Study : jhp_0070 (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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: TLA_A_3(4MRQ) / Model_5(4MRQ/A) = [3.7] Download749.20-12.60MKIFGTDGVRGKAGVKLTPMFVMRLGIAAGLYFKKHSQTNKILIGKDTRKSGYMVENALVSALTSIGYNVIQIGPMPTPAIAFLTEDMRCDAGIMISASHNPFEDNGIKFFNSYGYKLKEEEERAIEEIFHDEELLHSSYKVGESVGSAKRIDDVIGRYIAHLKHSFPKHLNLQKLRIVLDTANGAAYKVAPVVFSELGADVLVINDEPNGCNINEQCGALHPNQLSQEVKKYRADLGFAFDGDADRLVVVDNLGNIVHGDKLLGVLGVYQKSKNALSSQAVVATSMSNLALKEYLKSQDLELKHCAIGDKFVSECMRLNKANFGGEQSGHIIFSDYAKTGDGLVCALQVSALVLESKLVSSIALNPFELYPQSLVNLNIQKKPPLESLKGYSALLKELDQLEIRHLIRYSGTENKLRILLEAKDEKLLESKMQELKEFFEGQLC
Consensus
[pKd Mean = 3.70]
-749
(s=0)
-12
(s=0)
MKIFGTDGVRGKAGVKLTPMFVMRLGIAAGLYFKKHSQTNKILIGKDTRKSGYMVENALVSALTSIGYNVIQIGPMPTPAIAFLTEDMRCDAGIMISASHNPFEDNGIKFFNSYGYKLKEEEERAIEEIFHDEELLHSSYKVGESVGSAKRIDDVIGRYIAHLKHSFPKHLNLQKLRIVLDTANGAAYKVAPVVFSELGADVLVINDEPNGCNINEQCGALHPNQLSQEVKKYRADLGFAFDGDADRLVVVDNLGNIVHGDKLLGVLGVYQKSKNALSSQAVVATSMSNLALKEYLKSQDLELKHCAIGDKFVSECMRLNKANFGGEQSGHIIFSDYAKTGDGLVCALQVSALVLESKLVSSIALNPFELYPQSLVNLNIQKKPPLESLKGYSALLKELDQLEIRHLIRYSGTENKLRILLEAKDEKLLESKMQELKEFFEGQLC