Study : Lmo1322 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: NACID_D_2(2ATW) / Model_20(2ATW/C) = [19.5] Download--MSTELLDALHVLEHDKGISREVLVEAIEAALTSAYKRNFKDAQNVRVDLNMENGSIRVLARKEAVEQVFDSRLEISMEEAHKLNPVYQPGDVVELEVTPKDFGRIAAQTAKQVVTQRVREAERGIIYDEFIDREDDIMTGIVERQDSRFIYVNLGKIEAILSQNEQMPNETYHAHDRIKVYLTKVEKTTKGPQIFVSRTHPGLLKRLFEMEVPEIYDGVVEIKSVAREAGDRSKISVYTANEEVDPVGACVGPKGARVQTIVNELKGEKIDIVEWSEDPFTFVANALSPSKVLDVIVNEADQATTVIVPDYQLSLAIGKRGQNARLAAKLTGWKIDIKSETVATELGIYPRNGVEAPEVEEAESETFTEDEE
Complex: NACID_B_1(2ASB) / Model_23(2ASB/A) = [19.8] Download--MSTELLDALHVLEHDKGISREVLVEAIEAALTSAYKRNFKDAQNVRVDLNMENGSIRVLARKEAVEQVFDSRLEISMEEAHKLNPVYQPGDVVELEVTPKDFGRIAAQTAKQVVTQRVREAERGIIYDEFIDREDDIMTGIVERQDSRFIYVNLGKIEAILSQNEQMPNETYHAHDRIKVYLTKVEKTTKGPQIFVSRTHPGLLKRLFEMEVPEIYDGVVEIKSVAREAGDRSKISVYTANEEVDPVGACVGPKGARVQTIVNELKGEKIDIVEWSEDPFTFVANALSPSKVLDVIVNEADQATTVIVPDYQLSLAIGKRGQNARLAAKLTGWKIDIKSETVATELGIYPRNGVEAPEVEEAESETFTEDEE
Complex: NACID_B_1(2ASB) / Model_4(2ASB/A) = [19.8] Download--MSTELLDALHVLEHDKGISREVLVEAIEAALTSAYKRNFKDAQNVRVDLNMENGSIRVLARKEAVEQVFDSRLEISMEEAHKLNPVYQPGDVVELEVTPKDFGRIAAQTAKQVVTQRVREAERGIIYDEFIDREDDIMTGIVERQDSRFIYVNLGKIEAILSQNEQMPNETYHAHDRIKVYLTKVEKTTKGPQIFVSRTHPGLLKRLFEMEVPEIYDGVVEIKSVAREAGDRSKISVYTANEEVDPVGACVGPKGARVQTIVNELKGEKIDIVEWSEDPFTFVANALSPSKVLDVIVNEADQATTVIVPDYQLSLAIGKRGQNARLAAKLTGWKIDIKSETVATELGIYPRNGVEAPEVEEAESETFTEDEE
Complex: NACID_B_1(2ATW) / Model_5(2ATW/A) = [20.1] Download--MSTELLDALHVLEHDKGISREVLVEAIEAALTSAYKRNFKDAQNVRVDLNMENGSIRVLARKEAVEQVFDSRLEISMEEAHKLNPVYQPGDVVELEVTPKDFGRIAAQTAKQVVTQRVREAERGIIYDEFIDREDDIMTGIVERQDSRFIYVNLGKIEAILSQNEQMPNETYHAHDRIKVYLTKVEKTTKGPQIFVSRTHPGLLKRLFEMEVPEIYDGVVEIKSVAREAGDRSKISVYTANEEVDPVGACVGPKGARVQTIVNELKGEKIDIVEWSEDPFTFVANALSPSKVLDVIVNEADQATTVIVPDYQLSLAIGKRGQNARLAAKLTGWKIDIKSETVATELGIYPRNGVEAPEVEEAESETFTEDEE
Consensus
[pKd Mean = 19.80]
-0
(s=0)
0
(s=0)
MSTELLDALHVLEHDKGISREVLVEAIEAALTSAYKRNFKDAQNVRVDLNMENGSIRVLARKEAVEQVFDSRLEISMEEAHKLNPVYQPGDVVELEVTPKDFGRIAAQTAKQVVTQRVREAERGIIYDEFIDREDDIMTGIVERQDSRFIYVNLGKIEAILSQNEQMPNETYHAHDRIKVYLTKVEKTTKGPQIFVSRTHPGLLKRLFEMEVPEIYDGVVEIKSVAREAGDRSKISVYTANEEVDPVGACVGPKGARVQTIVNELKGEKIDIVEWSEDPFTFVANALSPSKVLDVIVNEADQATTVIVPDYQLSLAIGKRGQNARLAAKLTGWKIDIKSETVATELGIYPRNGVEAPEVEEAESETFTEDEE