Study : jhp_0097 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: H1D_A_5(2FQT) / Model_3(2FQT/A) = [3.6] Download950.7313.06MKMNVESFNLDHTKVKAPYVRIADRKKGVNGDLIVKYDVRFKQPNRDHMDMPSLHSLEHLVAEIIRNHANYVVDWSPMGCQTGFYLTVLNHDNYTEILEVLEKTMQDVLKAKEVPASNEKQCGWAANHTLEGAQNLARAFLDKRAEWSEVGV
Complex: HYI_A_4(2FQO) / Model_2(2FQO/A) = [3.9] Download1106.2713.06MKMNVESFNLDHTKVKAPYVRIADRKKGVNGDLIVKYDVRFKQPNRDHMDMPSLHSLEHLVAEIIRNHANYVVDWSPMGCQTGFYLTVLNHDNYTEILEVLEKTMQDVLKAKEVPASNEKQCGWAANHTLEGAQNLARAFLDKRAEWSEVGV
Complex: MET_A_6(1J6W) / Model_23(1J6W/A) = [4.8] Download2317.2627.49MKMNVESFNLDHTKVKAPYVRIADRKKGVNGDLIVKYDVRFKQPNRDHMDMPSLHSLEHLVAEIIRNHANYVVDWSPMGCQTGFYLTVLNHDNYTEILEVLEKTMQDVLKAKEVPASNEKQCGWAANHTLEGAQNLARAFLDKRAEWSEVGV
Consensus
[pKd Mean = 4.10]
-1458
(s=610)
17
(s=6)
MKMNVESFNLDHTKVKAPYVRIADRKKGVNGDLIVKYDVRFKQPNRDHMDMPSLHSLEHLVAEIIRNHANYVVDWSPMGCQTGFYLTVLNHDNYTEILEVLEKTMQDVLKAKEVPASNEKQCGWAANHTLEGAQNLARAFLDKRAEWSEVGV