Study : Rv1272c (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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: ANP_A_2(4AYW) / Model_20(4AYW/A) = [5.2] Download1532.9720.60MTAPPGARPRAASPPPNMRSRDFWGSAARLVKRLAPQRRLSIAVITLGIAGTTIGVIVPRILGHATDLLFNGVIGRGLPGGITKAQAVASARARGDNTFADLLSGMNVVPGQGVDFAAVERTLALALALYLAAALMIWAQARLLNLTVQKTMVRLRTDVEDKVHRLPLSYFDGQQRGELLSRVTNDIDNLQSSLSMTISQLVTSILTMVAVLAMMVSISGLLALITLLTVPLSLLVTRAITRRSQPLFVAHWTSTGRLNAHLEETYSGFTVVKTFGHQAAARERFHELNDDVYQAGFGAQFLSGLVQPATAFIGNLGYVAVAVAGGLQVATGQITLGSIQAFIQYIRQFNMPLSQLAGMYNALQSGVASAERVFDVLDEPEESPEPEPELPNLTGRVEFEHVNFAYLPGTPVIRDLSLVAEPGSTVAIVGPTGAGKTTLVNLLMRFYEIGSGRILIDGVDIASVSRQSLRSRIGMVLQDTWLYDGTIAENIAYGRPEATTDEIVEAARAAHVDRFVNTLPAGYQTRVSGDGGSISVGEKQLITIARAFLARPQLLILDEATSSVDTRTELLIQRAMRELRRDRTSFIIAHRLSTIRDADHILVVQTGQIVERGNHAELLARRGVYYQMTRA
Complex: ACP_A_4(4AYX) / Model_18(4AYX/A) = [5.4] Download1331.7023.62MTAPPGARPRAASPPPNMRSRDFWGSAARLVKRLAPQRRLSIAVITLGIAGTTIGVIVPRILGHATDLLFNGVIGRGLPGGITKAQAVASARARGDNTFADLLSGMNVVPGQGVDFAAVERTLALALALYLAAALMIWAQARLLNLTVQKTMVRLRTDVEDKVHRLPLSYFDGQQRGELLSRVTNDIDNLQSSLSMTISQLVTSILTMVAVLAMMVSISGLLALITLLTVPLSLLVTRAITRRSQPLFVAHWTSTGRLNAHLEETYSGFTVVKTFGHQAAARERFHELNDDVYQAGFGAQFLSGLVQPATAFIGNLGYVAVAVAGGLQVATGQITLGSIQAFIQYIRQFNMPLSQLAGMYNALQSGVASAERVFDVLDEPEESPEPEPELPNLTGRVEFEHVNFAYLPGTPVIRDLSLVAEPGSTVAIVGPTGAGKTTLVNLLMRFYEIGSGRILIDGVDIASVSRQSLRSRIGMVLQDTWLYDGTIAENIAYGRPEATTDEIVEAARAAHVDRFVNTLPAGYQTRVSGDGGSISVGEKQLITIARAFLARPQLLILDEATSSVDTRTELLIQRAMRELRRDRTSFIIAHRLSTIRDADHILVVQTGQIVERGNHAELLARRGVYYQMTRA
Complex: AGS_A_3(4S0F) / Model_16(4S0F/A) = [5.6] Download1052.8125.48MTAPPGARPRAASPPPNMRSRDFWGSAARLVKRLAPQRRLSIAVITLGIAGTTIGVIVPRILGHATDLLFNGVIGRGLPGGITKAQAVASARARGDNTFADLLSGMNVVPGQGVDFAAVERTLALALALYLAAALMIWAQARLLNLTVQKTMVRLRTDVEDKVHRLPLSYFDGQQRGELLSRVTNDIDNLQSSLSMTISQLVTSILTMVAVLAMMVSISGLLALITLLTVPLSLLVTRAITRRSQPLFVAHWTSTGRLNAHLEETYSGFTVVKTFGHQAAARERFHELNDDVYQAGFGAQFLSGLVQPATAFIGNLGYVAVAVAGGLQVATGQITLGSIQAFIQYIRQFNMPLSQLAGMYNALQSGVASAERVFDVLDEPEESPEPEPELPNLTGRVEFEHVNFAYLPGTPVIRDLSLVAEPGSTVAIVGPTGAGKTTLVNLLMRFYEIGSGRILIDGVDIASVSRQSLRSRIGMVLQDTWLYDGTIAENIAYGRPEATTDEIVEAARAAHVDRFVNTLPAGYQTRVSGDGGSISVGEKQLITIARAFLARPQLLILDEATSSVDTRTELLIQRAMRELRRDRTSFIIAHRLSTIRDADHILVVQTGQIVERGNHAELLARRGVYYQMTRA
