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
Citations
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Journal ArticleDOI
Intrinsic structural disorder of mouse proNGF
Francesca Paoletti,Sonia Covaceuszach,Peter V. Konarev,Stefania Gonfloni,Stefania Gonfloni,Francesca Malerba,Elisabeth Schwarz,Dmitri I. Svergun,Antonino Cattaneo,Doriano Lamba +9 more
TL;DR: The propeptide of proNGF may act as an intrinsically unstructured protein domain, characterized by a molecular promiscuity in the interaction/binding to multiple partners depending on the physiological conditions of the cell.
Journal ArticleDOI
Crystal structure of the bifunctional proline utilization A flavoenzyme from Bradyrhizobium japonicum
Dhiraj Srivastava,Jonathan P. Schuermann,Tommi A. White,Navasona Krishnan,Nikhilesh Sanyal,Greg L. Hura,Anmin Tan,Michael T. Henzl,Donald F. Becker,John J. Tanner +9 more
TL;DR: The structural and kinetic data imply that the cavity serves both as a microscopic vessel for the hydrolysis of Δ1-pyrroline-5-carboxylate to glutamate semialdehyde and a protected conduit for the transport of glutamate semIALdehyde to the P5CDH active site.
Journal ArticleDOI
Hexamers of the type II secretion ATPase GspE from Vibrio cholerae with increased ATPase activity.
Connie Lu,Stewart Turley,Samuel T. Marionni,Young-Jun Park,Kelly K. Lee,Marcella Patrick,Ripal Shah,Maria Sandkvist,Matthew F. Bush,Wim G. J. Hol +9 more
TL;DR: Crystal structures of GspE(EpsE)-Hcp1 fusions with different linker lengths reveal regular and elongated hexamers of GSpE( EpsE) with major differences in domain orientation within subunits, and in subunit assembly.
Journal ArticleDOI
Tyrosine Latching of a Regulatory Gate Affords Allosteric Control of Aromatic Amino Acid Biosynthesis
Penelope J. Cross,Renwick C. J. Dobson,Renwick C. J. Dobson,Mark L. Patchett,Emily J. Parker +4 more
TL;DR: Tyrosine was found to bind at the interface between two regulatory N-terminal domains, formed from diagonally located monomers of the tetramer, revealing a major reorganization of the regulatory domain with respect to the barrel relative to unliganded enzyme.
Journal ArticleDOI
SoftWAXS: a computational tool for modeling wide-angle X-ray solution scattering from biomolecules
TL;DR: Results suggest that obtaining predictive calculations of high-resolution WAXS patterns may require sophisticated treatments of solvent, and include a numerical procedure for performing the required spherical averaging and explicit representation of the solute-solvent boundary and the surface of the hydration layer.
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.