Journal Issue - Volume 15 Issue 1 (January 2006)
Breaking symmetry in protein dimers: Designs and functions
- Jerry H. Brown
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051658406 (p 1-13)
Abstract Symmetry, and in particular point group symmetry, is generally the rule for the global arrangement between subunits in homodimeric and other oligomeric proteins. The structures of fragments of tropomyosin and bovine fibrinogen are recently published examples, however, of asymmetric interactions between chemically identical chains. Their departures from strict twofold symmetry are based on simple and generalizable chemical...
A new generation of protein display scaffolds for molecular recognition
- Ralf J. Hosse, Achim Rothe, Barbara E. Power
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051817606 (p 14-27)
Abstract Engineered antibodies and their fragments are invaluable tools for a vast range of biotechnological and pharmaceutical applications. However, they are facing increasing competition from a new generation of protein display scaffolds, specifically selected for binding virtually any target. Some of them have already entered clinical trials. Most of these nonimmunoglobulin proteins are involved in natural binding events and...
A structural model of an amyloid protofilament of Transthyretin
- Bruno E. Correia, Nuno Loureiro‐Ferreira, J. Rui Rodrigues, Rui M.M. Brito
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051787106 (p 28-32)
Abstract A docking‐and‐alignment protocol was devised in order to build amyloid protofilaments of Transthyretin (TTR), starting from partially disrupted TTR monomeric subunits and based on experimentally available information. The docking approach is driven by a combination of shape complementarity and energetic criteria, and uses constraints derived from experimental data obtained for the fibrillar state. The dimeric structures...
Enthalpic and entropic contributions mediate the role of disulfide bonds on the conformational stability of Interleukin‐4
- Daniela C. Vaz, J. Rui Rodrigues, Walter Sebald, Christopher M. Dobson, Rui M.M. Brito
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051593306 (p 33-44)
Abstract The role of disulfide bridges in the structure, stability, and folding pathways of proteins has been the subject of wide interest in the fields of protein design and engineering. However, the relative importance of entropic and enthalpic contributions for the stabilization of proteins provided by disulfides is not always clear. Here, we perform a detailed analysis of the role of disulfides in the conformational stability of...
Re‐engineering redox‐sensitive green fluorescent protein for improved response rate
- Mark B. Cannon, S. James Remington
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051734306 (p 45-57)
Abstract Redox‐sensitive variants of the green fluorescent protein (roGFPs) had previously been developed that allow “real‐time” monitoring of the redox status of cellular compartments by fluorescence excitation ratiometry. However, the response time of these probes limits the study of certain rapid oxidative events, such as H2O2 bursts in cell signaling. The substitution of up to three positively charged amino acids adjacent to the introduced...
Human soluble epoxide hydrolase: Structural basis of inhibition by 4‐(3‐cyclohexylureido)‐carboxylic acids
- German A. Gomez, Christophe Morisseau, Bruce D. Hammock, David W. Christianson
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051720206 (p 58-64)
Abstract X‐ray crystal structures of human soluble epoxide hydrolase (sEH) complexed with four different dialkylurea inhibitors bearing pendant carboxylate “tails” of varying length have been determined at 2.3–3.0 Å resolution. Similarities among inhibitor binding modes reinforce the proposed roles of Y381 and/or Y465 as general acids that protonate the epoxide ring of the substrate in concert with nucleophilic attack of D333 at the...
An examination of dynamics crosstalk between SH2 and SH3 domains by hydrogen/deuterium exchange and mass spectrometry
- James M. Hochrein, Edwina C. Lerner, Anthony P. Schiavone, Thomas E. Smithgall, John R. Engen
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051782206 (p 65-73)
Abstract The ability of proteins to regulate their own enzymatic activity can be facilitated by changes in structure or protein dynamics in response to external regulators. Because many proteins contain SH2 and SH3 domains, transmission of information between the domains is a potential method of allosteric regulation. To determine if ligand binding to one modular domain may alter structural dynamics in an adjacent domain, allowing...
Stereoelectronic effects on polyproline conformation
- Jia‐Cherng Horng, Ronald T. Raines
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051779806 (p 74-83)
Abstract The polyproline type II (PPII) helix is a prevalent conformation in both folded and unfolded proteins, and is known to play important roles in a wide variety of biological processes. Polyproline itself can also form a type I (PPI) helix, which has a disparate conformation. Here, we use derivatives of polyproline, (Pro)10, (Hyp)10, (Flp)10, and (flp)10, where Hyp is (2S,4R)‐4‐hydroxyproline, Flp is (2S,4R)‐4‐fluoroproline, and flp is...
