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| [[Image:1mmc.gif|left|200px]] | | {{Seed}} |
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| {{STRUCTURE_1mmc| PDB=1mmc | SCENE= }} | | {{STRUCTURE_1mmc| PDB=1mmc | SCENE= }} |
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| '''1H NMR STUDY OF THE SOLUTION STRUCTURE OF AC-AMP2'''
| | ===1H NMR STUDY OF THE SOLUTION STRUCTURE OF AC-AMP2=== |
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| ==Overview==
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| The conformation in water of antimicrobial protein 2 from Amaranthus caudatus (Ac-AMP2) was determined using 1H NMR, DIANA and restrained molecular modeling. Ac-AMP2 is a 30 amino acid residue, lectin-like protein that specifically binds to chitin, a polymer of beta-1,4-N-acetyl-D-glucosamine. After sequence specific resonance assignments, a total of 198 distance restraints were collected from 2D NOESY buildup spectra at 500 MHz at pH 2, supplemented by a 2D NOESY spectrum at 600 MHz. The location of the three previously unassigned disulfide bridges was determined from preliminary DIANA structures, using a statistical analysis of intercystinyl distances. The solution structure of Ac-AMP2 is presented as a set of 26 DIANA structures, further refined by restrained molecular dynamics using a simulated annealing protocol in the AMBER force field, with a backbone r.m.s.d. for the well defined Glu3-Cys28 segment of 0.69(+/-0.12) angstroms. The main structural element is an antiparallel beta-sheet from Met13 to Lys23 including a betaI-turn over Gln17-Phel8 with a beta bulge at Gly19. In addition, a beta'I turn over Arg6-Gly7, a beta'III turn over Ser11-Gly12 and a helical turn from Gly24 to Cys28 are identified. This structure is very similar to the equivalent regions of the X-ray structure of wheat germ agglutinin and the NMR structure of hevein.
| | The line below this paragraph, {{ABSTRACT_PUBMED_8627629}}, adds the Publication Abstract to the page |
| | (as it appears on PubMed at http://www.pubmed.gov), where 8627629 is the PubMed ID number. |
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| | {{ABSTRACT_PUBMED_8627629}} |
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| ==About this Structure== | | ==About this Structure== |
| 1MMC is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Amaranthus_caudatus Amaranthus caudatus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1MMC OCA]. | | 1MMC is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Amaranthus_caudatus Amaranthus caudatus]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1MMC OCA]. |
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| ==Reference== | | ==Reference== |
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| [[Category: Wyns, L.]] | | [[Category: Wyns, L.]] |
| [[Category: Antifungal antimicrobial]] | | [[Category: Antifungal antimicrobial]] |
| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 01:24:57 2008'' | | |
| | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Jul 3 00:21:12 2008'' |
