Study : bsu02410 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: HCS_A_6(5DMM) / Model_2(5DMM/A) = [3.2] Download590.4818.59MNPIQHILDTYPLIVLDGAMATELERKGCNLNDSLWSAKILMEEPELIKQVHTDYFAAGADCAITASYQSTFEGFAARGLSEAEARRLIELSVSIAAEARDEFWSLEENRLNRPKPIIAASIGPYGAYLADGSEYRGNYAISEDELIEFHRPRMKALIEAGADVLACETIPCLTEAKAIVRLLKEFPETYAWISFSAKDGLHISDGTPAADCASWLDEHRQIAALGINCTPLQHIPSLIEELKKNTSKPIIVYPNSGEQYDPETKTWNGAACAESYGASARTWHEKGARLIGGCCRTKPENIQEIAAWARSLKTT
Complex: HCS_A_6(5DMM) / Model_21(5DMM/A) = [3.2] Download534.6618.59MNPIQHILDTYPLIVLDGAMATELERKGCNLNDSLWSAKILMEEPELIKQVHTDYFAAGADCAITASYQSTFEGFAARGLSEAEARRLIELSVSIAAEARDEFWSLEENRLNRPKPIIAASIGPYGAYLADGSEYRGNYAISEDELIEFHRPRMKALIEAGADVLACETIPCLTEAKAIVRLLKEFPETYAWISFSAKDGLHISDGTPAADCASWLDEHRQIAALGINCTPLQHIPSLIEELKKNTSKPIIVYPNSGEQYDPETKTWNGAACAESYGASARTWHEKGARLIGGCCRTKPENIQEIAAWARSLKTT
Consensus
[pKd Mean = 3.20]
-562
(s=27)
18
(s=0)
MNPIQHILDTYPLIVLDGAMATELERKGCNLNDSLWSAKILMEEPELIKQVHTDYFAAGADCAITASYQSTFEGFAARGLSEAEARRLIELSVSIAAEARDEFWSLEENRLNRPKPIIAASIGPYGAYLADGSEYRGNYAISEDELIEFHRPRMKALIEAGADVLACETIPCLTEAKAIVRLLKEFPETYAWISFSAKDGLHISDGTPAADCASWLDEHRQIAALGINCTPLQHIPSLIEELKKNTSKPIIVYPNSGEQYDPETKTWNGAACAESYGASARTWHEKGARLIGGCCRTKPENIQEIAAWARSLKTT