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