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PDBsum entry 2ind
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Oxidoreductase
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PDB id
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2ind
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Contents |
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491 a.a.
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323 a.a.
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83 a.a.
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* Residue conservation analysis
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PDB id:
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Oxidoreductase
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Title:
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Mn(ii) reconstituted toluene/o-xylene monooxygenase hydroxylase x-ray crystal structure
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Structure:
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Toluene, o-xylene monooxygenase oxygenase subunit. Chain: a. Engineered: yes. Toluene, o-xylene monooxygenase oxygenase subunit. Chain: b. Synonym: toluene o-xylene monooxygenase component. Engineered: yes. Toub protein. Chain: c.
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Source:
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Pseudomonas stutzeri. Organism_taxid: 316. Strain: ox1. Gene: toua. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008. Gene: toue. Gene: toub.
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Biol. unit:
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Trimer (from PDB file)
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Resolution:
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2.20Å
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R-factor:
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0.217
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R-free:
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0.246
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Authors:
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M.S.Mccormick,M.H.Sazinsky,K.L.Condon,S.J.Lippard
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Key ref:
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M.S.McCormick
et al.
(2006).
X-ray crystal structures of manganese(II)-reconstituted and native toluene/o-xylene monooxygenase hydroxylase reveal rotamer shifts in conserved residues and an enhanced view of the protein interior.
J Am Chem Soc,
128,
15108-15110.
PubMed id:
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Date:
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06-Oct-06
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Release date:
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05-Dec-06
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PROCHECK
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Headers
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References
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O87798
(O87798_STUST) -
Toluene o-xylene monooxygenase oxygenase subunit TouA from Stutzerimonas stutzeri
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Seq:
Struc:
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498 a.a.
491 a.a.
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J Am Chem Soc
128:15108-15110
(2006)
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PubMed id:
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X-ray crystal structures of manganese(II)-reconstituted and native toluene/o-xylene monooxygenase hydroxylase reveal rotamer shifts in conserved residues and an enhanced view of the protein interior.
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M.S.McCormick,
M.H.Sazinsky,
K.L.Condon,
S.J.Lippard.
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ABSTRACT
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We report the X-ray crystal structures of native and manganese(II)-reconstituted
toluene/o-xylene monooxygenase hydroxylase (ToMOH) from Pseudomonas stutzeri OX1
to 1.85 and 2.20 A resolution, respectively. The structures reveal that
reduction of the dimetallic active site is accompanied by a carboxylate shift
and alteration of the coordination environment for dioxygen binding and
activation. A rotamer shift in a strategically placed asparagine 202 accompanies
dimetallic center reduction and is proposed to influence protein component
interactions. This rotamer shift is conserved between ToMOH and the
corresponding residue in methane monooxygenase hydroxylase (MMOH). Previously
unidentified hydrophobic pockets similar to those present in MMOH are assigned.
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Literature references that cite this PDB file's key reference
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PubMed id
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Reference
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K.Lasker,
A.Sali,
and
H.J.Wolfson
(2010).
Determining macromolecular assembly structures by molecular docking and fitting into an electron density map.
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Proteins,
78,
3205-3211.
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J.M.Bollinger,
and
J.B.Broderick
(2009).
Frontiers in enzymatic C-H-bond activation.
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Curr Opin Chem Biol,
13,
51-57.
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S.Friedle,
and
S.J.Lippard
(2009).
Synthesis, Characterization, and Oxygenation Studies of Carboxylate-Bridged Diiron(II) Complexes with Aromatic Substrates Tethered to Pyridine Ligands and the Formation of a Unique Trinuclear Complex.
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Eur J Inorg Chem,
2009,
5506-5515.
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L.J.Bailey,
J.G.McCoy,
G.N.Phillips,
and
B.G.Fox
(2008).
Structural consequences of effector protein complex formation in a diiron hydroxylase.
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Proc Natl Acad Sci U S A,
105,
19194-19198.
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PDB codes:
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R.Feingersch,
J.Shainsky,
T.K.Wood,
and
A.Fishman
(2008).
Protein engineering of toluene monooxygenases for synthesis of chiral sulfoxides.
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Appl Environ Microbiol,
74,
1555-1566.
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L.J.Murray,
R.García-Serres,
M.S.McCormick,
R.Davydov,
S.G.Naik,
S.H.Kim,
B.M.Hoffman,
B.H.Huynh,
and
S.J.Lippard
(2007).
Dioxygen activation at non-heme diiron centers: oxidation of a proximal residue in the I100W variant of toluene/o-xylene monooxygenase hydroxylase.
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Biochemistry,
46,
14795-14809.
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PDB code:
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L.J.Murray,
S.G.Naik,
D.O.Ortillo,
R.García-Serres,
J.K.Lee,
B.H.Huynh,
and
S.J.Lippard
(2007).
Characterization of the arene-oxidizing intermediate in ToMOH as a diiron(III) species.
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J Am Chem Soc,
129,
14500-14510.
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M.H.Sazinsky,
P.W.Dunten,
M.S.McCormick,
A.DiDonato,
and
S.J.Lippard
(2006).
X-ray structure of a hydroxylase-regulatory protein complex from a hydrocarbon-oxidizing multicomponent monooxygenase, Pseudomonas sp. OX1 phenol hydroxylase.
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Biochemistry,
45,
15392-15404.
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PDB codes:
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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.
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Links
