Study : jhp_0222 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: DPM_B_2(1YPN) / Model_3(1YPN/A) = [7.7] Download948.5419.77MEKLVIGSRGSELALWQANHIKERLKKECSMESEIRIVKTTGDKILDAPLNKIGGKGLFTKELEELLLKGAIDLAVHSLKDVPVVFEKGLDLACITKRADVRDTFLSVKFPDLMSLPKGAKVGTTSLRRSMQIKFKRKDLDTESLRGNVQTRLKKLECGEFDAIILAEAGLCRLNVQGAKYRKAFSVKEMIPSMGQGALGVEMLKNHKHFITLQKLNNEESAFCCHLEREFIKGLNGGCQIPIGVHANLMGDEVKIRAVLGLPNGKEVIAKEKQGDKTKAFDLVQELLEEFLQSGAKEILEKAQLF
Complex: DPM_A_3(3ECR) / Model_32(3ECR/A) = [7.7] Download1043.7924.74MEKLVIGSRGSELALWQANHIKERLKKECSMESEIRIVKTTGDKILDAPLNKIGGKGLFTKELEELLLKGAIDLAVHSLKDVPVVFEKGLDLACITKRADVRDTFLSVKFPDLMSLPKGAKVGTTSLRRSMQIKFKRKDLDTESLRGNVQTRLKKLECGEFDAIILAEAGLCRLNVQGAKYRKAFSVKEMIPSMGQGALGVEMLKNHKHFITLQKLNNEESAFCCHLEREFIKGLNGGCQIPIGVHANLMGDEVKIRAVLGLPNGKEVIAKEKQGDKTKAFDLVQELLEEFLQSGAKEILEKAQLF
Complex: DPM_A_2(2YPN) / Model_1(2YPN/A) = [8.2] Download1019.0015.48MEKLVIGSRGSELALWQANHIKERLKKECSMESEIRIVKTTGDKILDAPLNKIGGKGLFTKELEELLLKGAIDLAVHSLKDVPVVFEKGLDLACITKRADVRDTFLSVKFPDLMSLPKGAKVGTTSLRRSMQIKFKRKDLDTESLRGNVQTRLKKLECGEFDAIILAEAGLCRLNVQGAKYRKAFSVKEMIPSMGQGALGVEMLKNHKHFITLQKLNNEESAFCCHLEREFIKGLNGGCQIPIGVHANLMGDEVKIRAVLGLPNGKEVIAKEKQGDKTKAFDLVQELLEEFLQSGAKEILEKAQLF
Complex: DPM_A_2(1AH5) / Model_5(1AH5/A) = [8.2] Download980.1424.09MEKLVIGSRGSELALWQANHIKERLKKECSMESEIRIVKTTGDKILDAPLNKIGGKGLFTKELEELLLKGAIDLAVHSLKDVPVVFEKGLDLACITKRADVRDTFLSVKFPDLMSLPKGAKVGTTSLRRSMQIKFKRKDLDTESLRGNVQTRLKKLECGEFDAIILAEAGLCRLNVQGAKYRKAFSVKEMIPSMGQGALGVEMLKNHKHFITLQKLNNEESAFCCHLEREFIKGLNGGCQIPIGVHANLMGDEVKIRAVLGLPNGKEVIAKEKQGDKTKAFDLVQELLEEFLQSGAKEILEKAQLF
Complex: DPM_A_2(1GTK) / Model_31(1GTK/A) = [8.8] Download975.8821.68MEKLVIGSRGSELALWQANHIKERLKKECSMESEIRIVKTTGDKILDAPLNKIGGKGLFTKELEELLLKGAIDLAVHSLKDVPVVFEKGLDLACITKRADVRDTFLSVKFPDLMSLPKGAKVGTTSLRRSMQIKFKRKDLDTESLRGNVQTRLKKLECGEFDAIILAEAGLCRLNVQGAKYRKAFSVKEMIPSMGQGALGVEMLKNHKHFITLQKLNNEESAFCCHLEREFIKGLNGGCQIPIGVHANLMGDEVKIRAVLGLPNGKEVIAKEKQGDKTKAFDLVQELLEEFLQSGAKEILEKAQLF
Consensus
[pKd Mean = 8.12]
-993
(s=33)
21
(s=3)
MEKLVIGSRGSELALWQANHIKERLKKECSMESEIRIVKTTGDKILDAPLNKIGGKGLFTKELEELLLKGAIDLAVHSLKDVPVVFEKGLDLACITKRADVRDTFLSVKFPDLMSLPKGAKVGTTSLRRSMQIKFKRKDLDTESLRGNVQTRLKKLECGEFDAIILAEAGLCRLNVQGAKYRKAFSVKEMIPSMGQGALGVEMLKNHKHFITLQKLNNEESAFCCHLEREFIKGLNGGCQIPIGVHANLMGDEVKIRAVLGLPNGKEVIAKEKQGDKTKAFDLVQELLEEFLQSGAKEILEKAQLF