVRMTYTIKENTLFKHATVMNKGKEAFPWGIGYHTTFIFPAESSLFSLTADQQWELDERLLPTGKLMDVPYKEALHEGMDLRHKQLDDVFLSSYQKRGGENQAVIYHQHAHISIIYKADEQFKHWVVYNADGKQGYLCPEPYTWVTNAVNLDLPSSLTGLQVLEPGEETTAKSSITIELNHQ
Complex: MAL_B_4(4BZG) / Model_20(4BZG/B) = [3.9] Download1293.0318.92MANFIEKITYLGTPAIKAGNEHLEMIVVPEWGSNVISLVDKTTNVQLLREPETAESFHDTPTLYGIPILFPPNRISDGTFSFRGRTYHFDINEKDKHNHLHGFLYHEKWNVVTTKQTDEGVIVETEIDLSELPHVQKQFPHHAVVRMTYTIKENTLFKHATVMNKGKEAFPWGIGYHTTFIFPAESSLFSLTADQQWELDERLLPTGKLMDVPYKEALHEGMDLRHKQLDDVFLSSYQKRGGENQAVIYHQHAHISIIYKADEQFKHWVVYNADGKQGYLCPEPYTWVTNAVNLDLPSSLTGLQVLEPGEETTAKSSITIELNHQ
Complex: MAL_B_8(4BZH) / Model_19(4BZH/B) = [4.3] Download910.3826.25MANFIEKITYLGTPAIKAGNEHLEMIVVPEWGSNVISLVDKTTNVQLLREPETAESFHDTPTLYGIPILFPPNRISDGTFSFRGRTYHFDINEKDKHNHLHGFLYHEKWNVVTTKQTDEGVIVETEIDLSELPHVQKQFPHHAVVRMTYTIKENTLFKHATVMNKGKEAFPWGIGYHTTFIFPAESSLFSLTADQQWELDERLLPTGKLMDVPYKEALHEGMDLRHKQLDDVFLSSYQKRGGENQAVIYHQHAHISIIYKADEQFKHWVVYNADGKQGYLCPEPYTWVTNAVNLDLPSSLTGLQVLEPGEETTAKSSITIELNHQ
Consensus
[pKd Mean = 3.83]
-1105
(s=138)
19
(s=3)
MANFIEKITYLGTPAIKAGNEHLEMIVVPEWGSNVISLVDKTTNVQLLREPETAESFHDTPTLYGIPILFPPNRISDGTFSFRGRTYHFDINEKDKHNHLHGFLYHEKWNVVTTKQTDEGVIVETEIDLSELPHVQKQFPHHAVVRMTYTIKENTLFKHATVMNKGKEAFPWGIGYHTTFIFPAESSLFSLTADQQWELDERLLPTGKLMDVPYKEALHEGMDLRHKQLDDVFLSSYQKRGGENQAVIYHQHAHISIIYKADEQFKHWVVYNADGKQGYLCPEPYTWVTNAVNLDLPSSLTGLQVLEPGEETTAKSSITIELNHQ