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PDBsum entry 1tur
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Serine proteinase inhibitor
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PDB id
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1tur
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References listed in PDB file
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Key reference
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Title
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Solution structure of turkey ovomucoid third domain as determined from nuclear magnetic resonance data.
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Authors
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A.M.Krezel,
P.Darba,
A.D.Robertson,
J.Fejzo,
S.Macura,
J.L.Markley.
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Ref.
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J Mol Biol, 1994,
242,
203-214.
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PubMed id
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Note In the PDB file this reference is
annotated as "TO BE PUBLISHED".
The citation details given above were identified by an automated
search of PubMed on title and author
names, giving a
perfect match.
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Abstract
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The solution structure of the 56 amino acid residue turkey ovomucoid third
domain was determined by n.m.r. methods. Of the 661 distance constraints used in
the calculations, 120 were determined by quadratic approximation of the
cross-relaxation rates. The remaining constraints were crudely estimated from a
more standard analysis of NOESY spectra. Additionally, 29 torsion angle
constraints, 17 hydrogen bonds, and three disulfide bridges were used in the
structure calculations. Stereospecific assignments were accomplished for 24
beta-methylene groups and six isopropyl methyl groups (43% chiral assignments).
The addition of more accurate distance constraints to the distance
geometry/simulated annealing approach resulted in a significant reduction in the
dispersion of calculated backbone torsion angles and root-mean-square deviations
between structures. Detailed comparisons have been made between the n.m.r.
structures of OMTKY3 and published X-ray structures of the same protein and of
closely related avian ovomucoid third domains. The refinement with more accurate
distance constraints reduced differences between families of the n.m.r. and the
X-ray structures.
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