PDB entry 3d23

View 3d23 on RCSB PDB site
Description: Main protease of HCoV-HKU1
Class: hydrolase/hydrolase inhibitor
Keywords: main protease, ATP-binding, Endonuclease, Exonuclease, Helicase, Membrane, Metal-binding, Nuclease, Nucleotide-binding, Nucleotidyltransferase, Protease, RNA replication, RNA-binding, RNA-directed RNA polymerase, Thiol protease, Transferase, Transmembrane, Zinc-finger, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2008-05-07, released 2008-09-16
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-10-25, with a file datestamp of 2017-10-20.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: N/A
AEROSPACI score: 0.2 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3C-like proteinase
    Species: Human coronavirus [TaxId:443239]
    Gene: rep
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5MQD2 (2-301)
      • expression tag (0-1)
    Domains in SCOPe 2.08: d3d23a1, d3d23a2
  • Chain 'B':
    Compound: 3C-like proteinase
    Species: Human coronavirus [TaxId:443239]
    Gene: rep
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5MQD2 (2-301)
      • expression tag (1)
    Domains in SCOPe 2.08: d3d23b1, d3d23b2
  • Chain 'C':
    Compound: 3C-like proteinase
    Species: Human coronavirus [TaxId:443239]
    Gene: rep
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3d23c_
  • Chain 'D':
    Compound: 3C-like proteinase
    Species: Human coronavirus [TaxId:443239]
    Gene: rep
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3d23d_
  • Chain 'E':
    Compound: n-[(5-methylisoxazol-3-yl)carbonyl]alanyl-l-valyl-n~1~-((1r,2z)-4-(benzyloxy)-4-oxo-1-{[(3r)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide
    Species: synthetic construct, synthetic [TaxId:32630]
    Database cross-references and differences (RAF-indexed):
    • PDB 3D23 (0-5)
  • Chain 'F':
    Compound: n-[(5-methylisoxazol-3-yl)carbonyl]alanyl-l-valyl-n~1~-((1r,2z)-4-(benzyloxy)-4-oxo-1-{[(3r)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide
    Species: synthetic construct, synthetic [TaxId:32630]
    Database cross-references and differences (RAF-indexed):
    • PDB 3D23 (0-5)
  • Chain 'G':
    Compound: n-[(5-methylisoxazol-3-yl)carbonyl]alanyl-l-valyl-n~1~-((1r,2z)-4-(benzyloxy)-4-oxo-1-{[(3r)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide
    Species: synthetic construct, synthetic [TaxId:32630]
    Database cross-references and differences (RAF-indexed):
    • PDB 3D23 (0-5)
  • Chain 'H':
    Compound: n-[(5-methylisoxazol-3-yl)carbonyl]alanyl-l-valyl-n~1~-((1r,2z)-4-(benzyloxy)-4-oxo-1-{[(3r)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-l-leucinamide
    Species: synthetic construct, synthetic [TaxId:32630]
    Database cross-references and differences (RAF-indexed):
    • PDB 3D23 (0-5)
  • Heterogens: HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3d23A (A:)
    assgivkmvsptskiepcivsvtygsmtlnglwlddkvycprhvicsssnmnepdysall
    crvtlgdftimsgrmsltvvsyqmqgcqlvltvslqnpytpkytfgnvkpgetftvlaay
    ngrpqgafhvtmrssytikgsflcgscgsvgyvltgdsvkfvymhqlelstgchtgtdft
    gnfygpyrdaqvvqlpvkdyvqtvnviawlyaailnncawfvqndvcstedfnvwamang
    fsqvkadlvldalasmtgvsietllaaikrlymgfqgrqilgsctfedelapsdvyqqla
    gv
    

