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Oxidoreductase PDB id
1oik
Jmol
Contents
Protein chains
240 a.a. *
254 a.a. *
Ligands
C26 ×2
AKG ×2
Metals
FE2 ×2
Waters ×245
* Residue conservation analysis
PDB id:
1oik
Name: Oxidoreductase
Title: Crystal structure of the alkylsulfatase atsk, a non-heme fe(ii) alphaketoglutarate dependent dioxygenase in complex with fe, alphaketoglutarate and 2-ethyl-1-hexanesulfuric acid
Structure: Putative alkylsulfatase atsk. Chain: a, d. Synonym: non-heme fe(ii) alpha ketoglutarate dependent dioxygenase, alkylsulfatase
Source: Pseudomonas putida. Organism_taxid: 303. Strain: s-313. Other_details: dsm 6884
Biol. unit: Tetramer (from PDB file)
Resolution:
2.06Å     R-factor:   0.200     R-free:   0.221
Authors: I.Mueller,A.Kahnert,T.Pape,T.Dierks,W.Meyer-Klauke, M.A.Kertesz,I.Uson
Key ref:
I.Müller et al. (2004). Crystal structure of the alkylsulfatase AtsK: insights into the catalytic mechanism of the Fe(II) alpha-ketoglutarate-dependent dioxygenase superfamily. Biochemistry, 43, 3075-3088. PubMed id: 15023059 DOI: 10.1021/bi035752v
Date:
18-Jun-03     Release date:   30-Mar-04    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
Q9WWU5  (Q9WWU5_PSEPU) -  Putative alkylsulfatase
Seq:
Struc: 		301 a.a.
240 a.a.*
Protein chain
Pfam   ArchSchema ?
Q9WWU5  (Q9WWU5_PSEPU) -  Putative alkylsulfatase
Seq:
Struc: 		301 a.a.
254 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 2 residue positions (black crosses)

 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     oxidation reduction   1 term 
  Biochemical function     oxidoreductase activity     1 term  

 

 
DOI no: 10.1021/bi035752v Biochemistry 43:3075-3088 (2004)
PubMed id: 15023059  
 
 
Crystal structure of the alkylsulfatase AtsK: insights into the catalytic mechanism of the Fe(II) alpha-ketoglutarate-dependent dioxygenase superfamily.
I.Müller, A.Kahnert, T.Pape, G.M.Sheldrick, W.Meyer-Klaucke, T.Dierks, M.Kertesz, I.Usón.
 
