Journal Issue - Volume 9 Issue 5 (2000)
Removal of the N‐terminal hexapeptide from human β2‐microglobulin facilitates protein aggregation and fibril formation
- G. Esposito, R. Michelutti, G. Verdone, P. Viglino, H. Hern ÁNdez, C. V. Robinson, A. Amoresano, F. Dal Piaz, M. Monti, P. Pucci, P. Mangione, M. Stoppini, G. Merlini, G. Ferri, V. Bellotti
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.831 (p 831-845)
Abstract The solution structure and stability of N‐terminally truncated β2‐microglobulin (δN6β2‐m), the major modification in ex vivo fibrils, have been investigated by a variety of biophysical techniques. The results show that δN6β2‐m has a free energy of stabilization that is reduced by 2.5 kcal/mol compared to the intact protein. Hydrogen exchange of a mixture of the truncated and full‐length proteins at μM concentrations at pH...
The structure and dynamics in solution of Cu(I) pseudoazurin from Paracoccus pantotrophus
- Gary S. Thompson, Sheena E. Radford, Yun‐Chung Leung, Christina Redfield, Stuart J. Ferguson
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.846 (p 846-858)
Abstract The solution structure and backbone dynamics of Cu(I) pseudoazurin, a 123 amino acid electron transfer protein from Paracoccus pantotrophus, have been determined using NMR methods. The structure was calculated to high precision, with a backbone RMS deviation for secondary structure elements of 0.35 ± 0.06 A, using 1,498 distance and 55 torsion angle constraints. The protein has a double‐wound Greek‐key fold with two α‐helices toward...
Binding of Zn 2+ loop allosterically attenuates the activity of factor VIIa and reduces its affinity for tissue factor
- Lars C. Petersen, Per‐Ola Freskg Ård, Egon Persson, Ole H. Olsen, Lars S. Nielsen
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.859 (p 859-866)
Abstract The protease domain of coagulation factor VIIa (FVIIa) is homologous to trypsin with a similar active site architecture. The catalytic function of FVIIa is regulated by allosteric modulations induced by binding of divalent metal ions and the cofactor tissue factor (TF). To further elucidate the mechanisms behind these transformations, the effects of Zn2+ binding to FVIIa in the free form and in complex with TF were investigated....
Conformational transitions and fibrillation mechanism of human calcitonin as studied by high‐resolution solid‐state 13 C NMR
- Miya Kamihira, Akira Naito, Satoru Tuzi, Hazime Saitô, Atsuko Y. Nosaka
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.867 (p 867-877)
Abstract Conformational transitions of human calcitonin (hCT) during fibril formation in the acidic and neutral conditions were investigated by high‐resolution solid‐state 13C NMR spectroscopy. In aqueous acetic acid solution (pH 3.3), a local α‐helical form is present around Gly10, whereas a random coil form is dominant as viewed from Phe22, Ala26, and Ala31 in the monomer form on the basis of the 13C chemical shifts. On the other hand, a...
Ser45 plays an important role in managing both the equilibrium and transition state energetics of the streptavidin—biotin system
- David E. Hyre, Patrick S. Stayton, Isolde Le Trong, Stefanie Freitag, Ronald E. Stenkamp
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.878 (p 878-885)
Abstract The contribution of the Ser45 hydrogen bond to biotin binding activation and equilibrium thermodynamics was investigated by biophysical and X‐ray crystallographic studies. The S45A mutant exhibits a 1,700‐fold greater disso‐ciation rate and 907‐fold lower equilibrium affinity for biotin relative to wild‐type streptavidin at 37dGC, indicating a crucial role in binding energetics. The crystal structure of the biotin‐bound...
Conformational flexibility in the apolipoprotein E amino‐terminal domain structure determined from three new crystal forms: Implications for lipid binding
- Brent W. Segelke, Michael Forstner, Mark Knapp, Sergei D. Trakhanov, Sean Parkin, Yvonne M. Newhouse, Henry D. Bellamy, Karl H. Weisgraber, Bernhard Rupp
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.886 (p 886-897)
Abstract An amino‐terminal fragment of human apolipoprotein E3 (residues 1‐165) has been expressed and crystallized in three different crystal forms under similar crystallization conditions. One crystal form has nearly identical cell dimensions to the previously reported orthorhombic (P212121) crystal form of the amino‐terminal 22 kDa fragment of apolipoprotein E (residues 1‐191). A second orthorhombic crystal form (P212121 with...
Evidence for phosphorylation‐dependent conformational changes in methylesterase CheB
- Ganesh S. Anand, Paul N. Goudreau, J. Kathleen Lewis, Ann M. Stock
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.898 (p 898-906)
Abstract Enhancement of methylesterase activity of the response regulator CheB is dependent upon phosphorylation of the N‐terminal regulatory domain of the enzyme. This domain plays a dual role in the regulation of methylesterase activity with an inhibitory effect in the unphosphorylated state and a stimulatory effect in the phosphorylated state. Structural studies of the unphosphorylated state have indicated that the basis for the...
