Study : Wbm0083 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: INI_C_8(4GQN) / Model_21(4GQN/C) = [4.4] Download584.7329.06MFKGIITNIGTIINTTIRSNSDQIFHIKAQNLSSIHEGDSIACSGVCLTVVDIINDIFTVQISQETMKVSNLGAWKVGKKINLEQAMRLSDKIDGHLVHGHVDETAKILTINQNLGSHEIKLSCPQELIKFVAKKGSVTLDGVSLTVNSVIGREFTVNIIPYTWQNTTFQYNKVNDYLNLEVDMIARYLDQLIQYKYN
Complex: INI_B_6(4GQN) / Model_22(4GQN/B) = [5.4] Download1011.6224.20MFKGIITNIGTIINTTIRSNSDQIFHIKAQNLSSIHEGDSIACSGVCLTVVDIINDIFTVQISQETMKVSNLGAWKVGKKINLEQAMRLSDKIDGHLVHGHVDETAKILTINQNLGSHEIKLSCPQELIKFVAKKGSVTLDGVSLTVNSVIGREFTVNIIPYTWQNTTFQYNKVNDYLNLEVDMIARYLDQLIQYKYN
Complex: RBF_A_4(4E0F) / Model_1(4E0F/A) = [6.0] Download1054.9432.59MFKGIITNIGTIINTTIRSNSDQIFHIKAQNLSSIHEGDSIACSGVCLTVVDIINDIFTVQISQETMKVSNLGAWKVGKKINLEQAMRLSDKIDGHLVHGHVDETAKILTINQNLGSHEIKLSCPQELIKFVAKKGSVTLDGVSLTVNSVIGREFTVNIIPYTWQNTTFQYNKVNDYLNLEVDMIARYLDQLIQYKYN
Complex: CRM_A_4(1KZL) / Model_5(1KZL/A) = [6.0] Download1093.2530.78MFKGIITNIGTIINTTIRSNSDQIFHIKAQNLSSIHEGDSIACSGVCLTVVDIINDIFTVQISQETMKVSNLGAWKVGKKINLEQAMRLSDKIDGHLVHGHVDETAKILTINQNLGSHEIKLSCPQELIKFVAKKGSVTLDGVSLTVNSVIGREFTVNIIPYTWQNTTFQYNKVNDYLNLEVDMIARYLDQLIQYKYN
Complex: CRM_A_4(1KZL) / Model_29(1KZL/A) = [6.0] Download1206.1330.78MFKGIITNIGTIINTTIRSNSDQIFHIKAQNLSSIHEGDSIACSGVCLTVVDIINDIFTVQISQETMKVSNLGAWKVGKKINLEQAMRLSDKIDGHLVHGHVDETAKILTINQNLGSHEIKLSCPQELIKFVAKKGSVTLDGVSLTVNSVIGREFTVNIIPYTWQNTTFQYNKVNDYLNLEVDMIARYLDQLIQYKYN
Consensus
[pKd Mean = 5.56]
-990
(s=212)
29
(s=2)
MFKGIITNIGTIINTTIRSNSDQIFHIKAQNLSSIHEGDSIACSGVCLTVVDIINDIFTVQISQETMKVSNLGAWKVGKKINLEQAMRLSDKIDGHLVHGHVDETAKILTINQNLGSHEIKLSCPQELIKFVAKKGSVTLDGVSLTVNSVIGREFTVNIIPYTWQNTTFQYNKVNDYLNLEVDMIARYLDQLIQYKYN