Study : jhp_0895 (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: G3P_B_6(1Z82) / Model_1(1Z82/A) = [4.9] Download384.7419.59MEIAVFGGGAWGRALAFAFGEKNEVKIISRRDLNEPLKKLNDALISKGSAPIEQVDLERGLKAALYVIAISVQHLREWFQNASLPKNAKVLIASKGIEVLNKAFVSEIAKDFIDPNALCFLAGPSFAAEIIQGLPCALVIHSNNQALALEFANKTPSFIRAYAQQDIIGGEIAGAYKNVIAIAGGVCDGLKLGNSAKASLLSRGLVEMQRFGAFFGGKTETFLGLSGAGDLFLTANSILSRNYRVGLGLAQNKPLEVVLEELGEVAEGVKTTNAIVEIARKYGIYTPIASELALLLKGKSVLESMNDLIRRA
Complex: NAD_C_3(1EVZ) / Model_3(1EVZ/A) = [6.8] Download2359.7118.69MEIAVFGGGAWGRALAFAFGEKNEVKIISRRDLNEPLKKLNDALISKGSAPIEQVDLERGLKAALYVIAISVQHLREWFQNASLPKNAKVLIASKGIEVLNKAFVSEIAKDFIDPNALCFLAGPSFAAEIIQGLPCALVIHSNNQALALEFANKTPSFIRAYAQQDIIGGEIAGAYKNVIAIAGGVCDGLKLGNSAKASLLSRGLVEMQRFGAFFGGKTETFLGLSGAGDLFLTANSILSRNYRVGLGLAQNKPLEVVLEELGEVAEGVKTTNAIVEIARKYGIYTPIASELALLLKGKSVLESMNDLIRRA
Complex: NDP_A_3(1Z82) / Model_1(1Z82/A) = [11.8] Download1659.2513.58MEIAVFGGGAWGRALAFAFGEKNEVKIISRRDLNEPLKKLNDALISKGSAPIEQVDLERGLKAALYVIAISVQHLREWFQNASLPKNAKVLIASKGIEVLNKAFVSEIAKDFIDPNALCFLAGPSFAAEIIQGLPCALVIHSNNQALALEFANKTPSFIRAYAQQDIIGGEIAGAYKNVIAIAGGVCDGLKLGNSAKASLLSRGLVEMQRFGAFFGGKTETFLGLSGAGDLFLTANSILSRNYRVGLGLAQNKPLEVVLEELGEVAEGVKTTNAIVEIARKYGIYTPIASELALLLKGKSVLESMNDLIRRA
Complex: NDP_A_3(1Z82) / Model_28(1Z82/A) = [11.9] Download1623.506.72MEIAVFGGGAWGRALAFAFGEKNEVKIISRRDLNEPLKKLNDALISKGSAPIEQVDLERGLKAALYVIAISVQHLREWFQNASLPKNAKVLIASKGIEVLNKAFVSEIAKDFIDPNALCFLAGPSFAAEIIQGLPCALVIHSNNQALALEFANKTPSFIRAYAQQDIIGGEIAGAYKNVIAIAGGVCDGLKLGNSAKASLLSRGLVEMQRFGAFFGGKTETFLGLSGAGDLFLTANSILSRNYRVGLGLAQNKPLEVVLEELGEVAEGVKTTNAIVEIARKYGIYTPIASELALLLKGKSVLESMNDLIRRA
Complex: NDE_C_3(1N1E) / Model_7(1N1E/A) = [12.0] Download1885.2412.13MEIAVFGGGAWGRALAFAFGEKNEVKIISRRDLNEPLKKLNDALISKGSAPIEQVDLERGLKAALYVIAISVQHLREWFQNASLPKNAKVLIASKGIEVLNKAFVSEIAKDFIDPNALCFLAGPSFAAEIIQGLPCALVIHSNNQALALEFANKTPSFIRAYAQQDIIGGEIAGAYKNVIAIAGGVCDGLKLGNSAKASLLSRGLVEMQRFGAFFGGKTETFLGLSGAGDLFLTANSILSRNYRVGLGLAQNKPLEVVLEELGEVAEGVKTTNAIVEIARKYGIYTPIASELALLLKGKSVLESMNDLIRRA
Consensus
[pKd Mean = 9.48]
-1582
(s=653)
14
(s=4)
MEIAVFGGGAWGRALAFAFGEKNEVKIISRRDLNEPLKKLNDALISKGSAPIEQVDLERGLKAALYVIAISVQHLREWFQNASLPKNAKVLIASKGIEVLNKAFVSEIAKDFIDPNALCFLAGPSFAAEIIQGLPCALVIHSNNQALALEFANKTPSFIRAYAQQDIIGGEIAGAYKNVIAIAGGVCDGLKLGNSAKASLLSRGLVEMQRFGAFFGGKTETFLGLSGAGDLFLTANSILSRNYRVGLGLAQNKPLEVVLEELGEVAEGVKTTNAIVEIARKYGIYTPIASELALLLKGKSVLESMNDLIRRA