BioNMR
NMR aggregator & online community since 2003
BioNMR    
Learn or help to learn NMR - get free NMR books!
 

Go Back   BioNMR > Educational resources > Journal club
Advanced Search



Jobs Groups Conferences Literature Pulse sequences Software forums Programs Sample preps Web resources BioNMR issues


Webservers
NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
PINE
Side-chains:
UNIO ATNOS-Ascan
NOEs:
UNIO ATNOS-Candid
UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
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:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
NOEs, other restraints:
PROSESS
PSVS
RPF scores
iCing
Chemical shifts:
PROSESS
CheShift2
Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
Anisofit
Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
PSQS
Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
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:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR


Reply
Thread Tools Search this Thread Rate Thread Display Modes
  #1  
Unread 12-25-2013, 03:39 PM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 23,137
Points: 193,617, Level: 100
Points: 193,617, Level: 100 Points: 193,617, Level: 100 Points: 193,617, Level: 100
Level up: 0%, 0 Points needed
Level up: 0% Level up: 0% Level up: 0%
Activity: 50.7%
Activity: 50.7% Activity: 50.7% Activity: 50.7%
Last Achievements
Award-Showcase
NMR Credits: 0
NMR Points: 193,617
Downloads: 0
Uploads: 0
Default NMR Structure of the HWE-Kinase Associated Response Regulator Sma0114 in its Activated State.

NMR Structure of the HWE-Kinase Associated Response Regulator Sma0114 in its Activated State.

Related Articles NMR Structure of the HWE-Kinase Associated Response Regulator Sma0114 in its Activated State.

Biochemistry. 2013 Dec 23;

Authors: Sheftic SR, White E, Gage DJ, Alexandrescu AT

Abstract
Bacterial receiver domains modulate intracellular responses to external stimuli in two-component systems. Sma0114 is the first structurally-characterized representative from the family of receiver domains that are substrates for HWE-kinases. We report the NMR structure of Sma0114 bound by Ca2+ and BeF3-, a phosphate analog that stabilizes the activated state. Differences between the NMR structures of the inactive and activated states occur in helix ?1, the active site loop that connects strand ?3 and helix ?3, and in the segment from strand ?5 to helix ?5 of the 455 (?4-?5-?5) face. Structural rearrangements of the 455 face typically make receiver domains competent for binding downstream target molecules. In Sma0114 the structural changes accompanying activation result in a more negatively charged surface for the 455 face. Coupling between the 455 face and active site phosphorylation is usually mediated through the rearrangement of a threonine and tyrosine residue, in a mechanism called Y-T coupling. The NMR structure indicates that Sma0114 lacks Y-T coupling, and that communication between the active site and the 455 face is achieved through a conserved lysine residue that stabilizes the acyl phosphate in receiver domains. 15N- NMR relaxation experiments were used to investigate the backbone dynamics of the Sma0114 apo-protein, the binary Sma0114•Ca2+ complex, and the ternary Sma0114•Ca2+•BeF3- complex. The loss of entropy due to ligand binding at the active site is compensated by increased flexibility in the 455 face. The dynamic character of the 455 face in Sma0114, which results in part from the replacement of helix ?4 by a flexible loop, may facilitate induced-fit recognition of target molecules.


PMID: 24364624 [PubMed - as supplied by publisher]



