PDB entry 6dyy

View 6dyy on RCSB PDB site
Description: Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol
Class: hydrolase/hydrolase inhibitor
Keywords: MTAN enzyme, duodenal ulcers, stomach cancer, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2018-07-02, released 2019-03-20
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-04-24, with a file datestamp of 2019-04-19.
Experiment type: XRAY
Resolution: 1.61 Å
R-factor: N/A
AEROSPACI score: 0.44 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
    Species: Helicobacter pylori [TaxId:210]
    Gene: BW246_00770, BZL55_04980, CEP79_03920
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0A1W0VQJ9 (15-244)
      • expression tag (13-14)
    Domains in SCOPe 2.08: d6dyya1, d6dyya2
  • Chain 'B':
    Compound: 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
    Species: Helicobacter pylori [TaxId:210]
    Gene: BW246_00770, BZL55_04980, CEP79_03920
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6dyyb_
  • Chain 'C':
    Compound: 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
    Species: Helicobacter pylori [TaxId:210]
    Gene: BW246_00770, BZL55_04980, CEP79_03920
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6dyyc_
  • Chain 'D':
    Compound: 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
    Species: Helicobacter pylori [TaxId:210]
    Gene: BW246_00770, BZL55_04980, CEP79_03920
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0A1W0VQJ9 (15-244)
      • expression tag (13-14)
    Domains in SCOPe 2.08: d6dyyd1, d6dyyd2
  • Heterogens: EDO, MG, OS6, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6dyyA (A:)
mghhhhhhenlyfqgvqkigilgamreeitpilelfgvdfeeiplggnvfhkgvyhnkei
ivayskigkvhstltttsmilafgvqkvlfsgvagslvkdlkindllvatqlvqhdvdls
afdhplgfipesaifietsgslnalakkianeqhialkegviasgdqfvhskerkeflvs
efkasavemegasvafvcqkfgvpccvlrsisdnadekagmsfdefleksahtsakflks
mvdel

    Sequence, based on observed residues (ATOM records): (download) 
    >6dyyA (A:)
qgvqkigilgamreeitpilelfgvdfeeiplggnvfhkgvyhnkeiivayskigkvhst
ltttsmilafgvqkvlfsgvagslvkdlkindllvatqlvqhdvdlsafdhplgfipesa
ifietsgslnalakkianeqhialkegviasgdqfvhskerkeflvsefkasavemegas
vafvcqkfgvpccvlrsisdnadekagmsfdefleksahtsakflksmvdel

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6dyyB (B:)
mghhhhhhenlyfqgvqkigilgamreeitpilelfgvdfeeiplggnvfhkgvyhnkei
ivayskigkvhstltttsmilafgvqkvlfsgvagslvkdlkindllvatqlvqhdvdls
afdhplgfipesaifietsgslnalakkianeqhialkegviasgdqfvhskerkeflvs
efkasavemegasvafvcqkfgvpccvlrsisdnadekagmsfdefleksahtsakflks
mvdel

    Sequence, based on observed residues (ATOM records): (download) 
    >6dyyB (B:)
vqkigilgamreeitpilelfgvdfeeiplggnvfhkgvyhnkeiivayskigkvhstlt
ttsmilafgvqkvlfsgvagslvkdlkindllvatqlvqhdvdlsafdhplgfipesaif
ietsgslnalakkianeqhialkegviasgdqfvhskerkeflvsefkasavemegasva
fvcqkfgvpccvlrsisdnadekagmsfdefleksahtsakflksmvdel

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6dyyC (C:)
mghhhhhhenlyfqgvqkigilgamreeitpilelfgvdfeeiplggnvfhkgvyhnkei
ivayskigkvhstltttsmilafgvqkvlfsgvagslvkdlkindllvatqlvqhdvdls
afdhplgfipesaifietsgslnalakkianeqhialkegviasgdqfvhskerkeflvs
efkasavemegasvafvcqkfgvpccvlrsisdnadekagmsfdefleksahtsakflks
mvdel

    Sequence, based on observed residues (ATOM records): (download) 
    >6dyyC (C:)
vqkigilgamreeitpilelfgvdfeeiplggnvfhkgvyhnkeiivayskigkvhstlt
ttsmilafgvqkvlfsgvagslvkdlkindllvatqlvqhdvdlsafdhplgfipesaif
ietsgslnalakkianeqhialkegviasgdqfvhskerkeflvsefkasavemegasva
fvcqkfgvpccvlrsisdnadekagmsfdefleksahtsakflksmvdel

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >6dyyD (D:)
mghhhhhhenlyfqgvqkigilgamreeitpilelfgvdfeeiplggnvfhkgvyhnkei
ivayskigkvhstltttsmilafgvqkvlfsgvagslvkdlkindllvatqlvqhdvdls
afdhplgfipesaifietsgslnalakkianeqhialkegviasgdqfvhskerkeflvs
efkasavemegasvafvcqkfgvpccvlrsisdnadekagmsfdefleksahtsakflks
mvdel

    Sequence, based on observed residues (ATOM records): (download) 
    >6dyyD (D:)
qgvqkigilgamreeitpilelfgvdfeeiplggnvfhkgvyhnkeiivayskigkvhst
ltttsmilafgvqkvlfsgvagslvkdlkindllvatqlvqhdvdlsafdhplgfipesa
ifietsgslnalakkianeqhialkegviasgdqfvhskerkeflvsefkasavemegas
vafvcqkfgvpccvlrsisdnadekagmsfdefleksahtsakflksmvdel