Study : 324_tI_PLAOI (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: DAO_E_5(2ALG) / Model_21(2ALG/A) = [4.0] Download691.9239.04AITCGTVVTRLTPCLTYLRSGGAVAPACCNGVKALNNDAKTTPDRQAACGCLKTASTSISGIQLGNAASLAGKCGVNLPYKISPTIDCSKVK
Complex: LPC_A_4(1BWO) / Model_26(1BWO/A) = [4.3] Download1465.3245.38AITCGTVVTRLTPCLTYLRSGGAVAPACCNGVKALNNDAKTTPDRQAACGCLKTASTSISGIQLGNAASLAGKCGVNLPYKISPTIDCSKVK
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [5.9] Download1106.8242.82AITCGTVVTRLTPCLTYLRSGGAVAPACCNGVKALNNDAKTTPDRQAACGCLKTASTSISGIQLGNAASLAGKCGVNLPYKISPTIDCSKVK
Complex: LPC_A_3(1BWO) / Model_26(1BWO/A) = [7.0] Download1661.1341.17AITCGTVVTRLTPCLTYLRSGGAVAPACCNGVKALNNDAKTTPDRQAACGCLKTASTSISGIQLGNAASLAGKCGVNLPYKISPTIDCSKVK
Consensus
[pKd Mean = 5.30]
-1231
(s=369)
42
(s=2)
AITCGTVVTRLTPCLTYLRSGGAVAPACCNGVKALNNDAKTTPDRQAACGCLKTASTSISGIQLGNAASLAGKCGVNLPYKISPTIDCSKVK