Study : jhp_1490 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: EOH_A_5(1YXO) / Model_6(1YXO/A) = [3.4] Download90.5726.10MAKKKIAISCGDIQGVGLELILKSHKEVSALCEPLYLVHSELLERANQLLDNAYETKTLNAIAIDAPLPLLNSSTIGKVSTQSGAYSFESFKKACELADSKEVDGICTLPINKLAWQQAQIPFVGHTDFLKQRYKDHQIIMMLGCSKLFVGLFSDHVPLSAVSQLIQVKALVKFLLAFQKSTQAKIVQVCGFNPHAGEEGLFGEEDEKILKAIQESNQTLGFECFLGPLPADSAFAPNKRKITPFYVSMSHDVGLAPLKALYFDESINVSLNAPILRASTDHGTAFDIAYQNKANHKSYLNAIKYLA
Complex: EOH_A_10(1YXO) / Model_6(1YXO/A) = [3.4] Download381.62-7.17MAKKKIAISCGDIQGVGLELILKSHKEVSALCEPLYLVHSELLERANQLLDNAYETKTLNAIAIDAPLPLLNSSTIGKVSTQSGAYSFESFKKACELADSKEVDGICTLPINKLAWQQAQIPFVGHTDFLKQRYKDHQIIMMLGCSKLFVGLFSDHVPLSAVSQLIQVKALVKFLLAFQKSTQAKIVQVCGFNPHAGEEGLFGEEDEKILKAIQESNQTLGFECFLGPLPADSAFAPNKRKITPFYVSMSHDVGLAPLKALYFDESINVSLNAPILRASTDHGTAFDIAYQNKANHKSYLNAIKYLA
Complex: 4TP_A_5(1PS6) / Model_3(1PS6/A) = [3.4] Download689.2512.20MAKKKIAISCGDIQGVGLELILKSHKEVSALCEPLYLVHSELLERANQLLDNAYETKTLNAIAIDAPLPLLNSSTIGKVSTQSGAYSFESFKKACELADSKEVDGICTLPINKLAWQQAQIPFVGHTDFLKQRYKDHQIIMMLGCSKLFVGLFSDHVPLSAVSQLIQVKALVKFLLAFQKSTQAKIVQVCGFNPHAGEEGLFGEEDEKILKAIQESNQTLGFECFLGPLPADSAFAPNKRKITPFYVSMSHDVGLAPLKALYFDESINVSLNAPILRASTDHGTAFDIAYQNKANHKSYLNAIKYLA
Complex: EOH_A_5(1YXO) / Model_28(1YXO/A) = [3.4] Download216.2626.10MAKKKIAISCGDIQGVGLELILKSHKEVSALCEPLYLVHSELLERANQLLDNAYETKTLNAIAIDAPLPLLNSSTIGKVSTQSGAYSFESFKKACELADSKEVDGICTLPINKLAWQQAQIPFVGHTDFLKQRYKDHQIIMMLGCSKLFVGLFSDHVPLSAVSQLIQVKALVKFLLAFQKSTQAKIVQVCGFNPHAGEEGLFGEEDEKILKAIQESNQTLGFECFLGPLPADSAFAPNKRKITPFYVSMSHDVGLAPLKALYFDESINVSLNAPILRASTDHGTAFDIAYQNKANHKSYLNAIKYLA
Consensus
[pKd Mean = 3.40]
-344
(s=224)
14
(s=13)
MAKKKIAISCGDIQGVGLELILKSHKEVSALCEPLYLVHSELLERANQLLDNAYETKTLNAIAIDAPLPLLNSSTIGKVSTQSGAYSFESFKKACELADSKEVDGICTLPINKLAWQQAQIPFVGHTDFLKQRYKDHQIIMMLGCSKLFVGLFSDHVPLSAVSQLIQVKALVKFLLAFQKSTQAKIVQVCGFNPHAGEEGLFGEEDEKILKAIQESNQTLGFECFLGPLPADSAFAPNKRKITPFYVSMSHDVGLAPLKALYFDESINVSLNAPILRASTDHGTAFDIAYQNKANHKSYLNAIKYLA