Study : bsu29080 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: NACID_B_2(4G4R) / Model_39(4G4R/A) = [3.9] Download--MPELPEVETVRRTLTGLVKGKTIKSVEIRWPNIIKRPAEPEEFARKLAGETIQSIGRRGKFLLFHLDHYVMVSHLRMEGKYGLHQAEEPDDKHVHVIFTMTDGTQLRYRDVRKFGTMHLFKPGEEAGELPLSQLGPEPDAEEFTSAYLKDRLAKTNRAVKTALLDQKTVVGLGNIYVDEALFRAGVHPETKANQLSDKTIKTLHAEIKNTLQEAIDAGGSTVRSYINSQGEIGMFQLQHFVYGKKDEPCKNCGTMISKIVVGGRGTHFCAKCQTKK
Complex: NACID_B_2(3SAS) / Model_27(3SAS/A) = [4.2] Download--MPELPEVETVRRTLTGLVKGKTIKSVEIRWPNIIKRPAEPEEFARKLAGETIQSIGRRGKFLLFHLDHYVMVSHLRMEGKYGLHQAEEPDDKHVHVIFTMTDGTQLRYRDVRKFGTMHLFKPGEEAGELPLSQLGPEPDAEEFTSAYLKDRLAKTNRAVKTALLDQKTVVGLGNIYVDEALFRAGVHPETKANQLSDKTIKTLHAEIKNTLQEAIDAGGSTVRSYINSQGEIGMFQLQHFVYGKKDEPCKNCGTMISKIVVGGRGTHFCAKCQTKK
Complex: NACID_C_2(1TDZ) / Model_44(1TDZ/A) = [4.2] Download--MPELPEVETVRRTLTGLVKGKTIKSVEIRWPNIIKRPAEPEEFARKLAGETIQSIGRRGKFLLFHLDHYVMVSHLRMEGKYGLHQAEEPDDKHVHVIFTMTDGTQLRYRDVRKFGTMHLFKPGEEAGELPLSQLGPEPDAEEFTSAYLKDRLAKTNRAVKTALLDQKTVVGLGNIYVDEALFRAGVHPETKANQLSDKTIKTLHAEIKNTLQEAIDAGGSTVRSYINSQGEIGMFQLQHFVYGKKDEPCKNCGTMISKIVVGGRGTHFCAKCQTKK
Complex: NACID_B_1(1R2Z) / Model_7(1R2Z/A) = [4.5] Download--MPELPEVETVRRTLTGLVKGKTIKSVEIRWPNIIKRPAEPEEFARKLAGETIQSIGRRGKFLLFHLDHYVMVSHLRMEGKYGLHQAEEPDDKHVHVIFTMTDGTQLRYRDVRKFGTMHLFKPGEEAGELPLSQLGPEPDAEEFTSAYLKDRLAKTNRAVKTALLDQKTVVGLGNIYVDEALFRAGVHPETKANQLSDKTIKTLHAEIKNTLQEAIDAGGSTVRSYINSQGEIGMFQLQHFVYGKKDEPCKNCGTMISKIVVGGRGTHFCAKCQTKK
Complex: NACID_B_2(3GQ4) / Model_19(3GQ4/A) = [4.5] Download--MPELPEVETVRRTLTGLVKGKTIKSVEIRWPNIIKRPAEPEEFARKLAGETIQSIGRRGKFLLFHLDHYVMVSHLRMEGKYGLHQAEEPDDKHVHVIFTMTDGTQLRYRDVRKFGTMHLFKPGEEAGELPLSQLGPEPDAEEFTSAYLKDRLAKTNRAVKTALLDQKTVVGLGNIYVDEALFRAGVHPETKANQLSDKTIKTLHAEIKNTLQEAIDAGGSTVRSYINSQGEIGMFQLQHFVYGKKDEPCKNCGTMISKIVVGGRGTHFCAKCQTKK
Consensus
[pKd Mean = 4.26]
-0
(s=0)
0
(s=0)
MPELPEVETVRRTLTGLVKGKTIKSVEIRWPNIIKRPAEPEEFARKLAGETIQSIGRRGKFLLFHLDHYVMVSHLRMEGKYGLHQAEEPDDKHVHVIFTMTDGTQLRYRDVRKFGTMHLFKPGEEAGELPLSQLGPEPDAEEFTSAYLKDRLAKTNRAVKTALLDQKTVVGLGNIYVDEALFRAGVHPETKANQLSDKTIKTLHAEIKNTLQEAIDAGGSTVRSYINSQGEIGMFQLQHFVYGKKDEPCKNCGTMISKIVVGGRGTHFCAKCQTKK