PDB entry 3u1i

View 3u1i on RCSB PDB site
Description: Dengue virus protease covalently bound to a peptide
Class: hydrolase/hydrolase inhibitor
Keywords: SERINE PROTEASE, ER MEMBRANE, VIRAL PROTEIN, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2011-09-29, released 2011-11-09
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-06-05, with a file datestamp of 2013-05-31.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.219
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Serine protease subunit NS2B
    Species: Dengue virus 3 [TaxId:408693]
    Database cross-references and differences (RAF-indexed):
  • Chain 'B':
    Compound: Serine protease NS3
    Species: Dengue virus 3 [TaxId:408693]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5UB51 (9-End)
      • expression tag (7-8)
      • see remark 999 (123)
    Domains in SCOPe 2.08: d3u1ib1, d3u1ib2
  • Chain 'C':
    Compound: Serine protease subunit NS2B
    Species: Dengue virus 3 [TaxId:408693]
    Database cross-references and differences (RAF-indexed):
  • Chain 'D':
    Compound: Serine protease NS3
    Species: Dengue virus 3 [TaxId:408693]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q5UB51
      • see remark 999 (123)
    Domains in SCOPe 2.08: d3u1id_
  • Chain 'E':
    Compound: peptide of (BEZ)(NLE)KR(OAR)
    Species: synthetic, synthetic
    Database cross-references and differences (RAF-indexed):
    • PDB 3U1I (Start-4)
  • Chain 'F':
    Compound: peptide of (BEZ)(NLE)KR(OAR)
    Species: synthetic, synthetic
    Database cross-references and differences (RAF-indexed):
    • PDB 3U1I (0-4)
  • Heterogens: SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    No sequence available.

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3u1iB (B:)
ggggsggggsgvlwdvpsppetqkaeleegvyrikqqgifgktqvgvgvqkegvfhtmwh
vtrgavlthngkrlepnwasvkkdlisygggwrlsaqwqkgeevqviavepgknpknfqt
mpgtfqtttgeigaialdfkpgtsgspiinregkvvglygngvvtknggyvsgiaqtnae
pdgptpeleee

    Sequence, based on observed residues (ATOM records): (download) 
    >3u1iB (B:)
ggsgvlwdvpspaeleegvyrikqqgifgktqvgvgvqkegvfhtmwhvtrgavlthngk
rlepnwasvkkdlisygggwrlsaqwqkgeevqviavepgknpknfqtmpgtfqtttgei
gaialdfkpgtsgspiinregkvvglygngvvtknggyvsgiaqtnae

  • Chain 'C':
    No sequence available.

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3u1iD (D:)
ggggsggggsgvlwdvpsppetqkaeleegvyrikqqgifgktqvgvgvqkegvfhtmwh
vtrgavlthngkrlepnwasvkkdlisygggwrlsaqwqkgeevqviavepgknpknfqt
mpgtfqtttgeigaialdfkpgtsgspiinregkvvglygngvvtknggyvsgiaqtnae
pdgptpeleee

    Sequence, based on observed residues (ATOM records): (download) 
    >3u1iD (D:)
gvlwdvpskaeleegvyrikqqgifgktqvgvgvqkegvfhtmwhvtrgavlthngkrle
pnwasvkkdlisygggwrlsaqwqkgeevqviavepgknpknfqtmpgtfqtttgeigai
aldfkpgtsgspiinregkvvglygngvvtknggyvsgiaqtnae

  • Chain 'E':
    No sequence available.

  • Chain 'F':
    No sequence available.