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 2.08 freeze date was dated 2021-04-28, with a file datestamp of 2021-04-23.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: N/A
AEROSPACI score: 0.31 (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: d6fv1a_
  • 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: d6fv1b_
  • 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: 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