Study : PA4678 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: CHAIN_F_6(2CNM) / Model_26(2CNM/C) = [5.7] Download--MSDAISFRPMTEADLDAVLKIEYAAFSHPWTRGIFSEGLKNYHCWLMFEGSQQVGHGVIQIILDEAHLLNITVKPESQGRGLGLRLLEHLMREAAGHQARECFLEVRASNQAAYRLYERYGFNEIGRRRDYYPAVGGREDALVMACTLFD
Complex: CHAIN_E_5(2CNM) / Model_27(2CNM/B) = [6.4] Download--MSDAISFRPMTEADLDAVLKIEYAAFSHPWTRGIFSEGLKNYHCWLMFEGSQQVGHGVIQIILDEAHLLNITVKPESQGRGLGLRLLEHLMREAAGHQARECFLEVRASNQAAYRLYERYGFNEIGRRRDYYPAVGGREDALVMACTLFD
Complex: CHAIN_D_4(2CNM) / Model_1(2CNM/A) = [6.6] Download--MSDAISFRPMTEADLDAVLKIEYAAFSHPWTRGIFSEGLKNYHCWLMFEGSQQVGHGVIQIILDEAHLLNITVKPESQGRGLGLRLLEHLMREAAGHQARECFLEVRASNQAAYRLYERYGFNEIGRRRDYYPAVGGREDALVMACTLFD
Complex: COA_F_9(2CNM) / Model_26(2CNM/C) = [8.7] Download1961.4933.33MSDAISFRPMTEADLDAVLKIEYAAFSHPWTRGIFSEGLKNYHCWLMFEGSQQVGHGVIQIILDEAHLLNITVKPESQGRGLGLRLLEHLMREAAGHQARECFLEVRASNQAAYRLYERYGFNEIGRRRDYYPAVGGREDALVMACTLFD
Complex: COA_C_10(2CNT) / Model_22(2CNT/C) = [9.0] Download1414.7032.13MSDAISFRPMTEADLDAVLKIEYAAFSHPWTRGIFSEGLKNYHCWLMFEGSQQVGHGVIQIILDEAHLLNITVKPESQGRGLGLRLLEHLMREAAGHQARECFLEVRASNQAAYRLYERYGFNEIGRRRDYYPAVGGREDALVMACTLFD
Consensus
[pKd Mean = 7.28]
-1688
(s=273)
32
(s=0)
MSDAISFRPMTEADLDAVLKIEYAAFSHPWTRGIFSEGLKNYHCWLMFEGSQQVGHGVIQIILDEAHLLNITVKPESQGRGLGLRLLEHLMREAAGHQARECFLEVRASNQAAYRLYERYGFNEIGRRRDYYPAVGGREDALVMACTLFD