Alternate modes of binding in two crystal structures of alkaline phosphatase‐inhibitor complexes
- Kathleen M. Holtz, Evan R. Kantrowitz, Boguslaw Stec, Jason K. Myers, Stephen M. Antonelli, Theodore S. Widlanski
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.907 (p 907-915)
Abstract Two high resolution crystal structures of Escherichia coli alkaline phosphatase (AP) in the presence of phosphonate inhibitors are reported. The phosphonate compounds, phosphonoacetic acid (PAA) and mercaptomethylphosphonic acid (MMP), bind competitively to AP with dissociation constants of 5.5 and 0.6 mM, respectively. The structures of the complexes of AP with PAA and MMP were refined at high resolution to crystallographic R‐values...
Comparative model building of interleukin‐7 using interleukin‐4 as a template: A structural hypothesis that displays atypical surface chemistry in helix D important for receptor activation
- Larry Cosenza, John R. Murphy, Temple Smith, Andrew Rosenbach, James V. White
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.916 (p 916-926)
Abstract Using a combination of theoretical sequence structure recognition predictions and experimental disulfide bond assignments, a three‐dimensional (3D) model of human interleukin‐7 (hIL‐7) was constructed that predicts atypical surface chemistry in helix D that is important for receptor activation. A 3D model of hIL‐7 was built using the X‐ray crystal structure of interleukin‐4 (IL‐4) as a template (Walter MR et al., 1992, J...
The energetics of phosphate binding to a protein complex
- Stephen P. Edgcomb, Brian M. Baker, Kenneth P. Murphy
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.927 (p 927-933)
Abstract The heat of binding the serine protease, porcine pancreatic elastase, by the inhibitor, turkey ovomucoid third domain, is dependent on the presence of inorganic phosphate. This dependence is saturable and can be accurately modeled as the phosphate binding to a single site on the protease‐inhibitor complex; thus, the elastase‐ovomucoid system provides a unique opportunity to study phosphate‐protein interactions. We have used...
Role of Lys335 in the metastability and function of inhibitory serpins
- Hana Im, Myeong‐Hee Yu
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.934 (p 934-941)
Abstract The native form of inhibitory serpins (serine protease inhibitors) is not in the thermodynamically most stable state but in a metastable state, which is critical to inhibitory functions. To understand structural basis and functional roles of the native metastability of inhibitory serpins, we have been characterizing stabilizing mutations of human α1‐antitrypsin, a prototype inhibitory serpin. One of the sites that has been shown to be...
Synthesis and NMR solution structure of an α‐helical hairpin stapled with two disulfide bridges
- Philippe Barthe, Christian Roumestand, Sandrine Rochette, Claudio Vita
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.942 (p 942-955)
Abstract Helical coiled‐coils and bundles are some of the most common structural motifs found in proteins. Design and synthesis of α‐helical motifs may provide interesting scaffolds that can be useful as host structures to display functional sites, thus allowing the engineering of novel functional miniproteins. We have synthesized a 38‐amino acid peptide, α2p8, encompassing the α‐helical hairpin present in the structure of p8MTCP1, as an...
Crystal structure of the antibiotic albomycin in complex with the outer membrane transporter FhuA
- Andrew D. Ferguson, James W. Coulton, Kay Diederichs, Wolfram Welte, Volkmar Braun, Hans‐Peter Fiedler
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.956 (p 956-963)
Abstract One alternative method for drug delivery involves the use of siderophore‐antibiotic conjugates. These compounds represent a specific means by which potent antimicrobial agents, covalently linked to iron‐chelating siderophores, can be actively transported across the outer membrane of Gram‐negative bacteria. These “Trojan Horse” antibiotics may prove useful as an efficient means to combat multi‐drug–resistant bacterial...
Peptide and metal ion‐dependent association of isolated helix‐loop‐helix calcium binding domains: Studies of thrombic fragments of calmodulin
- Richard D. Brokx, Hans J. Vogel
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.964 (p 964-975)
Abstract Calmodulin (CaM), the ubiquitous, eukaryotic, bilobal calcium‐binding regulatory protein, has been cleaved by thrombin to create two fragments, TM1 (1‐106) and TM2 (107‐148). NMR and CD results indicate that TM1 and TM2 can associate in the presence of Ca2+ to form a complex similar to native CaM, even though the cleavage site is not in the linker region between two helix‐loop‐helix domains, but rather within an α‐helix....
NMR solution structure of Apis mellifera chymotrypsin/cathepsin G inhibitor‐1 (AMCI‐1): Structural similarity with Ascaris protease inhibitors
- Tomasz Cierpicki, Jacek Bania, Jacek Otlewski
- Published in Wiley Interscience on Dec 31, 2008
- DOI: 10.1110/ps.9.5.976 (p 976-984)
Abstract The three‐dimensional structure of the 56 residue polypeptide Apis mellifera chymotrypsin/cathepsin G inhibitor 1 (AMCI‐1) isolated from honey bee hemolymph was calculated based on 730 experimental NMR restraints. It consists of two approximately perpendicular β‐sheets, several turns, and a long exposed loop that includes the protease binding site. The lack of extensive secondary structure features or hydrophobic core is compensated by...




