Journal ArticleDOI
CRYSOL : a program to evaluate X-ray solution scattering of biological macromolecules from atomic coordinates
TLDR
In this paper, a program for evaluating the solution scattering from macromolecules with known atomic structure is presented, which uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell.Abstract:
A program for evaluating the solution scattering from macromolecules with known atomic structure is presented. The program uses multipole expansion for fast calculation of the spherically averaged scattering pattern and takes into account the hydration shell. Given the atomic coordinates (e.g. from the Brookhaven Protein Data Bank) it can either predict the solution scattering curve or fit the experimental scattering curve using only two free parameters, the average displaced solvent volume per atomic group and the contrast of the hydration layer. The program runs on IBM PCs and on the major UNIX platforms.read more
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Journal ArticleDOI
MaxOcc: a web portal for maximum occurrence analysis
Ivano Bertini,Lucio Ferella,Claudio Luchinat,Giacomo Parigi,Maxim V. Petoukhov,Enrico Ravera,Antonio Rosato,Dmitri I. Svergun +7 more
TL;DR: The MaxOcc web portal is presented for the characterization of the conformational heterogeneity of two-domain proteins, through the calculation of the Maximum Occurrence that each protein conformation can have in agreement with experimental data.
Journal ArticleDOI
Hexameric and pentameric slipped-cofacial dimers: toward an artificial light-harvesting complex.
TL;DR: It is anticipated that the macrorings of gable porphyrins represent a good model for an artificial light-harvesting complex and two convergent assemblies were obtained through analysis by gel permeation chromatography.
Journal ArticleDOI
An intermolecular binding mechanism involving multiple LysM domains mediates carbohydrate recognition by an endopeptidase
Jaslyn E. M. M. Wong,Søren Roi Midtgaard,Kira Gysel,Mikkel B. Thygesen,Kasper K. Sørensen,Knud J. Jensen,Jens Stougaard,Søren Thirup,Mickaël Blaise +8 more
TL;DR: The crystal and solution structures of the T. thermophilus NlpC/P60 d,l-endopeptidase as well as the co-crystal structure of its N-terminal LysM domains bound to chitohexaose allow a proposal to be made regarding how the enzyme recognizes peptidoglycan.
Journal ArticleDOI
Ligand regulation of a constitutively dimeric EGF receptor
TL;DR: It is shown that the Caenorhabditis elegans EGFR orthologue LET-23 is constitutively dimeric, yet responds to its ligand LIN-3 without changing oligomerization state, arguing that EGFR can be regulated by allosteric changes within an existing receptor dimer.
Journal ArticleDOI
Extended conformation of mammalian translation elongation factor 1A in solution.
Tat'yana V. Budkevich,A. A. Timchenko,E. I. Tiktopulo,Boris Negrutskii,V F Shalak,Z M Petrushenko,V. L. Aksenov,Regine Willumeit,J Kohlbrecher,Igor N. Serdyuk,Anna V. El'skaya +10 more
TL;DR: The conformation of mammalian elongation factor eEF1A in solution was examined by the small angle neutron scattering and scanning microcalorimetry and it was found that in contrast to the bacterial analogue the e EF1A molecule has no fixed rigid structure in solution.
References
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Book
International tables for X-ray crystallography
Norman Fordyce McKerron Henry,Lonsdale, Kathleen, Dame,John S. Kasper,Caroline H. MacGillavry,Gerard D. Rieck,James A. Ibers,Walter C. Hamilton +6 more
Angular Momentum in Quantum Mechanics
TL;DR: In this paper, the angular momentum, one of the most fundamental quantities in all of quantum mechanics, is introduced and a concise introduction to its application in atomic, molecular, and nuclear physics is provided.
Book
Angular Momentum in Quantum Mechanics
TL;DR: In this article, the angular momentum, one of the most fundamental quantities in all of quantum mechanics, is introduced and a concise introduction to its application in atomic, molecular, and nuclear physics is provided.