Study : jhp_0755 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C11_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 C11_S1
Complex: NACID_C_3(3FC3) / Model_43(3FC3/A) = [4.9] Download--MLKNDDFVIAKNQLGNIVPNSVGVIRAVNGKSAMVLFIGLNELKRVDFSELEAIDIYRTGKGYDKKICNICHILKNTDGFEINQTDAKGRKTTRPSCRECRKNIDGVKLSSTEKKKMDEIAPPKGSVFTCPICEKRSIVGVTANLVHDHNHDTGWGREWICDSCNTGLGRFKDNPKFLEKVIEYLKKYEK
Complex: NACID_C_3(3FC3) / Model_1(3FC3/A) = [4.9] Download--MLKNDDFVIAKNQLGNIVPNSVGVIRAVNGKSAMVLFIGLNELKRVDFSELEAIDIYRTGKGYDKKICNICHILKNTDGFEINQTDAKGRKTTRPSCRECRKNIDGVKLSSTEKKKMDEIAPPKGSVFTCPICEKRSIVGVTANLVHDHNHDTGWGREWICDSCNTGLGRFKDNPKFLEKVIEYLKKYEK
Complex: NACID_C_3(3GOX) / Model_2(3GOX/A) = [4.9] Download--MLKNDDFVIAKNQLGNIVPNSVGVIRAVNGKSAMVLFIGLNELKRVDFSELEAIDIYRTGKGYDKKICNICHILKNTDGFEINQTDAKGRKTTRPSCRECRKNIDGVKLSSTEKKKMDEIAPPKGSVFTCPICEKRSIVGVTANLVHDHNHDTGWGREWICDSCNTGLGRFKDNPKFLEKVIEYLKKYEK
Complex: NACID_C_3(3GOX) / Model_17(3GOX/A) = [4.9] Download--MLKNDDFVIAKNQLGNIVPNSVGVIRAVNGKSAMVLFIGLNELKRVDFSELEAIDIYRTGKGYDKKICNICHILKNTDGFEINQTDAKGRKTTRPSCRECRKNIDGVKLSSTEKKKMDEIAPPKGSVFTCPICEKRSIVGVTANLVHDHNHDTGWGREWICDSCNTGLGRFKDNPKFLEKVIEYLKKYEK
Complex: NACID_C_3(3GOX) / Model_15(3GOX/B) = [11.0] Download--MLKNDDFVIAKNQLGNIVPNSVGVIRAVNGKSAMVLFIGLNELKRVDFSELEAIDIYRTGKGYDKKICNICHILKNTDGFEINQTDAKGRKTTRPSCRECRKNIDGVKLSSTEKKKMDEIAPPKGSVFTCPICEKRSIVGVTANLVHDHNHDTGWGREWICDSCNTGLGRFKDNPKFLEKVIEYLKKYEK
Consensus
[pKd Mean = 6.12]
-0
(s=0)
0
(s=0)
MLKNDDFVIAKNQLGNIVPNSVGVIRAVNGKSAMVLFIGLNELKRVDFSELEAIDIYRTGKGYDKKICNICHILKNTDGFEINQTDAKGRKTTRPSCRECRKNIDGVKLSSTEKKKMDEIAPPKGSVFTCPICEKRSIVGVTANLVHDHNHDTGWGREWICDSCNTGLGRFKDNPKFLEKVIEYLKKYEK