NMR paper The contribution of solid-state NMR spectroscopy to understanding biomineralization: Atomic and molecular structure of bone.

		BioNMR > Educational resources > Journal club
[NMR paper] The contribution of solid-state NMR spectroscopy to understanding biomineralization: Atomic and molecular structure of bone.

Webservers

NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

Torsion angles from chemical shifts:

Preditor

TALOS

Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

PECAN

Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

Quality Control Check

NMR spectrum prediction:

FANDAS

MestReS

V-NMR

Flexibility from structure:

Backbone S2

Methyl S2

B-factor

Molecular dynamics:

Gromacs

Amber

Antechamber

Chemical shifts prediction:

From structure:

Shiftx2

Sparta+

Camshift

CH3shift- Methyl

ArShift- Aromatic

ShiftS

Proshift

PPM

CheShift-2- Cα

From sequence:

Shifty

Camcoil

Poulsen_rc_CS

Disordered proteins:

MAXOCC

Format conversion & validation:

CCPN

From NMR-STAR 3.1

Validate NMR-STAR 3.1

NMR sample preparation:

Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

Thread Tools

Search this Thread

Rate Thread

Display Modes

03-24-2015, 09:58 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,732

Points: 193,617, Level: 100

Level up: 0%, 0 Points needed

Activity: 50.7%

Last Achievements

Award-Showcase

NMR Credits: 0

NMR Points: 193,617

Downloads: 0

Uploads: 0

The contribution of solid-state NMR spectroscopy to understanding biomineralization: Atomic and molecular structure of bone.

The contribution of solid-state NMR spectroscopy to understanding biomineralization: Atomic and molecular structure of bone.

J Magn Reson. 2015 Apr;253:98-110

Authors: Duer MJ

Abstract
Solid-state NMR spectroscopy has had a major impact on our understanding of the structure of mineralized tissues, in particular bone. Bone exemplifies the organic-inorganic composite structure inherent in mineralized tissues. The organic component of the extracellular matrix in bone is primarily composed of ordered fibrils of collagen triple-helical molecules, in which the inorganic component, calcium phosphate particles, composed of stacks of mineral platelets, are arranged around the fibrils. This perspective argues that key factors in our current structural model of bone mineral have come about through NMR spectroscopy and have yielded the primary information on how the mineral particles interface and bind with the underlying organic matrix. The structure of collagen within the organic matrix of bone or any other structural tissue has yet to be determined, but here too, this perspective shows there has been real progress made through application of solid-state NMR spectroscopy in conjunction with other techniques. In particular, NMR spectroscopy has highlighted the fact that even within these structural proteins, there is considerable dynamics, which suggests that one should be cautious when using inherently static structural models, such as those arising from X-ray diffraction analyses, to gain insight into molecular roles. It is clear that the NMR approach is still in its infancy in this area, and that we can expect many more developments in the future, particularly in understanding the molecular mechanisms of bone diseases and ageing.

PMID: 25797009 [PubMed - in process]

