Study : bsu06530 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C1_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 C1_S1
Complex: AMP_A_4(2YRX) / Model_33(2YRX/A) = [3.5] Download1225.2720.43MNVLIIGKGGREHTLAWKAAQSSLVENVFAAPGNDGMAASAQLVNIEESDHAGLVSFAKQNQVGLTIVGPEVPLIEGLVDEFEKAGLHVFGPSKAAAIIEGSKQFAKDLMKKYDIPTAEYETFTSFDEAKAYVQEKGAPIVIKADGLAAGKGVTVAMTEEEAIACLHDFLEDEKFGDASASVVIEEYLSGEEFSLMAFVKGEKVYPMVIAQDHKRAFDGDKGPNTGGMGAYSPVPQISEETVRHAVETIVKPAAKAMVQEGRSFTGVLYAGLMLTENGSKVIEFNARFGDPETQVVLPRMESDLVQVLLDLLDDKEVDLRWKDTAAVSVVLASEGYPESYAKGTPIGSLAAETEQVVVFHAGTKAEGGEFVTNGGRVANVTAFDETFEAARDRVYKAVDEIFKPGLFFRKDIGARALKAAQK
Complex: ATP_A_8(2QK4) / Model_11(2QK4/A) = [5.5] Download1504.3021.96MNVLIIGKGGREHTLAWKAAQSSLVENVFAAPGNDGMAASAQLVNIEESDHAGLVSFAKQNQVGLTIVGPEVPLIEGLVDEFEKAGLHVFGPSKAAAIIEGSKQFAKDLMKKYDIPTAEYETFTSFDEAKAYVQEKGAPIVIKADGLAAGKGVTVAMTEEEAIACLHDFLEDEKFGDASASVVIEEYLSGEEFSLMAFVKGEKVYPMVIAQDHKRAFDGDKGPNTGGMGAYSPVPQISEETVRHAVETIVKPAAKAMVQEGRSFTGVLYAGLMLTENGSKVIEFNARFGDPETQVVLPRMESDLVQVLLDLLDDKEVDLRWKDTAAVSVVLASEGYPESYAKGTPIGSLAAETEQVVVFHAGTKAEGGEFVTNGGRVANVTAFDETFEAARDRVYKAVDEIFKPGLFFRKDIGARALKAAQK
Complex: ATP_A_8(2QK4) / Model_37(2QK4/A) = [5.5] Download1546.5621.96MNVLIIGKGGREHTLAWKAAQSSLVENVFAAPGNDGMAASAQLVNIEESDHAGLVSFAKQNQVGLTIVGPEVPLIEGLVDEFEKAGLHVFGPSKAAAIIEGSKQFAKDLMKKYDIPTAEYETFTSFDEAKAYVQEKGAPIVIKADGLAAGKGVTVAMTEEEAIACLHDFLEDEKFGDASASVVIEEYLSGEEFSLMAFVKGEKVYPMVIAQDHKRAFDGDKGPNTGGMGAYSPVPQISEETVRHAVETIVKPAAKAMVQEGRSFTGVLYAGLMLTENGSKVIEFNARFGDPETQVVLPRMESDLVQVLLDLLDDKEVDLRWKDTAAVSVVLASEGYPESYAKGTPIGSLAAETEQVVVFHAGTKAEGGEFVTNGGRVANVTAFDETFEAARDRVYKAVDEIFKPGLFFRKDIGARALKAAQK
Complex: ATP_B_6(2YW2) / Model_21(2YW2/B) = [6.0] Download936.2317.72MNVLIIGKGGREHTLAWKAAQSSLVENVFAAPGNDGMAASAQLVNIEESDHAGLVSFAKQNQVGLTIVGPEVPLIEGLVDEFEKAGLHVFGPSKAAAIIEGSKQFAKDLMKKYDIPTAEYETFTSFDEAKAYVQEKGAPIVIKADGLAAGKGVTVAMTEEEAIACLHDFLEDEKFGDASASVVIEEYLSGEEFSLMAFVKGEKVYPMVIAQDHKRAFDGDKGPNTGGMGAYSPVPQISEETVRHAVETIVKPAAKAMVQEGRSFTGVLYAGLMLTENGSKVIEFNARFGDPETQVVLPRMESDLVQVLLDLLDDKEVDLRWKDTAAVSVVLASEGYPESYAKGTPIGSLAAETEQVVVFHAGTKAEGGEFVTNGGRVANVTAFDETFEAARDRVYKAVDEIFKPGLFFRKDIGARALKAAQK
Complex: ATP_A_5(2YW2) / Model_34(2YW2/A) = [6.4] Download1070.3017.72MNVLIIGKGGREHTLAWKAAQSSLVENVFAAPGNDGMAASAQLVNIEESDHAGLVSFAKQNQVGLTIVGPEVPLIEGLVDEFEKAGLHVFGPSKAAAIIEGSKQFAKDLMKKYDIPTAEYETFTSFDEAKAYVQEKGAPIVIKADGLAAGKGVTVAMTEEEAIACLHDFLEDEKFGDASASVVIEEYLSGEEFSLMAFVKGEKVYPMVIAQDHKRAFDGDKGPNTGGMGAYSPVPQISEETVRHAVETIVKPAAKAMVQEGRSFTGVLYAGLMLTENGSKVIEFNARFGDPETQVVLPRMESDLVQVLLDLLDDKEVDLRWKDTAAVSVVLASEGYPESYAKGTPIGSLAAETEQVVVFHAGTKAEGGEFVTNGGRVANVTAFDETFEAARDRVYKAVDEIFKPGLFFRKDIGARALKAAQK
Consensus
[pKd Mean = 5.38]
-1256
(s=238)
19
(s=2)
MNVLIIGKGGREHTLAWKAAQSSLVENVFAAPGNDGMAASAQLVNIEESDHAGLVSFAKQNQVGLTIVGPEVPLIEGLVDEFEKAGLHVFGPSKAAAIIEGSKQFAKDLMKKYDIPTAEYETFTSFDEAKAYVQEKGAPIVIKADGLAAGKGVTVAMTEEEAIACLHDFLEDEKFGDASASVVIEEYLSGEEFSLMAFVKGEKVYPMVIAQDHKRAFDGDKGPNTGGMGAYSPVPQISEETVRHAVETIVKPAAKAMVQEGRSFTGVLYAGLMLTENGSKVIEFNARFGDPETQVVLPRMESDLVQVLLDLLDDKEVDLRWKDTAAVSVVLASEGYPESYAKGTPIGSLAAETEQVVVFHAGTKAEGGEFVTNGGRVANVTAFDETFEAARDRVYKAVDEIFKPGLFFRKDIGARALKAAQK