PDB entry 5iyt

View 5iyt on RCSB PDB site
Description: Complex structure of EV-B93 main protease 3C with N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-2Z-butenamide
Class: hydrolase
Keywords: 3C main protease, Enterovirus B93, covalent inhibitor, hydrolase
Deposited on 2016-03-24, released 2016-10-05
The last revision prior to the SCOPe 2.08 freeze date was dated 2016-10-12, with a file datestamp of 2016-10-07.
Experiment type: XRAY
Resolution: 1.73 Å
R-factor: N/A
AEROSPACI score: 0.39 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: EV-B93 main protease 3C
    Species: Echovirus 1 (strain Human/Egypt/Farouk/1951) [TaxId:103908]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O91734 (2-End)
      • initiating methionine (0)
      • expression tag (1)
      • conflict (96)
      • engineered mutation (138)
    Domains in SCOPe 2.08: d5iyta_
  • Chain 'B':
    Compound: EV-B93 main protease 3C
    Species: Echovirus 1 (strain Human/Egypt/Farouk/1951) [TaxId:103908]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O91734 (2-End)
      • initiating methionine (0)
      • expression tag (1)
      • conflict (96)
      • engineered mutation (138)
    Domains in SCOPe 2.08: d5iytb_
  • Heterogens: NZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5iytA (A:)
mkgpafefavammkrnastvkteygeftmlgiydrwavlprhakpgptilmndqevgvld
akelvdkdgtnleltllklnrnekfrdirgflareevevneavlaintskfpnmyipvgq
vtdygflnlggtptkrmlvynfptragqcggvlmstgkvlgihvggnghqgfsaallrhy
fneeqhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >5iytA (A:)
mkgpafefavammkrnastvkteygeftmlgiydrwavlprhakpgptilmndqevgvld
akelvdkdgtnleltllklnrnekfrdirgflareevevneavlaintskfpnmyipvgq
vtdygflnlggtptkrmlvynfptragqcggvlmstgkvlgihvggnghqgfsaallrhy
fn

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5iytB (B:)
mkgpafefavammkrnastvkteygeftmlgiydrwavlprhakpgptilmndqevgvld
akelvdkdgtnleltllklnrnekfrdirgflareevevneavlaintskfpnmyipvgq
vtdygflnlggtptkrmlvynfptragqcggvlmstgkvlgihvggnghqgfsaallrhy
fneeqhhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >5iytB (B:)
mkgpafefavammkrnastvkteygeftmlgiydrwavlprhakpgptilmndqevgvld
akelvdkdgtnleltllklnrnekfrdirgflareevevneavlaintskfpnmyipvgq
vtdygflnlggtptkrmlvynfptragqcggvlmstgkvlgihvggnghqgfsaallrhy
fn