Study : A3DED6_CLOTH (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: ACY_A_10(4WH3) / Model_28(4WH3/A) = [3.3] Download632.527.90MPINHEPLFDVLSQYDIKVVSIRNESYKDKKGVWWIQTPDEYKILKKISNSEDTFKYILSAAEHLRKNGVNIPAVYKTKDGKDYVNINGTCYVLYEAVEGKNPSYNSPEDFRAIVRELAGFHAASVGFSPPDNTKPKIHLGKWVEQYTEQVEDMNRFYQTELEKSENDRIGKVIIEEFPAFYERAKQAIEGLKGKEYQDWVEKVKSRGGLCHQDFAAGNLLKNPSGKIFVLDTDSITIDIPARDIRKLLNKIMKKNGKWDLEILRKFIRIYQSENPLSFSEWTVVKFDLMFPHLFLGAMNKFYYKRDKEWSFEKYLKRINEMTALEKTITPVLENFDSIVYEEINQRKD
Complex: ADN_A_5(2Q83) / Model_1(2Q83/A) = [3.4] Download957.3524.45MPINHEPLFDVLSQYDIKVVSIRNESYKDKKGVWWIQTPDEYKILKKISNSEDTFKYILSAAEHLRKNGVNIPAVYKTKDGKDYVNINGTCYVLYEAVEGKNPSYNSPEDFRAIVRELAGFHAASVGFSPPDNTKPKIHLGKWVEQYTEQVEDMNRFYQTELEKSENDRIGKVIIEEFPAFYERAKQAIEGLKGKEYQDWVEKVKSRGGLCHQDFAAGNLLKNPSGKIFVLDTDSITIDIPARDIRKLLNKIMKKNGKWDLEILRKFIRIYQSENPLSFSEWTVVKFDLMFPHLFLGAMNKFYYKRDKEWSFEKYLKRINEMTALEKTITPVLENFDSIVYEEINQRKD
Complex: ADN_A_5(2Q83) / Model_24(2Q83/A) = [3.4] Download928.4024.45MPINHEPLFDVLSQYDIKVVSIRNESYKDKKGVWWIQTPDEYKILKKISNSEDTFKYILSAAEHLRKNGVNIPAVYKTKDGKDYVNINGTCYVLYEAVEGKNPSYNSPEDFRAIVRELAGFHAASVGFSPPDNTKPKIHLGKWVEQYTEQVEDMNRFYQTELEKSENDRIGKVIIEEFPAFYERAKQAIEGLKGKEYQDWVEKVKSRGGLCHQDFAAGNLLKNPSGKIFVLDTDSITIDIPARDIRKLLNKIMKKNGKWDLEILRKFIRIYQSENPLSFSEWTVVKFDLMFPHLFLGAMNKFYYKRDKEWSFEKYLKRINEMTALEKTITPVLENFDSIVYEEINQRKD
Complex: BEZ_A_2(6EF6) / Model_27(6EF6/A) = [3.7] Download283.7819.40MPINHEPLFDVLSQYDIKVVSIRNESYKDKKGVWWIQTPDEYKILKKISNSEDTFKYILSAAEHLRKNGVNIPAVYKTKDGKDYVNINGTCYVLYEAVEGKNPSYNSPEDFRAIVRELAGFHAASVGFSPPDNTKPKIHLGKWVEQYTEQVEDMNRFYQTELEKSENDRIGKVIIEEFPAFYERAKQAIEGLKGKEYQDWVEKVKSRGGLCHQDFAAGNLLKNPSGKIFVLDTDSITIDIPARDIRKLLNKIMKKNGKWDLEILRKFIRIYQSENPLSFSEWTVVKFDLMFPHLFLGAMNKFYYKRDKEWSFEKYLKRINEMTALEKTITPVLENFDSIVYEEINQRKD
Complex: ANP_A_3(4OCV) / Model_58(4OCV/A) = [3.8] Download1141.4318.47MPINHEPLFDVLSQYDIKVVSIRNESYKDKKGVWWIQTPDEYKILKKISNSEDTFKYILSAAEHLRKNGVNIPAVYKTKDGKDYVNINGTCYVLYEAVEGKNPSYNSPEDFRAIVRELAGFHAASVGFSPPDNTKPKIHLGKWVEQYTEQVEDMNRFYQTELEKSENDRIGKVIIEEFPAFYERAKQAIEGLKGKEYQDWVEKVKSRGGLCHQDFAAGNLLKNPSGKIFVLDTDSITIDIPARDIRKLLNKIMKKNGKWDLEILRKFIRIYQSENPLSFSEWTVVKFDLMFPHLFLGAMNKFYYKRDKEWSFEKYLKRINEMTALEKTITPVLENFDSIVYEEINQRKD
Consensus
[pKd Mean = 3.52]
-788
(s=300)
18
(s=6)
MPINHEPLFDVLSQYDIKVVSIRNESYKDKKGVWWIQTPDEYKILKKISNSEDTFKYILSAAEHLRKNGVNIPAVYKTKDGKDYVNINGTCYVLYEAVEGKNPSYNSPEDFRAIVRELAGFHAASVGFSPPDNTKPKIHLGKWVEQYTEQVEDMNRFYQTELEKSENDRIGKVIIEEFPAFYERAKQAIEGLKGKEYQDWVEKVKSRGGLCHQDFAAGNLLKNPSGKIFVLDTDSITIDIPARDIRKLLNKIMKKNGKWDLEILRKFIRIYQSENPLSFSEWTVVKFDLMFPHLFLGAMNKFYYKRDKEWSFEKYLKRINEMTALEKTITPVLENFDSIVYEEINQRKD