Study : bsu15600 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: TLA_C_3(1D6J) / Model_125(1D6J/A) = [3.6] Download568.0115.07MTNRDIVWHEASITKEEYQQKNKHKSSILWLTGLSGSGKSTIANAAARELFEQGYQVIVLDGDNIRHGLNRDLGFSDEDRKENIRRIGEVAKLFVQQGTIVITAFISPFREDRQQVRELVEAGEFNEVYIKCDLDICEQRDPKGLYKKARNGEIPFFTGIDSPYEEPEAPELVLDSGQHDREACKNQLIEFVKQKLS
Complex: TLA_C_3(1D6J) / Model_11(1D6J/A) = [3.6] Download575.9415.07MTNRDIVWHEASITKEEYQQKNKHKSSILWLTGLSGSGKSTIANAAARELFEQGYQVIVLDGDNIRHGLNRDLGFSDEDRKENIRRIGEVAKLFVQQGTIVITAFISPFREDRQQVRELVEAGEFNEVYIKCDLDICEQRDPKGLYKKARNGEIPFFTGIDSPYEEPEAPELVLDSGQHDREACKNQLIEFVKQKLS
Complex: ADX_B_7(4BZQ) / Model_45(4BZQ/B) = [3.7] Download764.5815.95MTNRDIVWHEASITKEEYQQKNKHKSSILWLTGLSGSGKSTIANAAARELFEQGYQVIVLDGDNIRHGLNRDLGFSDEDRKENIRRIGEVAKLFVQQGTIVITAFISPFREDRQQVRELVEAGEFNEVYIKCDLDICEQRDPKGLYKKARNGEIPFFTGIDSPYEEPEAPELVLDSGQHDREACKNQLIEFVKQKLS
Complex: ANP_C_15(5CB6) / Model_50(5CB6/C) = [5.4] Download1000.4910.82MTNRDIVWHEASITKEEYQQKNKHKSSILWLTGLSGSGKSTIANAAARELFEQGYQVIVLDGDNIRHGLNRDLGFSDEDRKENIRRIGEVAKLFVQQGTIVITAFISPFREDRQQVRELVEAGEFNEVYIKCDLDICEQRDPKGLYKKARNGEIPFFTGIDSPYEEPEAPELVLDSGQHDREACKNQLIEFVKQKLS
Complex: ADP_B_8(4BZP) / Model_43(4BZP/B) = [5.5] Download951.1510.05MTNRDIVWHEASITKEEYQQKNKHKSSILWLTGLSGSGKSTIANAAARELFEQGYQVIVLDGDNIRHGLNRDLGFSDEDRKENIRRIGEVAKLFVQQGTIVITAFISPFREDRQQVRELVEAGEFNEVYIKCDLDICEQRDPKGLYKKARNGEIPFFTGIDSPYEEPEAPELVLDSGQHDREACKNQLIEFVKQKLS
Consensus
[pKd Mean = 4.36]
-772
(s=181)
13
(s=2)
MTNRDIVWHEASITKEEYQQKNKHKSSILWLTGLSGSGKSTIANAAARELFEQGYQVIVLDGDNIRHGLNRDLGFSDEDRKENIRRIGEVAKLFVQQGTIVITAFISPFREDRQQVRELVEAGEFNEVYIKCDLDICEQRDPKGLYKKARNGEIPFFTGIDSPYEEPEAPELVLDSGQHDREACKNQLIEFVKQKLS