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR paper] The contribution of solid-state NMR spectroscopy to understanding biomineralization: Atomic and molecular structure of bone The contribution of solid-state NMR spectroscopy to understanding biomineralization: Atomic and molecular structure of bone Publication date: April 2015 Source:Journal of Magnetic Resonance, Volume 253</br> Author(s): Melinda J. Duer</br> Solid-state NMR spectroscopy has had a major impact on our understanding of the structure of mineralized tissues, in particular bone. Bone exemplifies the organic–inorganic composite structure inherent in mineralized tissues. The organic component of the extracellular matrix in bone is primarily composed of ordered fibrils of...	nmrlearner	Journal club	0	03-22-2015 06:36 PM
[NMR paper] Solid-State NMR Studies of Biomineralization Peptides and Proteins. Solid-State NMR Studies of Biomineralization Peptides and Proteins. Solid-State NMR Studies of Biomineralization Peptides and Proteins. Acc Chem Res. 2013 Aug 9; Authors: Roehrich A, Drobny G Abstract Nature has evolved sophisticated strategies for engineering hardtissues through the interaction of proteins, and ultimately cells, with inorganic mineral phases. This process, called biomineralization, is how living organisms transform inorganic materials such as hydroxyapatite, calcite, and silica into highly intricate and organized...	nmrlearner	Journal club	0	08-13-2013 04:26 PM
Development of 43Ca solid state NMR spectroscopy as a probe of local structure in inorganic and molecular materials Development of 43Ca solid state NMR spectroscopy as a probe of local structure in inorganic and molecular materials Available online 17 May 2012 Publication year: 2012 Source:Progress in Nuclear Magnetic Resonance Spectroscopy</br> </br> Graphical abstract	nmrlearner	Journal club	0	12-01-2012 06:10 PM
Applications of NMR Crystallography to Problems in Biomineralization: Refinement of the Crystal Structure and 31P Solid-State NMR Spectral Assignment of Octacalcium Phosphate Applications of NMR Crystallography to Problems in Biomineralization: Refinement of the Crystal Structure and 31P Solid-State NMR Spectral Assignment of Octacalcium Phosphate Erika Davies, Melinda J. Duer, Sharon E. Ashbrook and John M. Griffin http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja3017544/aop/images/medium/ja-2012-017544_0009.gif Journal of the American Chemical Society DOI: 10.1021/ja3017544 http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/S1bxaQtphuA	nmrlearner	Journal club	0	07-24-2012 08:19 AM
Recent contributions from solid-state NMR to the understanding of membrane protein structure and function. Recent contributions from solid-state NMR to the understanding of membrane protein structure and function. Recent contributions from solid-state NMR to the understanding of membrane protein structure and function. Curr Opin Chem Biol. 2011 Aug 19; Authors: Judge PJ, Watts A Abstract The plasma membrane functions as a semi-permeable barrier, defining the interior (or cytoplasm) of an individual cell. This highly dynamic and complex macromolecular assembly comprises predominantly lipids and proteins held together by entropic forces and...	nmrlearner	Journal club	0	08-25-2011 04:10 PM
Collagen atomic scale molecular disorder in ochronotic cartilage from an alkaptonuria patient, observed by solid state NMR. Collagen atomic scale molecular disorder in ochronotic cartilage from an alkaptonuria patient, observed by solid state NMR. Collagen atomic scale molecular disorder in ochronotic cartilage from an alkaptonuria patient, observed by solid state NMR. J Inherit Metab Dis. 2011 Jul 7; Authors: Chow WY, Taylor AM, Reid DG, Gallagher JA, Duer MJ In pilot studies of the usefulness of solid state nuclear magnetic resonance spectroscopy in characterizing chemical and molecular structural effects of alkaptonuria on connective tissue, we have obtained...	nmrlearner	Journal club	0	07-08-2011 05:21 PM
Atomic-resolution three-dimensional structure of HET-s(218-289) amyloid fibrils by solid-state NMR spectroscopy. Atomic-resolution three-dimensional structure of HET-s(218-289) amyloid fibrils by solid-state NMR spectroscopy. Atomic-resolution three-dimensional structure of HET-s(218-289) amyloid fibrils by solid-state NMR spectroscopy. J Am Chem Soc. 2010 Oct 6;132(39):13765-75 Authors: Van Melckebeke H, Wasmer C, Lange A, Ab E, Loquet A, Böckmann A, Meier BH We present a strategy to solve the high-resolution structure of amyloid fibrils by solid-state NMR and use it to determine the atomic-resolution structure of the prion domain of the fungal prion HET-s...	nmrlearner	Journal club	0	01-21-2011 12:00 PM
[NMR paper] Membrane protein structure: the contribution and potential of novel solid state NMR a Membrane protein structure: the contribution and potential of novel solid state NMR approaches. Related Articles Membrane protein structure: the contribution and potential of novel solid state NMR approaches. Mol Membr Biol. 1995 Jul-Sep;12(3):233-46 Authors: Watts A, Ulrich AS, Middleton DA Alternative methods for describing molecular detail for large integral membrane proteins are required in the absence of routine crystallographic approaches. Novel solid state NMR methods, devised for the study of large molecular assemblies, are now finding...	nmrlearner	Journal club	0	08-22-2010 03:41 AM

« Previous Thread | Next Thread »

Posting Rules
You may not post new threads You may not post replies You may not post attachments You may not edit your posts BB code is On Smilies are On [IMG] code is On HTML code is On Trackbacks are Off Pingbacks are Off Refbacks are Off