1pit

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[[Image:1pit.gif|left|200px]]
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{{Seed}}
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[[Image:1pit.png|left|200px]]
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{{STRUCTURE_1pit| PDB=1pit | SCENE= }}
{{STRUCTURE_1pit| PDB=1pit | SCENE= }}
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'''DETERMINATION OF A HIGH-QUALITY NUCLEAR MAGNETIC RESONANCE SOLUTION STRUCTURE OF THE BOVINE PANCREATIC TRYPSIN INHIBITOR AND COMPARISON WITH THREE CRYSTAL STRUCTURES'''
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===DETERMINATION OF A HIGH-QUALITY NUCLEAR MAGNETIC RESONANCE SOLUTION STRUCTURE OF THE BOVINE PANCREATIC TRYPSIN INHIBITOR AND COMPARISON WITH THREE CRYSTAL STRUCTURES===
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==Overview==
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A high-quality three-dimensional structure of the bovine pancreatic trypsin inhibitor (BPTI) in aqueous solution was determined by 1H nuclear magnetic resonance (n.m.r.) spectroscopy and compared to the three available high-resolution X-ray crystal structures. A newly collected input of 642 distance constraints derived from nuclear Overhauser effects and 115 dihedral angle constraints was used for the structure calculations with the program DIANA, followed by restrained energy minimization with the program AMBER. The BPTI solution structure is represented by a group of 20 conformers with an average root-mean-square deviation (RMSD) relative to the mean solution structure of 0.43 A for backbone atoms and 0.92 A for all heavy atoms of residues 2 to 56. The pairwise RMSD values of the three crystal structures relative to the mean solution structure are 0.76 to 0.85 A for the backbone atoms and 1.24 to 1.33 A for all heavy atoms of residues 2 to 56. Small local differences in backbone atom positions between the solution structure and the X-ray structures near residues 9, 25 to 27, 46 to 48 and 52 to 58, and conformational differences for individual amino acid side-chains were analyzed for possible correlations with intermolecular protein-protein contacts in the crystal lattices, using the pairwise RMSD values among the three crystal structures as a reference.
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The line below this paragraph, {{ABSTRACT_PUBMED_1383552}}, adds the Publication Abstract to the page
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(as it appears on PubMed at http://www.pubmed.gov), where 1383552 is the PubMed ID number.
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{{ABSTRACT_PUBMED_1383552}}
==About this Structure==
==About this Structure==
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1PIT is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1PIT OCA].
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1PIT is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1PIT OCA].
==Reference==
==Reference==
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[[Category: Orbons, L P.M.]]
[[Category: Orbons, L P.M.]]
[[Category: Wuthrich, K.]]
[[Category: Wuthrich, K.]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 05:07:48 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 11:58:24 2008''

Revision as of 08:58, 28 July 2008

Image:1pit.png

Template:STRUCTURE 1pit

DETERMINATION OF A HIGH-QUALITY NUCLEAR MAGNETIC RESONANCE SOLUTION STRUCTURE OF THE BOVINE PANCREATIC TRYPSIN INHIBITOR AND COMPARISON WITH THREE CRYSTAL STRUCTURES

Template:ABSTRACT PUBMED 1383552

About this Structure

1PIT is a Single protein structure of sequence from Bos taurus. Full experimental information is available from OCA.

Reference

Determination of a high-quality nuclear magnetic resonance solution structure of the bovine pancreatic trypsin inhibitor and comparison with three crystal structures., Berndt KD, Guntert P, Orbons LP, Wuthrich K, J Mol Biol. 1992 Oct 5;227(3):757-75. PMID:1383552

Page seeded by OCA on Mon Jul 28 11:58:24 2008

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