PDB entry 6n4n

View 6n4n on RCSB PDB site
Description: crystal structure of the designed protein dncr2/danoprevir/ns3a complex
Deposited on 2018-11-19, released 2019-09-11
The last revision was dated 2019-10-16, with a file datestamp of 2019-10-11.
Experiment type: XRAY
Resolution: 2.29 Å
R-factor: N/A
AEROSPACI score: 0.25 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: NS3 protease
    Species: Hepacivirus C [TaxId:11103]
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0A0B4WYC6 (18-196)
      • expression tag (2-17)
      • conflict (27-28)
      • conflict (31-32)
      • conflict (35)
      • conflict (61)
      • conflict (66)
      • conflict (86)
      • conflict (100)
      • conflict (153)
      • conflict (173)
  • Chain 'B':
    Compound: NS3 protease
    Species: Hepacivirus C [TaxId:11103]
    Database cross-references and differences (RAF-indexed):
    • Uniprot A0A0B4WYC6 (18-196)
      • expression tag (2-17)
      • conflict (27-28)
      • conflict (31-32)
      • conflict (35)
      • conflict (61)
      • conflict (66)
      • conflict (86)
      • conflict (100)
      • conflict (153)
      • conflict (173)
  • Chain 'C':
    Compound: Rosetta-designed danoprevir/NS3a complex reader 2
    Species: synthetic construct, synthetic [TaxId:32630]
    Database cross-references and differences (RAF-indexed):
    • PDB 6N4N
  • Chain 'F':
    Compound: Rosetta-designed danoprevir/NS3a complex reader 2
    Species: synthetic construct, synthetic [TaxId:32630]
    Database cross-references and differences (RAF-indexed):
    • PDB 6N4N
  • Heterogens: TSV, ZN, SO4, HOH

PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.08, so the chain sequences below are not included in the ASTRAL sequence sets.

  • Chain 'A':
    Sequence, based on SEQRES records:
    >6n4nA (A:)
mkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtfla
tsingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdly
lvtrhadvipvrrrgdsrgsllsprpisylkgsaggpllcpaghavgifraavstrgvak
avdfipveslettmrsp

    Sequence, based on observed residues (ATOM records):
    >6n4nA (A:)
kkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflats
ingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylv
trhadvipvrrrgdsrgsllsprpisylkgsaggpllcpaghavgifraavstrgvakav
dfipveslettmrsp

  • Chain 'B':
    Sequence, based on SEQRES records:
    >6n4nB (B:)
mkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtfla
tsingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdly
lvtrhadvipvrrrgdsrgsllsprpisylkgsaggpllcpaghavgifraavstrgvak
avdfipveslettmrsp

    Sequence, based on observed residues (ATOM records):
    >6n4nB (B:)
kkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflats
ingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylv
trhadvipvrrrgdsrgsllsprpisylkgsaggpllcpaghavgifraavstrgvakav
dfipveslettmrsp

  • Chain 'C':
    Sequence, based on SEQRES records:
    >6n4nC (C:)
ssdeeearelierakeaaeraqeaaertgdprvrelarelkrlaqeaaeevkrdpsssdv
nealkliveaieaavdaleaaertgdpevrelarelvrlaveaaeevqrnpsssdvneal
hsivyaieaaifaleaaertgdpevrelarelvrlaveaaeevqrnpssrnvehalmriv
laiylaeenlreaeesgdpekrekarervreaveraeevqrdpsgwlnh

    Sequence, based on observed residues (ATOM records):
    >6n4nC (C:)
sdeeearelierakeaaeraqeaaertgdprvrelarelkrlaqeaaeevkrdpsssdvn
ealkliveaieaavdaleaaertgdpevrelarelvrlaveaaeevqrnpsssdvnealh
sivyaieaaifaleaaertgdpevrelarelvrlaveaaeevnvehalmrivlaiylaee
nlre

  • Chain 'F':
    Sequence, based on SEQRES records:
    >6n4nF (F:)
ssdeeearelierakeaaeraqeaaertgdprvrelarelkrlaqeaaeevkrdpsssdv
nealkliveaieaavdaleaaertgdpevrelarelvrlaveaaeevqrnpsssdvneal
hsivyaieaaifaleaaertgdpevrelarelvrlaveaaeevqrnpssrnvehalmriv
laiylaeenlreaeesgdpekrekarervreaveraeevqrdpsgwlnh

    Sequence, based on observed residues (ATOM records):
    >6n4nF (F:)
sdeeearelierakeaaeraqeaaertgdprvrelarelkrlaqeaaeevkrdpsssdvn
ealkliveaieaavdaleaaertgdpevrelarelvrlaveaaeevqrnpsssdvnealh
sivyaieaaifaleaaertgdpevrelarelvrlaveaaeevqrnpssrnvehalmrivl
aiylaeenlre