Study : PA1159 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: TRS_A_7(1C9O) / Model_55(1C9O/A) = [3.1] Download310.9734.60MADREVGTVKWFNDAKGYGFIQRDSGPDVFVHYRAIRGEGHRSLVEGQKVEFSVIQGQKGLQAEDVSKV
Complex: TRS_A_7(1C9O) / Model_72(1C9O/A) = [3.1] Download302.0934.60MADREVGTVKWFNDAKGYGFIQRDSGPDVFVHYRAIRGEGHRSLVEGQKVEFSVIQGQKGLQAEDVSKV
Complex: NACID_U_3(3TS2) / Model_67(3TS2/A) = [12.0] Download--MADREVGTVKWFNDAKGYGFIQRDSGPDVFVHYRAIRGEGHRSLVEGQKVEFSVIQGQKGLQAEDVSKV
Consensus
[pKd Mean = 6.07]
-306
(s=4)
34
(s=0)
MADREVGTVKWFNDAKGYGFIQRDSGPDVFVHYRAIRGEGHRSLVEGQKVEFSVIQGQKGLQAEDVSKV