PDB entry 2h6m

View 2h6m on RCSB PDB site
Description: An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors
Class: hydrolase/hydrolase inhibitor
Keywords: beta barrel, hydrolase-hydrolase inhibitor complex
Deposited on 2006-05-31, released 2006-08-08
The last revision prior to the SCOPe 2.08 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 1.4 Å
R-factor: 0.178
AEROSPACI score: 0.68 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: picornain 3c
    Species: Hepatitis A virus [TaxId:12092]
    Gene: 3C gene
    Database cross-references and differences (RAF-indexed):
    • Uniprot P06441 (0-211)
      • engineered (23)
    Domains in SCOPe 2.08: d2h6ma_
  • Chain 'I':
    Compound: n-acetyl-leucyl-alanyl-alanyl-(n,n-dimethyl)-glutamine-(1,4-dioxo-3,4-dihydro-1h-phthalazin-2-yl)methylketone inhibitor
    Database cross-references and differences (RAF-indexed):
    • PDB 2H6M (Start-4)
  • Heterogens: BBL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2h6mA (A:)
    stleiaglvrknlvqfgvgekngsvrwvmnalgvkddwllvpshaykfekdyemmefyfn
    rggtyysisagnvviqsldvgfqdvvlmkvptipkfrditqhfikkgdvpralnrlatlv
    ttvngtpmlisegplkmeekatyvhkkndgttvdltvdqawrgkgeglpgmcggalvssn
    qsiqnailgihvaggnsilvaklvtqemfqni
    

  • Chain 'I':
    No sequence available.