Study : A6T7G5_KLEP7_ (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: EDO_A_10(5FTG) / Model_36(5FTG/A) = [3.1] Download631.4410.92MLFSNNKLTRDELLSRFFPHYHPVASLSQSGLSGGSVIISDGDRRHVLRQPHDPSAATYHFRRQYHALRRLPARLAPTPLFYSPCWLVVEYCAGEVKSELPASPQLSGLLYDLHQQPRFGWRVSLTPLLAQYWQRCDPARRKPRWLRWHQRLRRQGEPRPLRLAPLHMDVHAGNIIHNESGLRLIDWEYAGDGDIALELAAVWITPGERRRLVEAYARRAAIDAQQLWRQVARWRPWVLLLMAGWYEMRWRQSGDRQFITLADEIWCQLDNERKG
Complex: GMP_A_2(5IGI) / Model_46(5IGI/A) = [3.8] Download1026.3112.89MLFSNNKLTRDELLSRFFPHYHPVASLSQSGLSGGSVIISDGDRRHVLRQPHDPSAATYHFRRQYHALRRLPARLAPTPLFYSPCWLVVEYCAGEVKSELPASPQLSGLLYDLHQQPRFGWRVSLTPLLAQYWQRCDPARRKPRWLRWHQRLRRQGEPRPLRLAPLHMDVHAGNIIHNESGLRLIDWEYAGDGDIALELAAVWITPGERRRLVEAYARRAAIDAQQLWRQVARWRPWVLLLMAGWYEMRWRQSGDRQFITLADEIWCQLDNERKG
Complex: PQ7_A_11(5FUT) / Model_35(5FUT/A) = [5.1] Download2249.7627.57MLFSNNKLTRDELLSRFFPHYHPVASLSQSGLSGGSVIISDGDRRHVLRQPHDPSAATYHFRRQYHALRRLPARLAPTPLFYSPCWLVVEYCAGEVKSELPASPQLSGLLYDLHQQPRFGWRVSLTPLLAQYWQRCDPARRKPRWLRWHQRLRRQGEPRPLRLAPLHMDVHAGNIIHNESGLRLIDWEYAGDGDIALELAAVWITPGERRRLVEAYARRAAIDAQQLWRQVARWRPWVLLLMAGWYEMRWRQSGDRQFITLADEIWCQLDNERKG
Consensus
[pKd Mean = 4.00]
-1302
(s=688)
17
(s=7)
MLFSNNKLTRDELLSRFFPHYHPVASLSQSGLSGGSVIISDGDRRHVLRQPHDPSAATYHFRRQYHALRRLPARLAPTPLFYSPCWLVVEYCAGEVKSELPASPQLSGLLYDLHQQPRFGWRVSLTPLLAQYWQRCDPARRKPRWLRWHQRLRRQGEPRPLRLAPLHMDVHAGNIIHNESGLRLIDWEYAGDGDIALELAAVWITPGERRRLVEAYARRAAIDAQQLWRQVARWRPWVLLLMAGWYEMRWRQSGDRQFITLADEIWCQLDNERKG