PDB entry 6fv1

View 6fv1 on RCSB PDB site
Description: Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl)
Class: hydrolase
Keywords: Viral protease, coronavirus, alpha-ketoamide, inhibitor, HYDROLASE
Deposited on 2018-02-28, released 2019-03-20
The last revision prior to the SCOPe 2.07 freeze date was dated 2019-03-20, with a file datestamp of 2019-03-15.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: N/A
AEROSPACI score: 0.24 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Replicase polyprotein 1ab
    Species: Human coronavirus NL63 [TaxId:277944]
    Gene: rep, 1a-1b
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6fv1a_
  • Chain 'B':
    Compound: Replicase polyprotein 1ab
    Species: Human coronavirus NL63 [TaxId:277944]
    Gene: rep, 1a-1b
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6fv1b_
  • Chain 'C':
    Compound: Replicase polyprotein 1ab
    Species: Human coronavirus NL63 [TaxId:277944]
    Gene: rep, 1a-1b
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6fv1c_
  • Heterogens: E8E, GOL, DMS, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6fv1A (A:)
    sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
    rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
    asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
    vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
    svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmygv
    nhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6fv1A (A:)
    sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
    rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
    asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
    vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
    svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmygv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6fv1B (B:)
    sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
    rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
    asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
    vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
    svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmygv
    nhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6fv1B (B:)
    sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
    rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
    asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
    vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
    svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmyg
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6fv1C (C:)
    sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
    rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
    asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
    vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
    svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmygv
    nhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6fv1C (C:)
    sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
    rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
    asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
    vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
    svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmyg