PDB entry 5nh0

View 5nh0 on RCSB PDB site
Description: Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide tert-Butyl ((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)b- utan-2-yl)carbamate (tert-butyl -GlnLactam-CO-CO-NH-benzyl)
Class: hydrolase
Keywords: Viral protease, coronavirus, alpha-ketoamide, inhibitor, HYDROLASE
Deposited on 2017-03-21, released 2018-05-16
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-04-28, with a file datestamp of 2021-04-23.
Experiment type: XRAY
Resolution: 2.3499999999999996 Å
R-factor: N/A
AEROSPACI score: 0.3 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3C-like proteinase
    Species: HUMAN CORONAVIRUS NL63 [TaxId:277944]
    Gene: rep, 1a-1b
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5nh0a_
  • Chain 'B':
    Compound: 3C-like proteinase
    Species: HUMAN CORONAVIRUS NL63 [TaxId:277944]
    Gene: rep, 1a-1b
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5nh0b_
  • Chain 'C':
    Compound: 3C-like proteinase
    Species: HUMAN CORONAVIRUS NL63 [TaxId:277944]
    Gene: rep, 1a-1b
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5nh0c_
  • Heterogens: 8X8, DMS, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5nh0A (A:)
    sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
    rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
    asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
    vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
    svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmygv
    

    Sequence, based on observed residues (ATOM records): (download)
    >5nh0A (A:)
    sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
    rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
    asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
    vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
    svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmyg
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >5nh0B (B:)
    sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
    rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
    asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
    vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
    svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmygv
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5nh0C (C:)
    sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
    rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
    asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
    vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
    svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmygv
    

    Sequence, based on observed residues (ATOM records): (download)
    >5nh0C (C:)
    sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
    rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
    asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
    vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
    svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmyg