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
Structural rearrangements in the C-terminal domain homolog of Orange Carotenoid Protein are crucial for carotenoid transfer.
Dvir Harris,Adjélé Wilson,Fernando Muzzopappa,Nikolai N. Sluchanko,Thomas Friedrich,Eugene G. Maksimov,Diana Kirilovsky,Noam Adir +7 more
TL;DR: Two dimer-forming interfaces were identified, one stabilized by a disulfide bond between monomers and the second between each monomer’s β-sheets, both compatible with small-angle X-ray scattering data and likely representing intermediates of carotenoid transfer processes.
Journal ArticleDOI
Structural analysis of lipocalin-type prostaglandin D synthase complexed with biliverdin by small-angle X-ray scattering and multi-dimensional NMR.
Yuya Miyamoto,Shigenori Nishimura,Katsuaki Inoue,Shigeru Shimamoto,Takuya Yoshida,Ayano Fukuhara,Mao Yamada,Yoshihiro Urade,Naoto Yagi,Tadayasu Ohkubo,Takashi Inui +10 more
TL;DR: Results demonstrate that L-PGDS holds biliverdin within the beta-barrel, and the conformation of the loop regions above the Beta-Barrel changes upon binding biliverden, and through such a conformational change, the whole molecule of L- PGDS becomes compact.
Journal ArticleDOI
Structures of Xenopus Embryonic Epidermal Lectin Reveal a Conserved Mechanism of Microbial Glycan Recognition
TL;DR: The structure of XEELCRD in complex with d-glycerol-1-phosphate, a residue present in microbe-specific glycans, indicated that the exocyclic vicinal diol coordinates to a protein-bound calcium ion, and this ligand-binding mode is conserved between XEel and hIntL-1.
Journal ArticleDOI
Structural Insights into High Density Lipoprotein: Old Models and New Facts.
TL;DR: This review focuses on summarizing recent developments in the field of lipid free apoA-I and HDL structure, with emphasis on new insights revealed by newly published nascent and spherical HDL models constructed by combining low resolution structures obtained from small angle neutron scattering (SANS) with contrast variation and geometrical constraints derived from hydrogen–deuterium exchange (HDX).
Journal ArticleDOI
Assembling a xylanase-lichenase chimera through all-atom molecular dynamics simulations
Junio Cota,Leandro C. Oliveira,André Damasio,Ana Paula Citadini,Zaira B. Hoffmam,Thabata M. Alvarez,Carla Aloia Codima,Vitor B. P. Leite,Glaucia Maria Pastore,Mario De Oliveira-Neto,Mário T. Murakami,Roberto Ruller,Fabio M. Squina +12 more
TL;DR: The production of chimeric enzymes could be more profitable than producing a single enzyme separately, based on comparing the recombinant protein production yield and the hydrolytic activity achieved for XylLich with that of the parental enzymes.
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.