Study : SA1925 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: NACID_C_3(4HQE) / Model_17(4HQE/B) = [4.0] Download--MMEVCPYLEETFKILGRSWNGLIINYLSRCNDCSAHFSDMKRDLKTITPRALSLKLSELAQWELVEKQIISTSPVQIIYVLTEKGKALAEALHPIEAWAQSYVDLTDQRTAK
Complex: NACID_C_3(4HQE) / Model_1(4HQE/A) = [4.6] Download--MMEVCPYLEETFKILGRSWNGLIINYLSRCNDCSAHFSDMKRDLKTITPRALSLKLSELAQWELVEKQIISTSPVQIIYVLTEKGKALAEALHPIEAWAQSYVDLTDQRTAK
Complex: NACID_C_3(4HQE) / Model_42(4HQE/A) = [4.6] Download--MMEVCPYLEETFKILGRSWNGLIINYLSRCNDCSAHFSDMKRDLKTITPRALSLKLSELAQWELVEKQIISTSPVQIIYVLTEKGKALAEALHPIEAWAQSYVDLTDQRTAK
Consensus
[pKd Mean = 4.40]
-0
(s=0)
0
(s=0)
MMEVCPYLEETFKILGRSWNGLIINYLSRCNDCSAHFSDMKRDLKTITPRALSLKLSELAQWELVEKQIISTSPVQIIYVLTEKGKALAEALHPIEAWAQSYVDLTDQRTAK