    Sequence, based on observed residues (ATOM records): (download)
    >3d23A (A:)
    assgivkmvsptskiepcivsvtygsmtlnglwlddkvycprhvicsmnepdysallcrv
    tlgdftimsgrmsltvvsyqmqgcqlvltvslqnpytpkytfgnvkpgetftvlaayngr
    pqgafhvtmrssytikgsflcgscgsvgyvltgdsvkfvymhqlelstgchtgtdftgnf
    ygpyrdaqvvqlpvkdyvqtvnviawlyaailnncawfvqndvcstedfnvwamangfsq
    vkadlvldalasmtgvsietllaaikrlymgfqgrqilgsctfedelapsdvyqqlagv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3d23B (B:)
    assgivkmvsptskiepcivsvtygsmtlnglwlddkvycprhvicsssnmnepdysall
    crvtlgdftimsgrmsltvvsyqmqgcqlvltvslqnpytpkytfgnvkpgetftvlaay
    ngrpqgafhvtmrssytikgsflcgscgsvgyvltgdsvkfvymhqlelstgchtgtdft
    gnfygpyrdaqvvqlpvkdyvqtvnviawlyaailnncawfvqndvcstedfnvwamang
    fsqvkadlvldalasmtgvsietllaaikrlymgfqgrqilgsctfedelapsdvyqqla
    gv
    

    Sequence, based on observed residues (ATOM records): (download)
    >3d23B (B:)
    ssgivkmvsptskiepcivsvtygsmtlnglwlddkvycprhvicsssnmnepdysallc
    rvtlgdftimsgrmsltvvsyqmqgcqlvltvslqnpytpkytfgnvkpgetftvlaayn
    grpqgafhvtmrssytikgsflcgscgsvgyvltgdsvkfvymhqlelstgchtgtdftg
    nfygpyrdaqvvqlpvkdyvqtvnviawlyaailnncawfvqndvcstedfnvwamangf
    sqvkadlvldalasmtgvsietllaaikrlymgfqgrqilgsctfedelapsdvyqqlag
    v
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3d23C (C:)
    assgivkmvsptskiepcivsvtygsmtlnglwlddkvycprhvicsssnmnepdysall
    crvtlgdftimsgrmsltvvsyqmqgcqlvltvslqnpytpkytfgnvkpgetftvlaay
    ngrpqgafhvtmrssytikgsflcgscgsvgyvltgdsvkfvymhqlelstgchtgtdft
    gnfygpyrdaqvvqlpvkdyvqtvnviawlyaailnncawfvqndvcstedfnvwamang
    fsqvkadlvldalasmtgvsietllaaikrlymgfqgrqilgsctfedelapsdvyqqla
    gv
    

    Sequence, based on observed residues (ATOM records): (download)
    >3d23C (C:)
    givkmvsptskiepcivsvtygsmtlnglwlddkvycprhvicsssnmnepdysallcrv
    tlgdftimsgrmsltvvsyqmqgcqlvltvslqnpytpkytfgnvkpgetftvlaayngr
    pqgafhvtmrssytikgsflcgscgsvgyvltgdsvkfvymhqlelstgchtgtdftgnf
    ygpyrdaqvvqlpvkdyvqtvnviawlyaailnncawfvqndvcstedfnvwamangfsq
    vkadlvldalasmtgvsietllaaikrlymgfqgrqilgsctfedelapsdvyqqlag
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3d23D (D:)
    assgivkmvsptskiepcivsvtygsmtlnglwlddkvycprhvicsssnmnepdysall
    crvtlgdftimsgrmsltvvsyqmqgcqlvltvslqnpytpkytfgnvkpgetftvlaay
    ngrpqgafhvtmrssytikgsflcgscgsvgyvltgdsvkfvymhqlelstgchtgtdft
    gnfygpyrdaqvvqlpvkdyvqtvnviawlyaailnncawfvqndvcstedfnvwamang
    fsqvkadlvldalasmtgvsietllaaikrlymgfqgrqilgsctfedelapsdvyqqla
    gv
    

    Sequence, based on observed residues (ATOM records): (download)
    >3d23D (D:)
    sgivkmvsptskiepcivsvtygsmtlnglwlddkvycprhvicsssnmnepdysallcr
    vtlgdftimsgrmsltvvsyqmqgcqlvltvslqnpytpkytfgnvkpgetftvlaayng
    rpqgafhvtmrssytikgsflcgscgsvgyvltgdsvkfvymhqlelstgchtgtdftgn
    fygpyrdaqvvqlpvkdyvqtvnviawlyaailnncawfvqndvcstedfnvwamangfs
    qvkadlvldalasmtgvsietllaaikrlymgfqgrqilgsctfedelapsdvyqqlag
    

  • Chain 'E':
    No sequence available.

  • Chain 'F':
    No sequence available.

  • Chain 'G':
    No sequence available.

  • Chain 'H':
    No sequence available.