Study : PF00061_RABP1_CHICK (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C10_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 C10_S1
Complex: LSR_A_3(3F8A) / Model_41(3F8A/A) = [3.2] Download831.1134.21MPNFAGTWKMRSSENFDELLKALGVNAMLRKVAVAAASKPHVEIRQDGDQFYIKTSTTVRTTEINFKIGESFEEETVDGRKCRSLATWENENKIYCKQTLIEGDGPKTYWTRELANDELILTFGADDVVCTRIYVRE
Complex: LSR_B_4(3FA6) / Model_37(3FA6/B) = [3.2] Download846.5929.00MPNFAGTWKMRSSENFDELLKALGVNAMLRKVAVAAASKPHVEIRQDGDQFYIKTSTTVRTTEINFKIGESFEEETVDGRKCRSLATWENENKIYCKQTLIEGDGPKTYWTRELANDELILTFGADDVVCTRIYVRE
Complex: HXA_C_3(1FDQ) / Model_54(1FDQ/A) = [3.3] Download893.4927.03MPNFAGTWKMRSSENFDELLKALGVNAMLRKVAVAAASKPHVEIRQDGDQFYIKTSTTVRTTEINFKIGESFEEETVDGRKCRSLATWENENKIYCKQTLIEGDGPKTYWTRELANDELILTFGADDVVCTRIYVRE
Complex: EDO_A_4(4A60) / Model_72(4A60/A) = [3.3] Download327.8633.50MPNFAGTWKMRSSENFDELLKALGVNAMLRKVAVAAASKPHVEIRQDGDQFYIKTSTTVRTTEINFKIGESFEEETVDGRKCRSLATWENENKIYCKQTLIEGDGPKTYWTRELANDELILTFGADDVVCTRIYVRE
Complex: LSR_A_3(3FA6) / Model_38(3FA6/A) = [3.4] Download665.2124.40MPNFAGTWKMRSSENFDELLKALGVNAMLRKVAVAAASKPHVEIRQDGDQFYIKTSTTVRTTEINFKIGESFEEETVDGRKCRSLATWENENKIYCKQTLIEGDGPKTYWTRELANDELILTFGADDVVCTRIYVRE
Consensus
[pKd Mean = 3.28]
-712
(s=207)
29
(s=3)
MPNFAGTWKMRSSENFDELLKALGVNAMLRKVAVAAASKPHVEIRQDGDQFYIKTSTTVRTTEINFKIGESFEEETVDGRKCRSLATWENENKIYCKQTLIEGDGPKTYWTRELANDELILTFGADDVVCTRIYVRE