Study : gbs1210 (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: COA_E_9(4ZRB) / Model_24(4ZRB/E) = [3.1] Download577.866.00MKFNLEQVKVFENYEIENWEEGQVTLTTKVVDSSLNYYGNAHGGYLFTLCDQVSGLVAISTGYEAVTLQSNINYLRAGRLDDLLTVIGTCVHNGRTTKVVDVHIKNQKGEMVTTAIFTMFVTGERKEK
Complex: COA_F_12(4ZRB) / Model_27(4ZRB/B) = [3.2] Download1096.7144.17MKFNLEQVKVFENYEIENWEEGQVTLTTKVVDSSLNYYGNAHGGYLFTLCDQVSGLVAISTGYEAVTLQSNINYLRAGRLDDLLTVIGTCVHNGRTTKVVDVHIKNQKGEMVTTAIFTMFVTGERKEK
Complex: COA_B_7(3LBE) / Model_29(3LBE/C) = [3.2] Download1094.2849.10MKFNLEQVKVFENYEIENWEEGQVTLTTKVVDSSLNYYGNAHGGYLFTLCDQVSGLVAISTGYEAVTLQSNINYLRAGRLDDLLTVIGTCVHNGRTTKVVDVHIKNQKGEMVTTAIFTMFVTGERKEK
Complex: COA_E_9(4ZRB) / Model_25(4ZRB/D) = [3.2] Download1034.8944.17MKFNLEQVKVFENYEIENWEEGQVTLTTKVVDSSLNYYGNAHGGYLFTLCDQVSGLVAISTGYEAVTLQSNINYLRAGRLDDLLTVIGTCVHNGRTTKVVDVHIKNQKGEMVTTAIFTMFVTGERKEK
Complex: COA_H_11(4ZRB) / Model_21(4ZRB/H) = [3.7] Download383.05-14.00MKFNLEQVKVFENYEIENWEEGQVTLTTKVVDSSLNYYGNAHGGYLFTLCDQVSGLVAISTGYEAVTLQSNINYLRAGRLDDLLTVIGTCVHNGRTTKVVDVHIKNQKGEMVTTAIFTMFVTGERKEK
Consensus
[pKd Mean = 3.28]
-837
(s=298)
25
(s=25)
MKFNLEQVKVFENYEIENWEEGQVTLTTKVVDSSLNYYGNAHGGYLFTLCDQVSGLVAISTGYEAVTLQSNINYLRAGRLDDLLTVIGTCVHNGRTTKVVDVHIKNQKGEMVTTAIFTMFVTGERKEK