Complex: ACP_A_4(4AYT) / Model_17(4AYT/A) = [6.1] Download1453.2122.76MTAPPGARPRAASPPPNMRSRDFWGSAARLVKRLAPQRRLSIAVITLGIAGTTIGVIVPRILGHATDLLFNGVIGRGLPGGITKAQAVASARARGDNTFADLLSGMNVVPGQGVDFAAVERTLALALALYLAAALMIWAQARLLNLTVQKTMVRLRTDVEDKVHRLPLSYFDGQQRGELLSRVTNDIDNLQSSLSMTISQLVTSILTMVAVLAMMVSISGLLALITLLTVPLSLLVTRAITRRSQPLFVAHWTSTGRLNAHLEETYSGFTVVKTFGHQAAARERFHELNDDVYQAGFGAQFLSGLVQPATAFIGNLGYVAVAVAGGLQVATGQITLGSIQAFIQYIRQFNMPLSQLAGMYNALQSGVASAERVFDVLDEPEESPEPEPELPNLTGRVEFEHVNFAYLPGTPVIRDLSLVAEPGSTVAIVGPTGAGKTTLVNLLMRFYEIGSGRILIDGVDIASVSRQSLRSRIGMVLQDTWLYDGTIAENIAYGRPEATTDEIVEAARAAHVDRFVNTLPAGYQTRVSGDGGSISVGEKQLITIARAFLARPQLLILDEATSSVDTRTELLIQRAMRELRRDRTSFIIAHRLSTIRDADHILVVQTGQIVERGNHAELLARRGVYYQMTRA
Complex: ADP_A_3(1JJ7) / Model_90(1JJ7/A) = [6.3] Download956.4124.06MTAPPGARPRAASPPPNMRSRDFWGSAARLVKRLAPQRRLSIAVITLGIAGTTIGVIVPRILGHATDLLFNGVIGRGLPGGITKAQAVASARARGDNTFADLLSGMNVVPGQGVDFAAVERTLALALALYLAAALMIWAQARLLNLTVQKTMVRLRTDVEDKVHRLPLSYFDGQQRGELLSRVTNDIDNLQSSLSMTISQLVTSILTMVAVLAMMVSISGLLALITLLTVPLSLLVTRAITRRSQPLFVAHWTSTGRLNAHLEETYSGFTVVKTFGHQAAARERFHELNDDVYQAGFGAQFLSGLVQPATAFIGNLGYVAVAVAGGLQVATGQITLGSIQAFIQYIRQFNMPLSQLAGMYNALQSGVASAERVFDVLDEPEESPEPEPELPNLTGRVEFEHVNFAYLPGTPVIRDLSLVAEPGSTVAIVGPTGAGKTTLVNLLMRFYEIGSGRILIDGVDIASVSRQSLRSRIGMVLQDTWLYDGTIAENIAYGRPEATTDEIVEAARAAHVDRFVNTLPAGYQTRVSGDGGSISVGEKQLITIARAFLARPQLLILDEATSSVDTRTELLIQRAMRELRRDRTSFIIAHRLSTIRDADHILVVQTGQIVERGNHAELLARRGVYYQMTRA
Consensus
[pKd Mean = 5.72]
-1265
(s=224)
23
(s=1)
MTAPPGARPRAASPPPNMRSRDFWGSAARLVKRLAPQRRLSIAVITLGIAGTTIGVIVPRILGHATDLLFNGVIGRGLPGGITKAQAVASARARGDNTFADLLSGMNVVPGQGVDFAAVERTLALALALYLAAALMIWAQARLLNLTVQKTMVRLRTDVEDKVHRLPLSYFDGQQRGELLSRVTNDIDNLQSSLSMTISQLVTSILTMVAVLAMMVSISGLLALITLLTVPLSLLVTRAITRRSQPLFVAHWTSTGRLNAHLEETYSGFTVVKTFGHQAAARERFHELNDDVYQAGFGAQFLSGLVQPATAFIGNLGYVAVAVAGGLQVATGQITLGSIQAFIQYIRQFNMPLSQLAGMYNALQSGVASAERVFDVLDEPEESPEPEPELPNLTGRVEFEHVNFAYLPGTPVIRDLSLVAEPGSTVAIVGPTGAGKTTLVNLLMRFYEIGSGRILIDGVDIASVSRQSLRSRIGMVLQDTWLYDGTIAENIAYGRPEATTDEIVEAARAAHVDRFVNTLPAGYQTRVSGDGGSISVGEKQLITIARAFLARPQLLILDEATSSVDTRTELLIQRAMRELRRDRTSFIIAHRLSTIRDADHILVVQTGQIVERGNHAELLARRGVYYQMTRA