Journal Issue - Volume 17 Issue 8 (August 2008)
Allostery and cooperativity revisited
- Qiang Cui, Martin Karplus
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.03259908 (p 1295-1307)
Abstract Although phenomenlogical models that account for cooperativity in allosteric systems date back to the early and mid‐60's (e.g., the KNF and MWC models), there is resurgent interest in the topic due to the recent experimental and computational studies that attempted to reveal, at an atomistic level, how allostery actually works. In this review, using systems for which atomistic simulations have been carried out in our groups...
Kinetic barriers and the role of topology in protein and RNA folding
- Tobin R. Sosnick
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.036319.108 (p 1308-1318)
Abstract This review compares the folding behavior of proteins and RNAs. Topics covered include the role of topology in the determination of folding rates, major folding events including collapse, properties of denatured states, pathway heterogeneity, and the influence of the mode of initiation on the folding pathway.
NMR insights into a megadalton‐size protein self‐assembly
- Jeetender Chugh, Shilpy Sharma, Ramakrishna V. Hosur
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.035840.108 (p 1319-1325)
Abstract Protein self‐association is critical to many biological functions. However, atomic‐level structural characterization of these assemblies has remained elusive. In this report we present insights into the mechanistic details of the process of self‐association of the 136‐residue GTPase effector domain (GED) of the endocytic protein dynamin into a megadalton‐sized soluble mass. Our approach is based on NMR monitoring of...
Probing the binding mechanism and affinity of tanezumab, a recombinant humanized anti‐NGF monoclonal antibody, using a repertoire of biosensors
- Yasmina Noubia Abdiche, Dan Stephen Malashock, Jaume Pons
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.035402.108 (p 1326-1335)
Abstract We describe the use of four complementary biosensors (Biacore 3000, Octet QK, ProteOn XPR36, and KinExA 3000) in characterizing the kinetics of human nerve growth factor (NGF) binding to a humanized NGF‐neutralizing monoclonal antibody (tanezumab, formerly known as RN624). Tanezumab is a clinical candidate as a therapy for chronic pain. Our measurements were consistent with the NGF/tanezumab binding affinity being tighter...
The structure of an archaeal homodimeric ligase which has RNA circularization activity
- Mark Adrian Brooks, Laurence Meslet‐Cladiére, Marc Graille, Joëlle Kuhn, Karine Blondeau, Hannu Myllykallio, Herman van Tilbeurgh
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.035493.108 (p 1336-1345)
Abstract The genome of Pyrococcus abyssi contains two open reading frames encoding proteins which had been previously predicted to be DNA ligases, Pab2002 and Pab1020. We show that while the former is indeed a DNA ligase, Pab1020 had no effect on the substrate deoxyoligo‐ribonucleotides tested. Instead, Pab1020 catalyzes the nucleotidylation of oligo‐ribonucleotides in an ATP‐dependent reaction, suggesting that it is an RNA ligase....
The structural basis of proteolytic activation of bovine glutamate dehydrogenase
- John B. Carrigan, Paul C. Engel
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.034785.108 (p 1346-1353)
Abstract In this work, we re‐examine the previously reported phenomenon of the creation of a superactive glutamate dehydrogenase by proteolytic modification by chymotrypsin and explore the various discrepancies that came to light during those studies. We find that superactivation is caused by cleavage at the N terminus of the protein and not the C‐terminal allosteric site, as has previously been suggested. N‐terminal sequencing...
Computational study of the putative active form of protein Z (PZa): Sequence design and structural modeling
- Vasu Chandrasekaran, Chang Jun Lee, Robert E. Duke, Lalith Perera, Lee G. Pedersen
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.034801.108 (p 1354-1361)
Abstract Although protein Z (PZ) has a domain arrangement similar to the essential coagulation proteins FVII, FIX, FX, and protein C, its serine protease (SP)‐like domain is incomplete and does not exhibit proteolytic activity. We have generated a trial sequence of putative activated protein Z (PZa) by identifying amino acid mutations in the SP‐like domain that might reasonably resurrect the serine protease catalytic activity of PZ....
Crystal structure and mutagenic analysis of GDOsp, a gentisate 1,2‐dioxygenase from Silicibacter Pomeroyi
- Jia Chen, Wei Li, Mingzhu Wang, Guangyu Zhu, Dongqi Liu, Fei Sun, Ning Hao, Xuemei Li, Zihe Rao, Xuejun C. Zhang
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.035881.108 (p 1362-1373)
Abstract Dioxygenases catalyze dioxygen incorporation into various organic compounds and play a key role in the complex degradation pathway of mono‐ and polycyclic aromatic and hetero‐aromatic compounds. Here we report the crystal structure of gentisate 1,2‐dioxygenase from Silicibacter pomeroyi (GDOsp) at a 2.8 Å resolution. The enzyme possessed a conserved three‐dimensional structure of the bicupin family, forming a...
