PDB entry 4wh8

View 4wh8 on RCSB PDB site
Description: Crystal Structure of HCV NS3/4A protease in complex with an Asunaprevir P1-P3 macrocyclic analog.
Class: hydrolase/hydrolase inhibitor
Keywords: HCV Drug resistance, protease-inhibitor complex, Asunaprevir, macrocycle, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2014-09-20, released 2014-10-15
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-12-11, with a file datestamp of 2019-12-06.
Experiment type: XRAY
Resolution: 2.7 Å
R-factor: N/A
AEROSPACI score: 0.18 (click here for full SPACI score report)

Chains and heterogens:

• Chain 'A':
  Compound: Genome polyprotein
  Species: Hepatitis C virus subtype 1a [TaxId:31646]
  Database cross-references and differences (RAF-indexed):
  • Uniprot A8DG50 (22-197)
    • expression tag (0-21)
    • conflict (31-32)
    • conflict (35-36)
    • conflict (39)
    • conflict (58)
    • conflict (65)
    • conflict (70)
    • conflict (90)
    • conflict (104)
    • conflict (157)
  Domains in SCOPe 2.08: d4wh8a1, d4wh8a2
• Chain 'B':
  Compound: Genome polyprotein
  Species: Hepatitis C virus subtype 1a [TaxId:31646]
  Database cross-references and differences (RAF-indexed):
  • Uniprot A8DG50 (22-197)
    • expression tag (0-21)
    • conflict (31-32)
    • conflict (35-36)
    • conflict (39)
    • conflict (58)
    • conflict (65)
    • conflict (70)
    • conflict (90)
    • conflict (104)
    • conflict (157)
  Domains in SCOPe 2.08: d4wh8b1, d4wh8b2
• Heterogens: 3M7, SO4, ZN, HOH

PDB Chain Sequences:

• Chain 'A':
  Sequence; same for both SEQRES and ATOM records: (download)
  

  >4wh8A (A:)
  hmasmkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatq
  tflatsingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgs
  sdlylvtrhadvipvrrrgdsrgsllsprpisylkgsaggpllcpaghavgifraavctr
  gvakavdfipveslettm
  

  
  
• Chain 'B':
  Sequence; same for both SEQRES and ATOM records: (download)
  

  >4wh8B (B:)
  hmasmkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatq
  tflatsingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgs
  sdlylvtrhadvipvrrrgdsrgsllsprpisylkgsaggpllcpaghavgifraavctr
  gvakavdfipveslettm