Study : Wbm0409 (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: C5P_E_14(3F0G) / Model_94(3F0G/D) = [3.1] Download820.42-2.09MTLADKPVLSHAVKKLLTNQYIDYVRVIINRNHEDFYRETIDSLHNYYLSEAVHSFQYVTLKSRKKEEWIPVSSTGMKGRVDTKLLSPVYGGKSRQNSVKLGLESLQKINPDFVVIHDACRPFVSNTLINNLARSMINNQHTGVVPAIEVEDTISLVNDDLIESTIPRERLRAIQTPQIFNFKELLSYHRSNKEFTDDSSLMVEHKKRVVVTRGEKINFKLTTKEDINMAKLLLDEPKYRVGTGYDIHRFIKAQGKAKSFIKICGVEIEYDMKIEAHSDGDVAIHAVVDAILGALGCGDIGAHFPPSFPEWKDRNSSHFLDFAAKKAKEKGYSVSNLDITIVCEEPKISPYKVAMKKFISKTLEIDSEFVNVKATTTEKLGSIGRNEGILAHASVLLYKIAPLHN
Complex: C5P_C_12(1H47) / Model_41(1H47/B) = [3.1] Download1172.497.00MTLADKPVLSHAVKKLLTNQYIDYVRVIINRNHEDFYRETIDSLHNYYLSEAVHSFQYVTLKSRKKEEWIPVSSTGMKGRVDTKLLSPVYGGKSRQNSVKLGLESLQKINPDFVVIHDACRPFVSNTLINNLARSMINNQHTGVVPAIEVEDTISLVNDDLIESTIPRERLRAIQTPQIFNFKELLSYHRSNKEFTDDSSLMVEHKKRVVVTRGEKINFKLTTKEDINMAKLLLDEPKYRVGTGYDIHRFIKAQGKAKSFIKICGVEIEYDMKIEAHSDGDVAIHAVVDAILGALGCGDIGAHFPPSFPEWKDRNSSHFLDFAAKKAKEKGYSVSNLDITIVCEEPKISPYKVAMKKFISKTLEIDSEFVNVKATTTEKLGSIGRNEGILAHASVLLYKIAPLHN
Complex: HHV_C_10(3JVH) / Model_83(3JVH/C) = [3.1] Download689.50-6.82MTLADKPVLSHAVKKLLTNQYIDYVRVIINRNHEDFYRETIDSLHNYYLSEAVHSFQYVTLKSRKKEEWIPVSSTGMKGRVDTKLLSPVYGGKSRQNSVKLGLESLQKINPDFVVIHDACRPFVSNTLINNLARSMINNQHTGVVPAIEVEDTISLVNDDLIESTIPRERLRAIQTPQIFNFKELLSYHRSNKEFTDDSSLMVEHKKRVVVTRGEKINFKLTTKEDINMAKLLLDEPKYRVGTGYDIHRFIKAQGKAKSFIKICGVEIEYDMKIEAHSDGDVAIHAVVDAILGALGCGDIGAHFPPSFPEWKDRNSSHFLDFAAKKAKEKGYSVSNLDITIVCEEPKISPYKVAMKKFISKTLEIDSEFVNVKATTTEKLGSIGRNEGILAHASVLLYKIAPLHN
Complex: HHV_B_8(3JVH) / Model_84(3JVH/B) = [3.1] Download957.50-2.08MTLADKPVLSHAVKKLLTNQYIDYVRVIINRNHEDFYRETIDSLHNYYLSEAVHSFQYVTLKSRKKEEWIPVSSTGMKGRVDTKLLSPVYGGKSRQNSVKLGLESLQKINPDFVVIHDACRPFVSNTLINNLARSMINNQHTGVVPAIEVEDTISLVNDDLIESTIPRERLRAIQTPQIFNFKELLSYHRSNKEFTDDSSLMVEHKKRVVVTRGEKINFKLTTKEDINMAKLLLDEPKYRVGTGYDIHRFIKAQGKAKSFIKICGVEIEYDMKIEAHSDGDVAIHAVVDAILGALGCGDIGAHFPPSFPEWKDRNSSHFLDFAAKKAKEKGYSVSNLDITIVCEEPKISPYKVAMKKFISKTLEIDSEFVNVKATTTEKLGSIGRNEGILAHASVLLYKIAPLHN
Complex: 1AA_E_17(2AMT) / Model_51(2AMT/D) = [3.1] Download1506.567.00MTLADKPVLSHAVKKLLTNQYIDYVRVIINRNHEDFYRETIDSLHNYYLSEAVHSFQYVTLKSRKKEEWIPVSSTGMKGRVDTKLLSPVYGGKSRQNSVKLGLESLQKINPDFVVIHDACRPFVSNTLINNLARSMINNQHTGVVPAIEVEDTISLVNDDLIESTIPRERLRAIQTPQIFNFKELLSYHRSNKEFTDDSSLMVEHKKRVVVTRGEKINFKLTTKEDINMAKLLLDEPKYRVGTGYDIHRFIKAQGKAKSFIKICGVEIEYDMKIEAHSDGDVAIHAVVDAILGALGCGDIGAHFPPSFPEWKDRNSSHFLDFAAKKAKEKGYSVSNLDITIVCEEPKISPYKVAMKKFISKTLEIDSEFVNVKATTTEKLGSIGRNEGILAHASVLLYKIAPLHN
Consensus
[pKd Mean = 3.10]
-1029
(s=287)
0
(s=5)
MTLADKPVLSHAVKKLLTNQYIDYVRVIINRNHEDFYRETIDSLHNYYLSEAVHSFQYVTLKSRKKEEWIPVSSTGMKGRVDTKLLSPVYGGKSRQNSVKLGLESLQKINPDFVVIHDACRPFVSNTLINNLARSMINNQHTGVVPAIEVEDTISLVNDDLIESTIPRERLRAIQTPQIFNFKELLSYHRSNKEFTDDSSLMVEHKKRVVVTRGEKINFKLTTKEDINMAKLLLDEPKYRVGTGYDIHRFIKAQGKAKSFIKICGVEIEYDMKIEAHSDGDVAIHAVVDAILGALGCGDIGAHFPPSFPEWKDRNSSHFLDFAAKKAKEKGYSVSNLDITIVCEEPKISPYKVAMKKFISKTLEIDSEFVNVKATTTEKLGSIGRNEGILAHASVLLYKIAPLHN