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[[Image:1t9e.gif|left|200px]]
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{{STRUCTURE_1t9e|  PDB=1t9e  |  SCENE=  }}
'''NMR solution structure of a disulfide analogue of the cyclic sunflower trypsin inhibitor SFTI-1'''


==NMR solution structure of a disulfide analogue of the cyclic sunflower trypsin inhibitor SFTI-1==
<StructureSection load='1t9e' size='340' side='right'caption='[[1t9e]]' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1t9e]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Helianthus_annuus Helianthus annuus]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1T9E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1T9E FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR, 20 models</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ABA:ALPHA-AMINOBUTYRIC+ACID'>ABA</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1t9e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1t9e OCA], [https://pdbe.org/1t9e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1t9e RCSB], [https://www.ebi.ac.uk/pdbsum/1t9e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1t9e ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/SFTI1_HELAN SFTI1_HELAN] Inhibits trypsin, cathepsin G, elastase, chymotrypsin and thrombin. Does not inhibit factor Xa.<ref>PMID:10390350</ref>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
SFTI-1 is a novel 14 amino acid peptide comprised of a circular backbone constrained by three proline residues, a hydrogen-bond network, and a single disulfide bond. It is the smallest and most potent known Bowman-Birk trypsin inhibitor and the only one with a cyclic peptidic backbone. The solution structure of [ABA(3,11)]SFTI-1, a disulfide-deficient analogue of SFTI-1, has been determined by (1)H NMR spectroscopy. The lowest energy structures of native SFTI-1 and [ABA(3,11)]SFTI-1 are similar and superimpose with a root-mean-square deviation over the backbone and heavy atoms of 0.26 +/- 0.09 and 1.10 +/- 0.22 A, respectively. The disulfide bridge in SFTI-1 was found to be a minor determinant for the overall structure, but its removal resulted in a slightly weakened hydrogen-bonding network. To further investigate the role of the disulfide bridge, NMR chemical shifts for the backbone H(alpha) protons of two disulfide-deficient linear analogues of SFTI-1, [ABA(3,11)]SFTI-1[6,5] and [ABA(3,11)]SFTI-1[1,14] were measured. These correspond to analogues of the cleavage product of SFTI-1 and a putative biosynthetic precursor, respectively. In contrast with the cyclic peptide, it was found that the disulfide bridge is essential for maintaining the structure of these open-chain analogues. Overall, the hydrogen-bond network appears to be a crucial determinant of the structure of SFTI-1 analogues.


==Overview==
Disulfide bond mutagenesis and the structure and function of the head-to-tail macrocyclic trypsin inhibitor SFTI-1.,Korsinczky ML, Clark RJ, Craik DJ Biochemistry. 2005 Feb 1;44(4):1145-53. PMID:15667208<ref>PMID:15667208</ref>
SFTI-1 is a novel 14 amino acid peptide comprised of a circular backbone constrained by three proline residues, a hydrogen-bond network, and a single disulfide bond. It is the smallest and most potent known Bowman-Birk trypsin inhibitor and the only one with a cyclic peptidic backbone. The solution structure of [ABA(3,11)]SFTI-1, a disulfide-deficient analogue of SFTI-1, has been determined by (1)H NMR spectroscopy. The lowest energy structures of native SFTI-1 and [ABA(3,11)]SFTI-1 are similar and superimpose with a root-mean-square deviation over the backbone and heavy atoms of 0.26 +/- 0.09 and 1.10 +/- 0.22 A, respectively. The disulfide bridge in SFTI-1 was found to be a minor determinant for the overall structure, but its removal resulted in a slightly weakened hydrogen-bonding network. To further investigate the role of the disulfide bridge, NMR chemical shifts for the backbone H(alpha) protons of two disulfide-deficient linear analogues of SFTI-1, [ABA(3,11)]SFTI-1[6,5] and [ABA(3,11)]SFTI-1[1,14] were measured. These correspond to analogues of the cleavage product of SFTI-1 and a putative biosynthetic precursor, respectively. In contrast with the cyclic peptide, it was found that the disulfide bridge is essential for maintaining the structure of these open-chain analogues. Overall, the hydrogen-bond network appears to be a crucial determinant of the structure of SFTI-1 analogues.


==About this Structure==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
1T9E is a [[Single protein]] structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1T9E OCA].
</div>
<div class="pdbe-citations 1t9e" style="background-color:#fffaf0;"></div>


==Reference==
==See Also==
Disulfide bond mutagenesis and the structure and function of the head-to-tail macrocyclic trypsin inhibitor SFTI-1., Korsinczky ML, Clark RJ, Craik DJ, Biochemistry. 2005 Feb 1;44(4):1145-53. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15667208 15667208]
*[[Trypsin inhibitor 3D structures|Trypsin inhibitor 3D structures]]
[[Category: Single protein]]
== References ==
[[Category: Clark, R J.]]
<references/>
[[Category: Craik, D J.]]
__TOC__
[[Category: Korsinczky, M L.J.]]
</StructureSection>
[[Category: Disulfide mutant]]
[[Category: Helianthus annuus]]
[[Category: Nmr]]
[[Category: Large Structures]]
[[Category: Sunflower trypsin inhibitor]]
[[Category: Clark RJ]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 09:42:09 2008''
[[Category: Craik DJ]]
[[Category: Korsinczky MLJ]]
Retrieved from "https://proteopedia.org/1t9e"