Novel protein folds and their nonsequential structural analogs
- Aysam Guerler, Ernst‐Walter Knapp
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.035469.108 (p 1374-1382)
Abstract Newly determined protein structures are classified to belong to a new fold, if the structures are sufficiently dissimilar from all other so far known protein structures. To analyze structural similarities of proteins, structure alignment tools are used. We demonstrate that the usage of nonsequential structure alignment tools, which neglect the polypeptide chain connectivity, can yield structure alignments with significant...
Crystal structures of Melanocarpus albomyces cellobiohydrolase Cel7B in complex with cello‐oligomers show high flexibility in the substrate binding
- Tarja Parkkinen, Anu Koivula, Jari Vehmaanperä, Juha Rouvinen
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.034488.108 (p 1383-1394)
Abstract Cellobiohydrolase from Melanocarpus albomyces (Cel7B) is a thermostable, single‐module, cellulose‐degrading enzyme. It has relatively low catalytic activity under normal temperatures, which allows structural studies of the binding of unmodified substrates to the native enzyme. In this study, we have determined the crystal structure of native Ma Cel7B free and in complex with three different cello‐oligomers: cellobiose (Glc2),...
Tissue transglutaminase modulates α‐synuclein oligomerization
- Ine M.J. Segers‐Nolten, Micha M.M. Wilhelmus, Gertjan Veldhuis, Bart D. van Rooijen, Benjamin Drukarch, Vinod Subramaniam
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.036103.108 (p 1395-1402)
Abstract We have studied the interaction of the enzyme tissue transglutaminase (tTG), catalyzing cross‐link formation between protein‐bound glutamine residues and primary amines, with Parkinson's disease‐associated α‐synuclein protein variants at physiologically relevant concentrations. We have, for the first time, determined binding affinities of tTG for wild‐type and mutant α‐synucleins using surface plasmon resonance approaches,...
What is the role of the second “structural” NADP + ‐binding site in human glucose 6‐phosphate dehydrogenase?
- Xiao‐Tao Wang, Ting Fai Chan, Veronica M.S. Lam, Paul C. Engel
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.035352.108 (p 1403-1411)
Abstract Human glucose 6‐phosphate dehydrogenase, purified after overexpression in E. coli, was shown to contain one molecule/subunit of acid‐extractable “structural” NADP+ and no NADPH. This tightly bound NADP+ was reduced by G6P, presumably following migration to the catalytic site. Gel‐filtration yielded apoenzyme, devoid of bound NADP+ but, surprisingly, still fully active. Mr of the main component of “stripped” enzyme by gel filtration was ∼100,000,...
Crystal structure of a carbonyl reductase from Candida parapsilosis with anti‐Prelog stereospecificity
- Rongzhen Zhang, Guangyu Zhu, Wenchi Zhang, Sheng Cao, Xianjin Ou, Xuemei Li, Mark Bartlam, Yan Xu, Xuejun C. Zhang, Zihe Rao
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.035089.108 (p 1412-1423)
Abstract A novel short‐chain (S)‐1‐phenyl‐1,2‐ethanediol dehydrogenase (SCR) from Candida parapsilosis exhibits coenzyme specificity for NADPH over NADH. It catalyzes an anti‐Prelog type reaction to reduce 2‐hydroxyacetophenone into (S)‐1‐phenyl‐1,2‐ethanediol. The coding gene was overexpressed in Escherichia coli and the purified protein was crystallized. The crystal structure of the apo‐form was solved to 2.7 Å resolution. This protein forms...
Early events in protein folding: Is there something more than hydrophobic burst?
- Carlo Camilloni, Ludovico Sutto, Davide Provasi, Guido Tiana, Ricardo A. Broglia
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.035105.108 (p 1424-1433)
Abstract The presence of native contacts in the denatured state of many proteins suggests that elements of the biologically active structure of these molecules are formed during the initial stage of the folding process. The rapidity with which these events take place makes it difficult to study them in vitro, but, by the same token, suitable for studies in silico. With the help of all‐atom, explicit solvent, molecular dynamics...
Hydrogen exchange of monomeric α‐synuclein shows unfolded structure persists at physiological temperature and is independent of molecular crowding in Escherichia coli
- Robyn L. Croke, Christine O. Sallum, Emma Watson, Eric D. Watt, Andrei T. Alexandrescu
- Published in Wiley Interscience on Jan 02, 2009
- DOI: 10.1110/ps.033803.107 (p 1434-1445)
Abstract Amide proton NMR signals from the N‐terminal domain of monomeric α‐synuclein (αS) are lost when the sample temperature is raised from 10°C to 35°C at pH 7.4. Although the temperature‐induced effects have been attributed to conformational exchange caused by an increase in α‐helix structure, we show that the loss of signals is due to fast amide proton exchange. At low ionic strength, hydrogen exchange rates are faster for the...




