PDB entry 2q6f

View 2q6f on RCSB PDB site
Description: Crystal structure of infectious bronchitis virus (IBV) main protease in complex with a Michael acceptor inhibitor N3
Class: hydrolase
Keywords: coronavirus; IBV; main protease; 3C-Like proteinase; Michael acceptor inhibitor, HYDROLASE
Deposited on 2007-06-05, released 2008-02-12
The last revision prior to the SCOPe 2.08 freeze date was dated 2015-12-02, with a file datestamp of 2015-11-27.
Experiment type: XRAY
Resolution: 2 Å
R-factor: N/A
AEROSPACI score: 0.31 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Infectious bronchitis virus (IBV) main protease
    Species: Infectious bronchitis virus [TaxId:11120]
    Gene: M41 3C-like protease gene
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2q6fa_
  • Chain 'B':
    Compound: Infectious bronchitis virus (IBV) main protease
    Species: Infectious bronchitis virus [TaxId:11120]
    Gene: M41 3C-like protease gene
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d2q6fb_
  • Chain 'C':
    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 2Q6F (0-5)
  • Chain 'D':
    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 2Q6F (0-5)
  • Heterogens: HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2q6fA (A:)
gssgfkklvspssavekcivsvsyrgnnlnglwlgdsiycprhvlgkfsgdqwgdvlnla
nnhefevvtqngvtlnvvsrrlkgavlilqtavanaetpkykfvkancgdsftiacsygg
tviglypvtmrsngtirasflagacgsvgfniekgvvnffymhhlelpnalhtgtdlmge
fyggyvdeevaqrvppdnlvtnnivawlyaaiisvkessfsqpkwlesttvsiedynrwa
sdngftpfststaitklsaitgvdvckllrtimvksaqwgsdpilgqynfedeltpesvf
nqvggvrlq

    Sequence, based on observed residues (ATOM records): (download) 
    >2q6fA (A:)
sgfkklvspssavekcivsvsyrgnnlnglwlgdsiycprhvlgkfsgdqwgdvlnlann
hefevvtqngvtlnvvsrrlkgavlilqtavanaetpkykfvkancgdsftiacsyggtv
iglypvtmrsngtirasflagacgsvgfniekgvvnffymhhlelpnalhtgtdlmgefy
ggyvdeevaqrvppdnlvtnnivawlyaaiisvpkwlesttvsiedynrwasdngftpfs
tstaitklsaitgvdvckllrtimvksaqwgsdpilgqynfedeltpesvfnqv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >2q6fB (B:)
gssgfkklvspssavekcivsvsyrgnnlnglwlgdsiycprhvlgkfsgdqwgdvlnla
nnhefevvtqngvtlnvvsrrlkgavlilqtavanaetpkykfvkancgdsftiacsygg
tviglypvtmrsngtirasflagacgsvgfniekgvvnffymhhlelpnalhtgtdlmge
fyggyvdeevaqrvppdnlvtnnivawlyaaiisvkessfsqpkwlesttvsiedynrwa
sdngftpfststaitklsaitgvdvckllrtimvksaqwgsdpilgqynfedeltpesvf
nqvggvrlq

    Sequence, based on observed residues (ATOM records): (download) 
    >2q6fB (B:)
sgfkklvspssavekcivsvsyrgnnlnglwlgdsiycprhvlgkfsgdqwgdvlnlann
hefevvtqngvtlnvvsrrlkgavlilqtavanaetpkykfvkancgdsftiacsyggtv
iglypvtmrsngtirasflagacgsvgfniekgvvnffymhhlelpnalhtgtdlmgefy
ggyvdeevaqrvppdnlvtnnivawlyaaiisvpkwlesttvsiedynrwasdngftpfs
tstaitklsaitgvdvckllrtimvksaqwgsdpilgqynfedeltpesvfnqvg

  • Chain 'C':
    No sequence available.

  • Chain 'D':
    No sequence available.