PDB entry 6whd

View 6whd on RCSB PDB site
Description: Crystal structure of E.coli DsbA in complex with diaryl ether analogue 2
Class: oxidoreductase/inhibitor
Keywords: Inhibitor, Complex, OXIDOREDUCTASE, oxidoreductase-oxidoreductase inhibitor complex, OXIDOREDUCTASE-INHIBITOR complex
Deposited on 2020-04-08, released 2020-06-24
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-07-22, with a file datestamp of 2020-07-17.
Experiment type: XRAY
Resolution: 1.99 Å
R-factor: N/A
AEROSPACI score: 0.38 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Thiol:disulfide interchange protein dsbA
    Species: Escherichia coli (strain K12) [TaxId:83333]
    Gene: dsbA, dsf, ppfA, b3860, JW3832
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6whda_
  • Chain 'B':
    Compound: Thiol:disulfide interchange protein dsbA
    Species: Escherichia coli (strain K12) [TaxId:83333]
    Gene: dsbA, dsf, ppfA, b3860, JW3832
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d6whdb_
  • Heterogens: KFS, CU, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >6whdA (A:)
aqyedgkqyttlekpvagapqvleffsffcphcyqfeevlhisdnvkkklpegvkmtkyh
vnfmggdlgkdltqawavamalgvedkvtvplfegvqktqtirsasdirdvfinagikge
eydaawnsfvvkslvaqqekaaadvqlrgvpamfvngkyqlnpqgmdtsnmdvfvqqyad
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    Sequence, based on observed residues (ATOM records): (download) 
    >6whdA (A:)
aqyedgkqyttlekpvagapqvleffsffcphcyqfeevlhisdnvkkklpegvkmtkyh
vnfmggdlgkdltqawavamalgvedkvtvplfegvqktqtirsasdirdvfinagikge
eydaawnsfvvkslvaqqekaaadvqlrgvpamfvngkyqlnpqgmdtsnmdvfvqqyad
tvkylsek

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >6whdB (B:)
aqyedgkqyttlekpvagapqvleffsffcphcyqfeevlhisdnvkkklpegvkmtkyh
vnfmggdlgkdltqawavamalgvedkvtvplfegvqktqtirsasdirdvfinagikge
eydaawnsfvvkslvaqqekaaadvqlrgvpamfvngkyqlnpqgmdtsnmdvfvqqyad
tvkylsekk

    Sequence, based on observed residues (ATOM records): (download) 
    >6whdB (B:)
aqyedgkqyttlekpvagapqvleffsffcphcyqfeevlhisdnvkkklpegvkmtkyh
vnfmggdlgkdltqawavamalgvedkvtvplfegvqktqtirsasdirdvfinagikge
eydaawnsfvvkslvaqqekaaadvqlrgvpamfvngkyqlnpqgmdtsnmdvfvqqyad
tvkylsek