Study : SA1652 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: 1CP_A_2(1R3V) / Model_19(1R3V/A) = [7.6] Download861.2826.94MVHNKNNTILKMIKGEETSHTPVWFMRQAGRSQPEYRKLKEKYSLFDITHQPELCAYVTHLPVDNYHTDAAILYKDIMTPLKPIGVDVEIKSGIGPVIHNPIKTIQDVEKLSQIDPERDVPYVLDTIKLLTEEKLNVPLIGFTGAPFTLASYMIEGGPSKNYNFTKAMMYRDEATWFALMNHLVDVSVKYVTAQVEAGAELIQIFDSWVGALNVEDYRRYIKPHMIRLISEVKEKHDVPVILFGVGASHLINEWNDLPIDVLGLDWRTSINQAQQLGVTKTLQGNLDPSILLAPWNVIEERLKPILDQGMENGKHIFNLGHGVFPEVQPETLRKVSEFVHTYTQR
Complex: CP3_A_2(1R3T) / Model_23(1R3T/A) = [8.4] Download817.2733.97MVHNKNNTILKMIKGEETSHTPVWFMRQAGRSQPEYRKLKEKYSLFDITHQPELCAYVTHLPVDNYHTDAAILYKDIMTPLKPIGVDVEIKSGIGPVIHNPIKTIQDVEKLSQIDPERDVPYVLDTIKLLTEEKLNVPLIGFTGAPFTLASYMIEGGPSKNYNFTKAMMYRDEATWFALMNHLVDVSVKYVTAQVEAGAELIQIFDSWVGALNVEDYRRYIKPHMIRLISEVKEKHDVPVILFGVGASHLINEWNDLPIDVLGLDWRTSINQAQQLGVTKTLQGNLDPSILLAPWNVIEERLKPILDQGMENGKHIFNLGHGVFPEVQPETLRKVSEFVHTYTQR
Complex: 1CP_A_2(1R3Q) / Model_10(1R3Q/A) = [9.9] Download673.6631.24MVHNKNNTILKMIKGEETSHTPVWFMRQAGRSQPEYRKLKEKYSLFDITHQPELCAYVTHLPVDNYHTDAAILYKDIMTPLKPIGVDVEIKSGIGPVIHNPIKTIQDVEKLSQIDPERDVPYVLDTIKLLTEEKLNVPLIGFTGAPFTLASYMIEGGPSKNYNFTKAMMYRDEATWFALMNHLVDVSVKYVTAQVEAGAELIQIFDSWVGALNVEDYRRYIKPHMIRLISEVKEKHDVPVILFGVGASHLINEWNDLPIDVLGLDWRTSINQAQQLGVTKTLQGNLDPSILLAPWNVIEERLKPILDQGMENGKHIFNLGHGVFPEVQPETLRKVSEFVHTYTQR
Complex: CP3_A_2(1R3W) / Model_16(1R3W/A) = [10.2] Download662.7532.08MVHNKNNTILKMIKGEETSHTPVWFMRQAGRSQPEYRKLKEKYSLFDITHQPELCAYVTHLPVDNYHTDAAILYKDIMTPLKPIGVDVEIKSGIGPVIHNPIKTIQDVEKLSQIDPERDVPYVLDTIKLLTEEKLNVPLIGFTGAPFTLASYMIEGGPSKNYNFTKAMMYRDEATWFALMNHLVDVSVKYVTAQVEAGAELIQIFDSWVGALNVEDYRRYIKPHMIRLISEVKEKHDVPVILFGVGASHLINEWNDLPIDVLGLDWRTSINQAQQLGVTKTLQGNLDPSILLAPWNVIEERLKPILDQGMENGKHIFNLGHGVFPEVQPETLRKVSEFVHTYTQR
Complex: CP3_A_2(1R3Y) / Model_11(1R3Y/A) = [10.4] Download529.2331.52MVHNKNNTILKMIKGEETSHTPVWFMRQAGRSQPEYRKLKEKYSLFDITHQPELCAYVTHLPVDNYHTDAAILYKDIMTPLKPIGVDVEIKSGIGPVIHNPIKTIQDVEKLSQIDPERDVPYVLDTIKLLTEEKLNVPLIGFTGAPFTLASYMIEGGPSKNYNFTKAMMYRDEATWFALMNHLVDVSVKYVTAQVEAGAELIQIFDSWVGALNVEDYRRYIKPHMIRLISEVKEKHDVPVILFGVGASHLINEWNDLPIDVLGLDWRTSINQAQQLGVTKTLQGNLDPSILLAPWNVIEERLKPILDQGMENGKHIFNLGHGVFPEVQPETLRKVSEFVHTYTQR
Consensus
[pKd Mean = 9.30]
-708
(s=118)
31
(s=2)
MVHNKNNTILKMIKGEETSHTPVWFMRQAGRSQPEYRKLKEKYSLFDITHQPELCAYVTHLPVDNYHTDAAILYKDIMTPLKPIGVDVEIKSGIGPVIHNPIKTIQDVEKLSQIDPERDVPYVLDTIKLLTEEKLNVPLIGFTGAPFTLASYMIEGGPSKNYNFTKAMMYRDEATWFALMNHLVDVSVKYVTAQVEAGAELIQIFDSWVGALNVEDYRRYIKPHMIRLISEVKEKHDVPVILFGVGASHLINEWNDLPIDVLGLDWRTSINQAQQLGVTKTLQGNLDPSILLAPWNVIEERLKPILDQGMENGKHIFNLGHGVFPEVQPETLRKVSEFVHTYTQR