PDB entry 6fv2

View 6fv2 on RCSB PDB site
Description: Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-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: 2.95 Å
R-factor: N/A
AEROSPACI score: 0.21 (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: d6fv2a_
  • 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: d6fv2b_
  • 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: d6fv2c_
  • Heterogens: D03, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6fv2A (A:)
sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmygv
nhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6fv2A (A:)
sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmygv
n

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6fv2B (B:)
sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmygv
nhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6fv2B (B:)
sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmyg

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >6fv2C (C:)
sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmygv
nhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >6fv2C (C:)
sglkkmaqpsgcvercvvrvcygstvlngvwlgdtvtcprhviapsttvlidydhaystm
rlhnfsvshngvflgvvgvtmhgsvlrikvsqsnvhtpkhvfktlkpgdsfnilacyegi
asgvfgvnlrtnftikgsfingacgspgynvrndgtvefcylhqielgsgahvgsdftgs
vygnfddqpslqvesanlmlsdnvvaflyaallngcrwwlcstrvnvdgfnewamangyt
svssvecysilaaktgvsveqllasiqhlhegfggknilgysslcdeftlaevvkqmyg