Study : bsu36520 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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: AKG_E_20(2XUL) / Model_47(2XUL/E) = [3.1] Download279.4514.55MSGQMFKVEIVTRPANFEKLKQELGKIGVTSLTFSNVHGCGLQKAHTELYRGVKIESNVYERLKIEIVVSKVPVDQVTETAKRVLKTGSPGDGKIFVYEISNTINIRTGEEGPEAL
Complex: GOL_A_7(1UL3) / Model_78(1UL3/A) = [3.2] Download706.790.50MSGQMFKVEIVTRPANFEKLKQELGKIGVTSLTFSNVHGCGLQKAHTELYRGVKIESNVYERLKIEIVVSKVPVDQVTETAKRVLKTGSPGDGKIFVYEISNTINIRTGEEGPEAL
Complex: ADP_E_10(4C3K) / Model_35(4C3K/E) = [3.3] Download1244.8517.29MSGQMFKVEIVTRPANFEKLKQELGKIGVTSLTFSNVHGCGLQKAHTELYRGVKIESNVYERLKIEIVVSKVPVDQVTETAKRVLKTGSPGDGKIFVYEISNTINIRTGEEGPEAL
Complex: ATP_B_5(4RX6) / Model_21(4RX6/D) = [3.7] Download1626.059.67MSGQMFKVEIVTRPANFEKLKQELGKIGVTSLTFSNVHGCGLQKAHTELYRGVKIESNVYERLKIEIVVSKVPVDQVTETAKRVLKTGSPGDGKIFVYEISNTINIRTGEEGPEAL
Complex: ADP_D_9(4C3K) / Model_36(4C3K/D) = [4.5] Download1117.5716.33MSGQMFKVEIVTRPANFEKLKQELGKIGVTSLTFSNVHGCGLQKAHTELYRGVKIESNVYERLKIEIVVSKVPVDQVTETAKRVLKTGSPGDGKIFVYEISNTINIRTGEEGPEAL
Consensus
[pKd Mean = 3.56]
-994
(s=462)
11
(s=6)
MSGQMFKVEIVTRPANFEKLKQELGKIGVTSLTFSNVHGCGLQKAHTELYRGVKIESNVYERLKIEIVVSKVPVDQVTETAKRVLKTGSPGDGKIFVYEISNTINIRTGEEGPEAL