Study : bsu18620 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: FAD_A_5(2YYM) / Model_6(2YYM/A) = [9.5] Download716.0516.46MGIINGKEFIDRLNKLENEIWYDGEKIKGNISEHPAFKGIIKTKSSLYELQTKDELIHEMTYCLPGDHNRIGLSYLQPKTKNDLKKRRTMIEHWARHTHGMMGRSPDYMNTVMMSFASSAELLKDKENCFPEHILDMYEQAAKHDLSFTHTFITPQVNRSQSYFGLSEKPISAKVIDRTEKGLMIHGARLLATQGGLTDEILVFSAPKFFFETDEAYAFSIPSNTKGVKFITRESFVLSDSSFNHPLSSRYEEMDSIVVFDHVLVPWNRVFFYDNVEAAKDFMTKSSFHAFTFHQVVIRQMIKIEFLLGVAQLLVDTINVSEYQHIQEKLSEIIVGLETIKALIDKSENDAQLDEFGYMRPCLIPLQVISTIIPKLYPRFTEIIQLIGASGMVTLPTENAFDSEIREDLDQYLQATNTNAEERVKIFRLAWDLTMSSFGTRQTHYERYFFGDPIRISSRLYTSYPKQEQLNMIKTFLHADTEH
Complex: FAD_A_5(2YYL) / Model_5(2YYL/A) = [10.3] Download629.107.04MGIINGKEFIDRLNKLENEIWYDGEKIKGNISEHPAFKGIIKTKSSLYELQTKDELIHEMTYCLPGDHNRIGLSYLQPKTKNDLKKRRTMIEHWARHTHGMMGRSPDYMNTVMMSFASSAELLKDKENCFPEHILDMYEQAAKHDLSFTHTFITPQVNRSQSYFGLSEKPISAKVIDRTEKGLMIHGARLLATQGGLTDEILVFSAPKFFFETDEAYAFSIPSNTKGVKFITRESFVLSDSSFNHPLSSRYEEMDSIVVFDHVLVPWNRVFFYDNVEAAKDFMTKSSFHAFTFHQVVIRQMIKIEFLLGVAQLLVDTINVSEYQHIQEKLSEIIVGLETIKALIDKSENDAQLDEFGYMRPCLIPLQVISTIIPKLYPRFTEIIQLIGASGMVTLPTENAFDSEIREDLDQYLQATNTNAEERVKIFRLAWDLTMSSFGTRQTHYERYFFGDPIRISSRLYTSYPKQEQLNMIKTFLHADTEH
Complex: FAD_A_6(2YYI) / Model_2(2YYI/A) = [10.9] Download836.0710.88MGIINGKEFIDRLNKLENEIWYDGEKIKGNISEHPAFKGIIKTKSSLYELQTKDELIHEMTYCLPGDHNRIGLSYLQPKTKNDLKKRRTMIEHWARHTHGMMGRSPDYMNTVMMSFASSAELLKDKENCFPEHILDMYEQAAKHDLSFTHTFITPQVNRSQSYFGLSEKPISAKVIDRTEKGLMIHGARLLATQGGLTDEILVFSAPKFFFETDEAYAFSIPSNTKGVKFITRESFVLSDSSFNHPLSSRYEEMDSIVVFDHVLVPWNRVFFYDNVEAAKDFMTKSSFHAFTFHQVVIRQMIKIEFLLGVAQLLVDTINVSEYQHIQEKLSEIIVGLETIKALIDKSENDAQLDEFGYMRPCLIPLQVISTIIPKLYPRFTEIIQLIGASGMVTLPTENAFDSEIREDLDQYLQATNTNAEERVKIFRLAWDLTMSSFGTRQTHYERYFFGDPIRISSRLYTSYPKQEQLNMIKTFLHADTEH
Complex: FAD_A_8(2YYJ) / Model_3(2YYJ/A) = [11.2] Download844.8515.56MGIINGKEFIDRLNKLENEIWYDGEKIKGNISEHPAFKGIIKTKSSLYELQTKDELIHEMTYCLPGDHNRIGLSYLQPKTKNDLKKRRTMIEHWARHTHGMMGRSPDYMNTVMMSFASSAELLKDKENCFPEHILDMYEQAAKHDLSFTHTFITPQVNRSQSYFGLSEKPISAKVIDRTEKGLMIHGARLLATQGGLTDEILVFSAPKFFFETDEAYAFSIPSNTKGVKFITRESFVLSDSSFNHPLSSRYEEMDSIVVFDHVLVPWNRVFFYDNVEAAKDFMTKSSFHAFTFHQVVIRQMIKIEFLLGVAQLLVDTINVSEYQHIQEKLSEIIVGLETIKALIDKSENDAQLDEFGYMRPCLIPLQVISTIIPKLYPRFTEIIQLIGASGMVTLPTENAFDSEIREDLDQYLQATNTNAEERVKIFRLAWDLTMSSFGTRQTHYERYFFGDPIRISSRLYTSYPKQEQLNMIKTFLHADTEH
Consensus
[pKd Mean = 10.48]
-756
(s=89)
12
(s=3)
MGIINGKEFIDRLNKLENEIWYDGEKIKGNISEHPAFKGIIKTKSSLYELQTKDELIHEMTYCLPGDHNRIGLSYLQPKTKNDLKKRRTMIEHWARHTHGMMGRSPDYMNTVMMSFASSAELLKDKENCFPEHILDMYEQAAKHDLSFTHTFITPQVNRSQSYFGLSEKPISAKVIDRTEKGLMIHGARLLATQGGLTDEILVFSAPKFFFETDEAYAFSIPSNTKGVKFITRESFVLSDSSFNHPLSSRYEEMDSIVVFDHVLVPWNRVFFYDNVEAAKDFMTKSSFHAFTFHQVVIRQMIKIEFLLGVAQLLVDTINVSEYQHIQEKLSEIIVGLETIKALIDKSENDAQLDEFGYMRPCLIPLQVISTIIPKLYPRFTEIIQLIGASGMVTLPTENAFDSEIREDLDQYLQATNTNAEERVKIFRLAWDLTMSSFGTRQTHYERYFFGDPIRISSRLYTSYPKQEQLNMIKTFLHADTEH