Site‐2 protease regulated intramembrane proteolysis: Sequence homologs suggest an ancient signaling cascade
- Lisa N. Kinch, Krzysztof Ginalski, Nick V. Grishin
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051766506 (p 84-93)
Abstract Site‐2 proteases (S2Ps) form a large family of membrane‐embedded metalloproteases that participate in cellular signaling pathways through sequential cleavage of membrane‐tethered substrates. Using sequence similarity searches, we extend the S2P family to include remote homologs that help define a conserved structural core consisting of three predicted transmembrane helices with traditional metalloprotease functional motifs...
Diagnostic cross‐linking of paired cysteine pairs demonstrates homologous structures for two chemoreceptor domains with low sequence identity
- Wing‐Cheung Lai, Megan L. Peach, Terry P. Lybrand, Gerald L. Hazelbauer
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051802806 (p 94-101)
Abstract Hundreds of bacterial chemoreceptors from many species have periplasmic, ligand‐recognition domains of approximately the same size, but little or no sequence identity. The only structure determined is for the periplasmic domain of chemoreceptor Tar from Salmonella and Escherichia coli. Do sequence‐divergent but similarly sized chemoreceptor periplasmic domains have related structures? We addressed this issue for the...
Frequencies of hydrophobic and hydrophilic runs and alternations in proteins of known structure
- Russell Schwartz, Jonathan King
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051741806 (p 102-112)
Abstract Patterns of alternation of hydrophobic and polar residues are a profound aspect of amino acid sequences, but a feature not easily interpreted for soluble proteins. Here we report statistics of hydrophobicity patterns in proteins of known structure in a current protein database as compared with results from earlier, more limited structure sets. Previous studies indicated that long hydrophobic runs, common in membrane...
A simple electrostatic switch important in the activation of type I protein kinase A by cyclic AMP
- Dominico Vigil, Jung‐Hsin Lin, Christoph A. Sotriffer, Juniper K. Pennypacker, J. Andrew McCammon, Susan S. Taylor
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051723606 (p 113-121)
Abstract Cyclic AMP activates protein kinase A by binding to an inhibitory regulatory (R) subunit and releasing inhibition of the catalytic (C) subunit. Even though crystal structures of regulatory and catalytic subunits have been solved, the precise molecular mechanism by which cyclic AMP activates the kinase remains unknown. The dynamic properties of the cAMP binding domain in the absence of cAMP or C‐subunit are also unknown....
Identification of surface‐exposed components of MOMP of Chlamydia trachomatis serovar F
- Yan Wang, Eric A. Berg, Xiaogeng Feng, Li Shen, Temple Smith, Catherine E. Costello, You‐Xun Zhang
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051616206 (p 122-134)
Abstract The identification of surface‐exposed components of the major outer membrane protein (MOMP) of Chlamydia is critical for modeling its three‐dimensional structure, as well as for understanding the role of MOMP in the pathogenesis of Chlamydia‐related diseases. MOMP contains four variable domains (VDs). In this study, VDII and VDIV of Chlamydia trachomatis serovar F were proven to be surface‐located by immuno‐dot blot assay using monoclonal...
Subtle but variable conformational rearrangements in the replication cycle of Sulfolobus solfataricus P2 DNA polymerase IV (Dpo4) may accommodate lesion bypass
- Yanli Wang, Karunesh Arora, Tamar Schlick
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051726906 (p 135-151)
Abstract The possible conformational changes of DNA polymerase IV (Dpo4) before and after the nucleotidyl‐transfer reaction are investigated at the atomic level by dynamics simulations to gain insight into the mechanism of low‐fidelity polymerases and identify slow and possibly critical steps. The absence of significant conformational changes in Dpo4 before chemistry when the incoming nucleotide is removed supports the notion that...
Crystal structure of TBP‐interacting protein ( Tk ‐TIP26) and implications for its inhibition mechanism of the interaction between TBP and TATA‐DNA
- Takahiko Yamamoto, Tomoki Matsuda, Tsuyoshi Inoue, Hiroyoshi Matsumura, Masaaki Morikawa, Shigenori Kanaya, Yasushi Kai
- Published in Wiley Interscience on Jan 01, 2009
- DOI: 10.1110/ps.051788906 (p 152-161)
Abstract TATA‐binding protein (TBP)‐interacting protein from the hyperthermophilic archaeon Thermococcus kodakaraensis strain KOD1 (Tk‐TIP26) is a possible transcription regulatory protein in Thermococcales. Here, we report the crystal structure of Tk‐TIP26 determined at 2.3 Å resolution with multiple‐wavelength anomalous dispersion (MAD) method. The overall structure of Tk‐TIP26 consists of two domains. The N‐terminal domain forms an α/β structure, in...




