Study : PA0010 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: NACID_C_1(2OFI) / Model_3(2OFI/A) = [4.1] Download--MPRCFWCNDDPLYMAYHDEEWGVPQRDPDALFELLLLEGFQAGLSWITVLKKRERYREVLFGFDVQRVAQMSDAEIDELMLDPGIIRNRAKLNAARQNAQAWLELDDPAGFLWSFVGGQPKINHFAGRAEVPAITPEAEAMSKALRKAGFNFVGPTICYAFMQASGMVMDHTQDCDRYAQLVG
Complex: ADK_A_6(2OFI) / Model_3(2OFI/A) = [4.1] Download471.1645.29MPRCFWCNDDPLYMAYHDEEWGVPQRDPDALFELLLLEGFQAGLSWITVLKKRERYREVLFGFDVQRVAQMSDAEIDELMLDPGIIRNRAKLNAARQNAQAWLELDDPAGFLWSFVGGQPKINHFAGRAEVPAITPEAEAMSKALRKAGFNFVGPTICYAFMQASGMVMDHTQDCDRYAQLVG
Complex: NACID_B_2(2OFI) / Model_3(2OFI/A) = [4.6] Download--MPRCFWCNDDPLYMAYHDEEWGVPQRDPDALFELLLLEGFQAGLSWITVLKKRERYREVLFGFDVQRVAQMSDAEIDELMLDPGIIRNRAKLNAARQNAQAWLELDDPAGFLWSFVGGQPKINHFAGRAEVPAITPEAEAMSKALRKAGFNFVGPTICYAFMQASGMVMDHTQDCDRYAQLVG
Consensus
[pKd Mean = 4.27]
-471
(s=0)
45
(s=0)
MPRCFWCNDDPLYMAYHDEEWGVPQRDPDALFELLLLEGFQAGLSWITVLKKRERYREVLFGFDVQRVAQMSDAEIDELMLDPGIIRNRAKLNAARQNAQAWLELDDPAGFLWSFVGGQPKINHFAGRAEVPAITPEAEAMSKALRKAGFNFVGPTICYAFMQASGMVMDHTQDCDRYAQLVG