PDB entry 3wye

View 3wye on RCSB PDB site
Description: Crystal Structure of chimeric engineered (2S,3S)-butanediol dehydrogenase complexed with NAD+
Class: oxidoreductase
Keywords: butanediol dehydrogenase, domain chimera, NAD+ complex, short-chain dehydrogenase/reductase family, Rossmann Fold, Oxidoreductase, NAD+ Binding, Oxidation/reduction
Deposited on 2014-08-26, released 2015-08-26
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-06-14, with a file datestamp of 2017-06-09.
Experiment type: XRAY
Resolution: 1.58 Å
R-factor: N/A
AEROSPACI score: 0.45 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming]
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: budC
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q48436 (Start-82)
      • engineered mutation (51)
      • engineered mutation (53)
    • Uniprot Q9ZNN8 (83-117)
    • Uniprot Q48436 (118-133)
    • Uniprot Q9ZNN8 (134-160)
    • Uniprot Q48436 (161-180)
    • Uniprot Q9ZNN8 (181-232)
    • Uniprot Q48436 (233-255)
    Domains in SCOPe 2.08: d3wyea_
  • Chain 'B':
    Compound: Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming]
    Species: Klebsiella pneumoniae [TaxId:573]
    Gene: budC
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q48436 (Start-82)
      • engineered mutation (51)
      • engineered mutation (53)
    • Uniprot Q9ZNN8 (83-117)
    • Uniprot Q48436 (118-133)
    • Uniprot Q9ZNN8 (134-160)
    • Uniprot Q48436 (161-180)
    • Uniprot Q9ZNN8 (181-232)
    • Uniprot Q48436 (233-255)
    Domains in SCOPe 2.08: d3wyeb_
  • Heterogens: NAD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3wyeA (A:)
mkkvalvtgagqgigkaialrlvkdgfavaiadyndatakavaseinqagghavavkvdv
sdrdqvfaaveqarktlggfdvivnnagiaqikpllevteedlkqiysvnvfsvffgiqa
aveafkkeghggkiinaasiaaiqgfpilsaysttkfavrgltqtaardlaplgitvngy
cpgivgtgmweqidaelskingkpigenfkeysssialgrpsvpedvaglvsflaspdsd
ymtgqsllidggmvfn

    Sequence, based on observed residues (ATOM records): (download) 
    >3wyeA (A:)
kkvalvtgagqgigkaialrlvkdgfavaiadyndatakavaseinqagghavavkvdvs
drdqvfaaveqarktlggfdvivnnagiaqikpllevteedlkqiysvnvfsvffgiqaa
veafkkeghggkiinaasiaaiqgfpilsaysttkfavrgltqtaardlaplgitvngyc
pgivgtgmweqidaelskingkpigenfkeysssialgrpsvpedvaglvsflaspdsdy
mtgqsllidggmvfn

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3wyeB (B:)
mkkvalvtgagqgigkaialrlvkdgfavaiadyndatakavaseinqagghavavkvdv
sdrdqvfaaveqarktlggfdvivnnagiaqikpllevteedlkqiysvnvfsvffgiqa
aveafkkeghggkiinaasiaaiqgfpilsaysttkfavrgltqtaardlaplgitvngy
cpgivgtgmweqidaelskingkpigenfkeysssialgrpsvpedvaglvsflaspdsd
ymtgqsllidggmvfn

    Sequence, based on observed residues (ATOM records): (download) 
    >3wyeB (B:)
kvalvtgagqgigkaialrlvkdgfavaiadyndatakavaseinqagghavavkvdvsd
rdqvfaaveqarktlggfdvivnnagiaqikpllevteedlkqiysvnvfsvffgiqaav
eafkkeghggkiinaasiaaiqgfpilsaysttkfavrgltqtaardlaplgitvngycp
givgtgmweqidaelsksialgrpsvpedvaglvsflaspdsdymtgqsllidggmvfn