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PDBsum entry 1wrs
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Complex (operon repressor/peptide)
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PDB id
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1wrs
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Contents |
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* Residue conservation analysis
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References listed in PDB file
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Key reference
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Title
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Refined solution structures of the escherichia coli trp holo- And aporepressor.
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Authors
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D.Zhao,
C.H.Arrowsmith,
X.Jia,
O.Jardetzky.
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Ref.
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J Mol Biol, 1993,
229,
735-746.
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PubMed id
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Abstract
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The solution structures of the trp-repressor from Escherichia coli in both the
liganded (holo-) and unliganded (apo-) form, have been refined by restrained
molecular dynamics with simulated annealing using the program XPLOR and
additional experimental constraints. The ensemble of refined holorepressor
structures have a root-mean-square deviation (r.m.s.d.) of 0.8 A relative to the
average structure for the backbone of the dimer core (helices A, B, C, A', B',
C') and 2.5 A for the helix-turn-helix DNA-binding domain (helices D and E). The
corresponding values for the aporepressor are 0.9 A for the backbone of the
ABC-dimer core and 3.2 A for the DE helix-turn-helix. The r.m.s.d. of the
average structures from the corresponding crystal structures are 2.3 A for the
holorepressor ABC core and 4.2 A for its DE region; 2.3 A for the aporepressor
core and 5.5 A for its DE region. The relative disorder of the DNA-binding
domain is reflected in a number of experimental parameters including
substantially more rapid backbone proton exchange rates, exchange-limited
relaxation times and crystallographic B-factors. The stabilizing effect of the
L-Trp ligand is evident in these measurements, as it is in the higher precision
of the holorepressor structure.
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Secondary reference #1
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Title
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The solution structures of the trp repressor-Operator DNA complex.
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Authors
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H.Zhang,
D.Zhao,
M.Revington,
W.Lee,
X.Jia,
C.Arrowsmith,
O.Jardetzky.
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Ref.
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J Mol Biol, 1994,
238,
592-614.
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PubMed id
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Secondary reference #2
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Title
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Sequential simulated annealing: an efficient procedure for structural refinement based on nmr constraints
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Authors
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D.Zhao,
O.Jardetzky.
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Ref.
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j phys chem, 1993,
97,
3007.
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Secondary reference #3
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Title
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The solution structures of escherichia coli trp repressor and trp aporepressor at an intermediate resolution.
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Authors
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C.Arrowsmith,
R.Pachter,
R.Altman,
O.Jardetzky.
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Ref.
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Eur J Biochem, 1991,
202,
53-66.
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PubMed id
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Secondary reference #4
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Title
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Sequence-Specific 1h nmr assignments and secondary structure in solution of escherichia coli trp repressor.
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Authors
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C.H.Arrowsmith,
R.Pachter,
R.B.Altman,
S.B.Iyer,
O.Jardetzky.
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Ref.
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Biochemistry, 1990,
29,
6332-6341.
[DOI no: ]
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PubMed id
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Secondary reference #5
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Title
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Nmr assignments for the amino-Terminal residues of trp repressor and their role in DNA binding.
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Authors
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C.H.Arrowsmith,
J.Carey,
L.Treat-Clemons,
O.Jardetzky.
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Ref.
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Biochemistry, 1989,
28,
3875-3879.
[DOI no: ]
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PubMed id
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