Study : jhp_0705 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: SAM_A_5(1TV8) / Model_20(1TV8/A) = [5.8] Download1387.2212.54MLVDSFNRVIDYIRVSVTKQCNFRCQYCMPTTPLDFFDDEELLPLDNVLEFLKIAIDEGVKKIRITGGEPLLRKGLDEFIAKLHAYNKEVALVLSTNGFSLKKMAKGLKDAGLSRVNVSLDSLKSDRVLKISQKDALKNTLEGIEESLKVGLKLKLNTVVMKGVNDDEILELLEYAKNRSIQIRYIEFMENTHAKSLVKGLKEKEILDLIAQKYKIMGMEKPKQGSSKIYTLENGYQFGIIAPHSDDFCQSCNRIRLASDGKICPCLYYQDAIDAKEAIINKDTKMMKRLLKQSIINKPEKNMWNDKNGGTPTRAFYYTGG
Complex: SAM_A_5(1TV8) / Model_46(1TV8/A) = [5.8] Download1425.0812.54MLVDSFNRVIDYIRVSVTKQCNFRCQYCMPTTPLDFFDDEELLPLDNVLEFLKIAIDEGVKKIRITGGEPLLRKGLDEFIAKLHAYNKEVALVLSTNGFSLKKMAKGLKDAGLSRVNVSLDSLKSDRVLKISQKDALKNTLEGIEESLKVGLKLKLNTVVMKGVNDDEILELLEYAKNRSIQIRYIEFMENTHAKSLVKGLKEKEILDLIAQKYKIMGMEKPKQGSSKIYTLENGYQFGIIAPHSDDFCQSCNRIRLASDGKICPCLYYQDAIDAKEAIINKDTKMMKRLLKQSIINKPEKNMWNDKNGGTPTRAFYYTGG
Consensus
[pKd Mean = 5.80]
-1406
(s=18)
12
(s=0)
MLVDSFNRVIDYIRVSVTKQCNFRCQYCMPTTPLDFFDDEELLPLDNVLEFLKIAIDEGVKKIRITGGEPLLRKGLDEFIAKLHAYNKEVALVLSTNGFSLKKMAKGLKDAGLSRVNVSLDSLKSDRVLKISQKDALKNTLEGIEESLKVGLKLKLNTVVMKGVNDDEILELLEYAKNRSIQIRYIEFMENTHAKSLVKGLKEKEILDLIAQKYKIMGMEKPKQGSSKIYTLENGYQFGIIAPHSDDFCQSCNRIRLASDGKICPCLYYQDAIDAKEAIINKDTKMMKRLLKQSIINKPEKNMWNDKNGGTPTRAFYYTGG