Study : D1YWE3_METPS (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: EDO_A_16(3CSV) / Model_68(3CSV/A) = [3.3] Download387.1612.83MHGRSRLYRYLKSGRLSAKAGFDRYPDLRVKQLGGSHNVYLVSDHRSHKKCIVKSFAGSGPKSVQHMEKEYKRLRQAGRLVDDRRWVHVARPLCKSNGEGFFAEELVSGKALGDYMRDAMANGRDSELYEKLTMLAGFLALLHKKTERPSHVKPSNIRDELKKHARQASKGGAFAPHELKRIESLVDNVTSNDLISQTRRGLVHGDANPSNFLYDKKRLNVIDMERSGYRDPVYDLGMLAGELCHYAMKYGGNEYKADPFIGHLYWTYAGNFKDQLGTFIRLTGRNPIYMANSLLRIARHPFFSPEYKRRLARKAYECLKSLKK
Complex: BEZ_A_2(6EF6) / Model_24(6EF6/A) = [3.4] Download330.9310.94MHGRSRLYRYLKSGRLSAKAGFDRYPDLRVKQLGGSHNVYLVSDHRSHKKCIVKSFAGSGPKSVQHMEKEYKRLRQAGRLVDDRRWVHVARPLCKSNGEGFFAEELVSGKALGDYMRDAMANGRDSELYEKLTMLAGFLALLHKKTERPSHVKPSNIRDELKKHARQASKGGAFAPHELKRIESLVDNVTSNDLISQTRRGLVHGDANPSNFLYDKKRLNVIDMERSGYRDPVYDLGMLAGELCHYAMKYGGNEYKADPFIGHLYWTYAGNFKDQLGTFIRLTGRNPIYMANSLLRIARHPFFSPEYKRRLARKAYECLKSLKK
Complex: ADP_A_6(2OLC) / Model_56(2OLC/A) = [3.5] Download926.0818.96MHGRSRLYRYLKSGRLSAKAGFDRYPDLRVKQLGGSHNVYLVSDHRSHKKCIVKSFAGSGPKSVQHMEKEYKRLRQAGRLVDDRRWVHVARPLCKSNGEGFFAEELVSGKALGDYMRDAMANGRDSELYEKLTMLAGFLALLHKKTERPSHVKPSNIRDELKKHARQASKGGAFAPHELKRIESLVDNVTSNDLISQTRRGLVHGDANPSNFLYDKKRLNVIDMERSGYRDPVYDLGMLAGELCHYAMKYGGNEYKADPFIGHLYWTYAGNFKDQLGTFIRLTGRNPIYMANSLLRIARHPFFSPEYKRRLARKAYECLKSLKK
Complex: AMP_A_3(4R78) / Model_29(4R78/A) = [4.9] Download974.5117.27MHGRSRLYRYLKSGRLSAKAGFDRYPDLRVKQLGGSHNVYLVSDHRSHKKCIVKSFAGSGPKSVQHMEKEYKRLRQAGRLVDDRRWVHVARPLCKSNGEGFFAEELVSGKALGDYMRDAMANGRDSELYEKLTMLAGFLALLHKKTERPSHVKPSNIRDELKKHARQASKGGAFAPHELKRIESLVDNVTSNDLISQTRRGLVHGDANPSNFLYDKKRLNVIDMERSGYRDPVYDLGMLAGELCHYAMKYGGNEYKADPFIGHLYWTYAGNFKDQLGTFIRLTGRNPIYMANSLLRIARHPFFSPEYKRRLARKAYECLKSLKK
Consensus
[pKd Mean = 3.77]
-654
(s=296)
15
(s=3)
MHGRSRLYRYLKSGRLSAKAGFDRYPDLRVKQLGGSHNVYLVSDHRSHKKCIVKSFAGSGPKSVQHMEKEYKRLRQAGRLVDDRRWVHVARPLCKSNGEGFFAEELVSGKALGDYMRDAMANGRDSELYEKLTMLAGFLALLHKKTERPSHVKPSNIRDELKKHARQASKGGAFAPHELKRIESLVDNVTSNDLISQTRRGLVHGDANPSNFLYDKKRLNVIDMERSGYRDPVYDLGMLAGELCHYAMKYGGNEYKADPFIGHLYWTYAGNFKDQLGTFIRLTGRNPIYMANSLLRIARHPFFSPEYKRRLARKAYECLKSLKK