Study : jhp_0532 (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: NACID_C_2(1ORP) / Model_2(1ORP/A) = [8.8] Download--MSLKRAKTKAQQIKELLLKHYPNQTTELRHKNPYELLVATILSAQCTDARVNQITPKLFEKYPSVNDLALASLEEVKEIIQSVSYSNNKSKHLISMGAKVVKDFKGVIPSTQKELMSLDGVGQKTANVVLSVCFDANYIAVDTHVFRTTHRLGLSNANTPIKTEEELSDLFKDNLSKLHHALILFGRYTCKAKNPLCDACFLKEFCVSKASFKA
Complex: NACID_C_2(1P59) / Model_3(1P59/A) = [9.8] Download--MSLKRAKTKAQQIKELLLKHYPNQTTELRHKNPYELLVATILSAQCTDARVNQITPKLFEKYPSVNDLALASLEEVKEIIQSVSYSNNKSKHLISMGAKVVKDFKGVIPSTQKELMSLDGVGQKTANVVLSVCFDANYIAVDTHVFRTTHRLGLSNANTPIKTEEELSDLFKDNLSKLHHALILFGRYTCKAKNPLCDACFLKEFCVSKASFKA
Complex: NACID_C_2(1ORN) / Model_22(1ORN/A) = [10.1] Download--MSLKRAKTKAQQIKELLLKHYPNQTTELRHKNPYELLVATILSAQCTDARVNQITPKLFEKYPSVNDLALASLEEVKEIIQSVSYSNNKSKHLISMGAKVVKDFKGVIPSTQKELMSLDGVGQKTANVVLSVCFDANYIAVDTHVFRTTHRLGLSNANTPIKTEEELSDLFKDNLSKLHHALILFGRYTCKAKNPLCDACFLKEFCVSKASFKA
Complex: NACID_C_2(1ORN) / Model_1(1ORN/A) = [10.2] Download--MSLKRAKTKAQQIKELLLKHYPNQTTELRHKNPYELLVATILSAQCTDARVNQITPKLFEKYPSVNDLALASLEEVKEIIQSVSYSNNKSKHLISMGAKVVKDFKGVIPSTQKELMSLDGVGQKTANVVLSVCFDANYIAVDTHVFRTTHRLGLSNANTPIKTEEELSDLFKDNLSKLHHALILFGRYTCKAKNPLCDACFLKEFCVSKASFKA
Consensus
[pKd Mean = 9.73]
-0
(s=0)
0
(s=0)
MSLKRAKTKAQQIKELLLKHYPNQTTELRHKNPYELLVATILSAQCTDARVNQITPKLFEKYPSVNDLALASLEEVKEIIQSVSYSNNKSKHLISMGAKVVKDFKGVIPSTQKELMSLDGVGQKTANVVLSVCFDANYIAVDTHVFRTTHRLGLSNANTPIKTEEELSDLFKDNLSKLHHALILFGRYTCKAKNPLCDACFLKEFCVSKASFKA