  ABSTRACT  
 
The alkylsulfatase AtsK from Pseudomonas putida S-313 belongs to the widespread and versatile non-heme iron(II) alpha-ketoglutarate-dependent dioxygenase superfamily and catalyzes the oxygenolytic cleavage of a variety of different alkyl sulfate esters to the corresponding aldehyde and sulfate. The enzyme is only expressed under sulfur starvation conditions, providing a selective advantage for bacterial growth in soils and rhizosphere. Here we describe the crystal structure of AtsK in the apo form and in three complexes: with the cosubstrate alpha-ketoglutarate, with alpha-ketoglutarate and iron, and finally with alpha-ketoglutarate, iron, and an alkyl sulfate ester used as substrate in catalytic studies. The overall fold of the enzyme is closely related to that of the taurine/alpha-ketoglutarate dioxygenase TauD and is similar to the fold observed for other members of the enzyme superfamily. From comparison of these structures with the crystal structure of AtsK and its complexes, we propose a general mechanism for the catalytic cycle of the alpha-ketoglutarate-dependent dioxygenase superfamily.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
21443853 E.Saban, S.C.Flagg, and M.J.Knapp (2011).
Uncoupled O2-activation in the human HIF-asparaginyl hydroxylase, FIH, does not produce reactive oxygen species.
  J Inorg Biochem, 105, 630-636.  
20218986 A.Benjdia, S.Subramanian, J.Leprince, H.Vaudry, M.K.Johnson, and O.Berteau (2010).
Anaerobic sulfatase-maturating enzyme--a mechanistic link with glycyl radical-activating enzymes?
  FEBS J, 277, 1906-1920.  
20660778 D.Khare, B.Wang, L.Gu, J.Razelun, D.H.Sherman, W.H.Gerwick, K.Håkansson, and J.L.Smith (2010).
Conformational switch triggered by alpha-ketoglutarate in a halogenase of curacin A biosynthesis.
  Proc Natl Acad Sci U S A, 107, 14099-14104.
PDB codes: 3nnf 3nnj 3nnl 3nnm
20040577 H.S.Kim, H.L.Kim, K.H.Kim, d.o. .J.Kim, S.J.Lee, J.Y.Yoon, H.J.Yoon, H.Y.Lee, S.B.Park, S.J.Kim, J.Y.Lee, and S.W.Suh (2010).
Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex.
  Nucleic Acids Res, 38, 2099-2110.
PDB codes: 3kt1 3kt4 3kt7
19625206 P.He, and G.R.Moran (2009).
We two alone will sing: the two-substrate alpha-keto acid-dependent oxygenases.
  Curr Opin Chem Biol, 13, 443-450.  
19490124 V.Helmetag, S.A.Samel, M.G.Thomas, M.A.Marahiel, and L.O.Essen (2009).
Structural basis for the erythro-stereospecificity of the L-arginine oxygenase VioC in viomycin biosynthesis.
  FEBS J, 276, 3669-3682.
PDB codes: 2wbo 2wbp 2wbq
18390551 B.L.Carlson, E.R.Ballister, E.Skordalakes, D.S.King, M.A.Breidenbach, S.A.Gilmore, J.M.Berger, and C.R.Bertozzi (2008).
Function and structure of a prokaryotic formylglycine-generating enzyme.
  J Biol Chem, 283, 20117-20125.
PDB code: 2q17
19020684 P.C.Bruijnincx, G.van Koten, and R.J.Klein Gebbink (2008).
Mononuclear non-heme iron enzymes with the 2-His-1-carboxylate facial triad: recent developments in enzymology and modeling studies.
  Chem Soc Rev, 37, 2716-2744.  
18558715 T.L.Grove, K.H.Lee, J.St Clair, C.Krebs, and S.J.Booker (2008).
In vitro characterization of AtsB, a radical SAM formylglycine-generating enzyme that contains three [4Fe-4S] clusters.
  Biochemistry, 47, 7523-7538.  
17286284 C.Andreini, L.Banci, I.Bertini, S.Elmi, and A.Rosato (2007).
Non-heme iron through the three domains of life.
  Proteins, 67, 317-324.  
17150269 P.Gadler, and K.Faber (2007).
New enzymes for biotransformations: microbial alkyl sulfatases displaying stereo- and enantioselectivity.
  Trends Biotechnol, 25, 83-88.  
17180236 S.P.de Visser (2007).
Can the peroxosuccinate complex in the catalytic cycle of taurine/alpha-ketoglutarate dioxygenase (TauD) act as an alternative oxidant?
  Chem Commun (Camb), 0, 171-173.  
17431691 V.Purpero, and G.R.Moran (2007).
The diverse and pervasive chemistries of the alpha-keto acid dependent enzymes.
  J Biol Inorg Chem, 12, 587-601.  
17942405 Z.You, S.Omura, H.Ikeda, D.E.Cane, and G.Jogl (2007).
Crystal structure of the non-heme iron dioxygenase PtlH in pentalenolactone biosynthesis.
  J Biol Chem, 282, 36552-36560.
PDB codes: 2rdn 2rdq 2rdr 2rds
16482161 B.Yu, W.C.Edstrom, J.Benach, Y.Hamuro, P.C.Weber, B.R.Gibney, and J.F.Hunt (2006).
Crystal structures of catalytic complexes of the oxidative DNA/RNA repair enzyme AlkB.
  Nature, 439, 879-884.
PDB codes: 2fd8 2fdf 2fdg 2fdh 2fdi 2fdj 2fdk
16684886 G.Hagelueken, T.M.Adams, L.Wiehlmann, U.Widow, H.Kolmar, B.Tümmler, D.W.Heinz, and W.D.Schubert (2006).
The crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa, defines a third class of sulfatases.
  Proc Natl Acad Sci U S A, 103, 7631-7636.
PDB codes: 2cfu 2cfz 2cg2 2cg3
16731970 T.A.Müller, M.I.Zavodszky, M.Feig, L.A.Kuhn, and R.P.Hausinger (2006).
Structural basis for the enantiospecificities of R- and S-specific phenoxypropionate/alpha-ketoglutarate dioxygenases.
  Protein Sci, 15, 1356-1368.  
  16511070 E.Bitto, C.A.Bingman, S.T.Allard, G.E.Wesenberg, D.J.Aceti, R.L.Wrobel, R.O.Frederick, H.Sreenath, F.C.Vojtik, W.B.Jeon, C.S.Newman, J.Primm, M.R.Sussman, B.G.Fox, J.L.Markley, and G.N.Phillips (2005).
The structure at 2.4 A resolution of the protein from gene locus At3g21360, a putative Fe(II)/2-oxoglutarate-dependent enzyme from Arabidopsis thaliana.
  Acta Crystallogr Sect F Struct Biol Cryst Commun, 61, 469-472.
PDB code: 1y0z
15542595 I.Müller, C.Stückl, J.Wakeley, M.Kertesz, and I.Usón (2005).
Succinate complex crystal structures of the alpha-ketoglutarate-dependent dioxygenase AtsK: steric aspects of enzyme self-hydroxylation.
  J Biol Chem, 280, 5716-5723.
PDB codes: 1vz4 1vz5
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 codes are shown on the right.