2gva

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{{STRUCTURE_2gva| PDB=2gva | SCENE= }}
{{STRUCTURE_2gva| PDB=2gva | SCENE= }}
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'''REFINED SOLUTION STRUCTURE OF THE TYR 41--> HIS MUTANT OF THE M13 GENE V PROTEIN. A COMPARISON WITH THE CRYSTAL STRUCTURE'''
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===REFINED SOLUTION STRUCTURE OF THE TYR 41--> HIS MUTANT OF THE M13 GENE V PROTEIN. A COMPARISON WITH THE CRYSTAL STRUCTURE===
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==Overview==
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The three-dimensional solution structure of mutant Tyr41--&gt;His of the single-stranded DNA binding protein encoded by gene V of the filamentous bacteriophage M13 has been refined in two stages. The first stage involved the collection of additional NOE-based distance constraints, which were then used in eight cycles of back-calculations and structure calculations. The structures of the gene V protein dimers were calculated using simulated annealing, employing restrained molecular dynamics with a geometric force field. In the second stage of the refinement procedure, solvent was explicitly included during the dynamic calculations. A total of 30 structures was calculated for the protein, representing its solution structure in water. The first calculation step significantly improved the convergence of the structures, whereas the subsequent simulations in water made the structures physically more realistic. This is, for instance, illustrated by the number of hydrogen bonds formed in the molecule, which increased considerably upon going to aqueous solution. It is shown that the solution structure of the mutant gene V protein is nearly identical to the crystal structure of the wild-type molecule, except for the DNA-binding loop (residues 16-28). This antiparallel beta-hairpin is twisted and partially folded back towards the core of the protein in the NMR structure, whereas it is more extended and points away from the rest of the molecule in the X-ray structure. Unrestrained molecular dynamics calculations suggest that this latter conformation is energetically unstable in solution.
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(as it appears on PubMed at http://www.pubmed.gov), where 7556200 is the PubMed ID number.
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{{ABSTRACT_PUBMED_7556200}}
==About this Structure==
==About this Structure==
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2GVA is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Enterobacteria_phage_m13 Enterobacteria phage m13]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=1gva 1gva]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GVA OCA].
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2GVA is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Enterobacteria_phage_m13 Enterobacteria phage m13]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=1gva 1gva]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2GVA OCA].
==Reference==
==Reference==
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[[Category: Nilges, M.]]
[[Category: Nilges, M.]]
[[Category: Prompers, J J.]]
[[Category: Prompers, J J.]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 05:34:53 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 13:55:46 2008''

Revision as of 10:55, 28 July 2008

Image:2gva.png

Template:STRUCTURE 2gva

REFINED SOLUTION STRUCTURE OF THE TYR 41--> HIS MUTANT OF THE M13 GENE V PROTEIN. A COMPARISON WITH THE CRYSTAL STRUCTURE

Template:ABSTRACT PUBMED 7556200

About this Structure

2GVA is a Single protein structure of sequence from Enterobacteria phage m13. This structure supersedes the now removed PDB entry 1gva. Full experimental information is available from OCA.

Reference

Refined solution structure of the Tyr41-->His mutant of the M13 gene V protein. A comparison with the crystal structure., Prompers JJ, Folmer RH, Nilges M, Folkers PJ, Konings RN, Hilbers CW, Eur J Biochem. 1995 Sep 1;232(2):506-14. PMID:7556200

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