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PDBsum entry 1kev
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protein ligands metals Protein-protein interface(s) links
Oxidoreductase PDB id
1kev

 

 

 

 

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Contents
Protein chains
351 a.a. *
Ligands
NDP ×4
Metals
_ZN ×4
Waters ×686
* Residue conservation analysis
PDB id:
1kev
Name: Oxidoreductase
Title: Structure of NADP-dependent alcohol dehydrogenase
Structure: NADP-dependent alcohol dehydrogenase. Chain: a, b, c, d. Engineered: yes. Other_details: holo-enzyme form
Source: Clostridium beijerinckii. Organism_taxid: 1520. Expressed in: escherichia coli. Expression_system_taxid: 562.
Biol. unit: Tetramer (from PQS)
Resolution:
2.05Å     R-factor:   0.205     R-free:   0.259
Authors: Y.Korkhin,F.Frolow
Key ref:
Y.Korkhin et al. (1996). Crystalline alcohol dehydrogenases from the mesophilic bacterium Clostridium beijerinckii and the thermophilic bacterium Thermoanaerobium brockii: preparation, characterization and molecular symmetry. Acta Crystallogr D Biol Crystallogr, 52, 882-886. PubMed id: 15299659 DOI: 10.1107/S0907444996001461
Date:
21-Oct-96     Release date:   22-Oct-97    
PROCHECK
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 Headers
 References

Protein chains
Pfam   ArchSchema ?
P25984  (ADH_CLOBE) -  NADP-dependent isopropanol dehydrogenase from Clostridium beijerinckii
Seq:
Struc: 		351 a.a.
351 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.1.1.1.80  - isopropanol dehydrogenase (NADP(+)).
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: propan-2-ol + NADP+ = acetone + NADPH + H+
propan-2-ol
Bound ligand (Het Group name = NDP)
corresponds exactly 		+ NADP(+)
 = acetone
 + NADPH
 + H(+)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site

 

 
    reference    
 
 
DOI no: 10.1107/S0907444996001461 Acta Crystallogr D Biol Crystallogr 52:882-886 (1996)
PubMed id: 15299659  
 
 
Crystalline alcohol dehydrogenases from the mesophilic bacterium Clostridium beijerinckii and the thermophilic bacterium Thermoanaerobium brockii: preparation, characterization and molecular symmetry.
Y.Korkhin, F.Frolow, O.Bogin, M.Peretz, A.J.Kalb, Y.Burstein.
 
  ABSTRACT  
 
Two tetrameric NADP(+)-dependent bacterial secondary alcohol dehydrogenases have been crystallized in the apo- and the holo-enzyme forms. Crystals of the holo-enzyme from the mesophilic Clostridium beijerinckii (NCBAD) belong to space group P2(1)2(1)2(1) with unit-cell dimensions a = 90.5, b = 127.9, c = 151.4 A. Crystals of the apo-enzyme (CBAD) belong to the same space group with unit-cell dimensions a = 80.4, b = 102.3, c = 193.5 A. Crystals of the holo-enzyme from the thermophilic Thermoanaerobium brockii (NTBAD) belong to space group P6(1(5)) (a = b = 80.6, c = 400.7 A). Crystals of the apo-form of TBAD (point mutant GI98D) belong to space group P2(1) with cell dimensions a = 123.0, b = 84.8, c = 160.4 A beta = 99.5 degrees. Crystals of CBAD, NCBAD and NTBAD contain one tetramer per asymmetric unit. They diffract to 2.0 A resolution at liquid nitrogen temperature. Crystals of TBAD(GI98D) have two tetramers per asymmetric unit and diffract to 2.7 A at 276 K. Self-rotation analysis shows that both enzymes are tetramers of 222 symmetry.
 
  Selected figure(s)  
 
Figure 2.
Fig. 2. ~= 180 ° sections of self-rotation maps for (a) CBAD; (b) (c) NTBAD and (d) TBAD (GI98D).
 
  The above figure is reprinted by permission from the IUCr: Acta Crystallogr D Biol Crystallogr (1996, 52, 882-886) copyright 1996.  
  Figure was selected by an automated process.  

Literature references that cite this PDB file's key reference

  PubMed id Reference
10651277 C.Li, J.Heatwole, S.Soelaiman, and M.Shoham (1999).
Crystal structure of a thermophilic alcohol dehydrogenase substrate complex suggests determinants of substrate specificity and thermostability.
  Proteins, 37, 619-627.
PDB code: 1bxz
  10390199 J.Samuelson (1999).
Why metronidazole is active against both bacteria and parasites.
  Antimicrob Agents Chemother, 43, 1533-1541.  
  10417229 Y.Korkhin, A.J.Kalb (Gilboa), M.Peretz, O.Bogin, Y.Burstein, and F.Frolow (1999).
Oligomeric integrity--the structural key to thermal stability in bacterial alcohol dehydrogenases.
  Protein Sci, 8, 1241-1249.  
9351804 N.E.Chayen (1997).
The role of oil in macromolecular crystallization.
  Structure, 5, 1269-1274.  
  9041649 O.Bogin, M.Peretz, and Y.Burstein (1997).
Thermoanaerobacter brockii alcohol dehydrogenase: characterization of the active site metal and its ligand amino acids.
  Protein Sci, 6, 450-458.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time. Where a reference describes a PDB structure, the PDB code is shown on the right.

 

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