Study : Wbm0093 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: CTN_A_2(4JWK) / Model_24(4JWK/A) = [3.5] Download827.4525.60MHLIVGLGNPGSQYELTYHNIGFIIVDAICKHWNFQSFSKKADCLITSSVINDNKIMLMKPYSFMNNSGIPVARIRNFYKFSLDNVIVIHDDADLEPGRIKIKKGGGSAGHNGLKSIDSSIGNDYWRLRFGIGRSDSQRSLADYVLSKFSNLDDVIPLVERIAQNIHLMLQGNNIAFTNSIV
Complex: URI_A_2(4JX9) / Model_23(4JX9/A) = [4.1] Download600.6430.55MHLIVGLGNPGSQYELTYHNIGFIIVDAICKHWNFQSFSKKADCLITSSVINDNKIMLMKPYSFMNNSGIPVARIRNFYKFSLDNVIVIHDDADLEPGRIKIKKGGGSAGHNGLKSIDSSIGNDYWRLRFGIGRSDSQRSLADYVLSKFSNLDDVIPLVERIAQNIHLMLQGNNIAFTNSIV
Consensus
[pKd Mean = 3.80]
-714
(s=113)
28
(s=2)
MHLIVGLGNPGSQYELTYHNIGFIIVDAICKHWNFQSFSKKADCLITSSVINDNKIMLMKPYSFMNNSGIPVARIRNFYKFSLDNVIVIHDDADLEPGRIKIKKGGGSAGHNGLKSIDSSIGNDYWRLRFGIGRSDSQRSLADYVLSKFSNLDDVIPLVERIAQNIHLMLQGNNIAFTNSIV