More...
Reply With Quote


Did you find this post helpful? Yes | No

Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
[NMR paper] Characterization of a Cyclic Nucleotide-Activated K(+) Channel and its Lipid Environment by Using Solid-State NMR Spectroscopy.
Characterization of a Cyclic Nucleotide-Activated K(+) Channel and its Lipid Environment by Using Solid-State NMR Spectroscopy. Characterization of a Cyclic Nucleotide-Activated K(+) Channel and its Lipid Environment by Using Solid-State NMR Spectroscopy. Chembiochem. 2013 Aug 16; Authors: Cukkemane A, Baldus M Abstract Voltage-gated ion channels are large tetrameric multidomain membrane proteins that play crucial roles in various cellular transduction pathways. Because of their large size and domain-related mobility, structural...
nmrlearner Journal club 0 08-21-2013 08:49 PM
[NMR paper] pH-triggered, activated-state conformations of the influenza hemagglutinin fusion peptide revealed by NMR.
pH-triggered, activated-state conformations of the influenza hemagglutinin fusion peptide revealed by NMR. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--highwire.stanford.edu-icons-externalservices-pubmed-custom-pnas_full_free.gif http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--highwire.stanford.edu-icons-externalservices-pubmed-custom-pnas_full.gif http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.pubmedcentral.nih.gov-corehtml-pmc-pmcgifs-pubmed-pmc.gif Related Articles pH-triggered, activated-state conformations of the influenza hemagglutinin fusion...
nmrlearner Journal club 0 02-07-2013 10:31 PM
[NMR paper] NMR backbone assignment of the mitogen-activated protein (MAP) kinase p38.
NMR backbone assignment of the mitogen-activated protein (MAP) kinase p38. Related Articles NMR backbone assignment of the mitogen-activated protein (MAP) kinase p38. J Biomol NMR. 2005 Jun;32(2):175 Authors: Vogtherr M, Saxena K, Grimme S, Betz M, Schieborr U, Pescatore B, Langer T, Schwalbe H
nmrlearner Journal club 0 11-25-2010 08:21 PM
[NMR paper] NMR structure of the first PHD finger of autoimmune regulator protein (AIRE1). Insigh
NMR structure of the first PHD finger of autoimmune regulator protein (AIRE1). Insights into autoimmune polyendocrinopathy-candidiasis-ectodermal dystrophy (APECED) disease. Related Articles NMR structure of the first PHD finger of autoimmune regulator protein (AIRE1). Insights into autoimmune polyendocrinopathy-candidiasis-ectodermal dystrophy (APECED) disease. J Biol Chem. 2005 Mar 25;280(12):11505-12 Authors: Bottomley MJ, Stier G, Pennacchini D, Legube G, Simon B, Akhtar A, Sattler M, Musco G Mutations in the autoimmune regulator protein...
nmrlearner Journal club 0 11-24-2010 11:14 PM
[NMR paper] NMR structure of the N-SH2 of the p85 subunit of phosphoinositide 3-kinase complexed
NMR structure of the N-SH2 of the p85 subunit of phosphoinositide 3-kinase complexed to a doubly phosphorylated peptide reveals a second phosphotyrosine binding site. Related Articles NMR structure of the N-SH2 of the p85 subunit of phosphoinositide 3-kinase complexed to a doubly phosphorylated peptide reveals a second phosphotyrosine binding site. Biochemistry. 2000 Dec 26;39(51):15860-9 Authors: Weber T, Schaffhausen B, Liu Y, Günther UL The N-terminal src homology 2 (SH2) domain of the p85 subunit of phosphoinositide 3-kinase (PI3K) has a...
nmrlearner Journal club 0 11-19-2010 08:29 PM
[NMR paper] NMR structure of activated CheY.
NMR structure of activated CheY. Related Articles NMR structure of activated CheY. J Mol Biol. 2000 Mar 31;297(3):543-51 Authors: Cho HS, Lee SY, Yan D, Pan X, Parkinson JS, Kustu S, Wemmer DE, Pelton JG The CheY protein is the response regulator in bacterial chemotaxis. Phosphorylation of a conserved aspartyl residue induces structural changes that convert the protein from an inactive to an active state. The short half-life of the aspartyl-phosphate has precluded detailed structural analysis of the active protein. Persistent activation of...
nmrlearner Journal club 0 11-18-2010 09:15 PM
NMR assignments for the Sinorhizobium meliloti response regulator Sma0114.
NMR assignments for the Sinorhizobium meliloti response regulator Sma0114. Related Articles NMR assignments for the Sinorhizobium meliloti response regulator Sma0114. Biomol NMR Assign. 2010 Oct 10; Authors: Sheftic SR, Garcia PP, Robinson VL, Gage DJ, Alexandrescu AT Response regulators are terminal ends of bacterial two-component systems that undergo extensive structural reorganization in response to phosphoryl transfer from their cognate histidine kinases. The response regulator encoded by the gene sma0114 of Sinorhizobium meliloti is a part of...
nmrlearner Journal club 0 10-12-2010 02:52 PM
[NMR paper] High-resolution NMR structure and backbone dynamics of the Bacillus subtilis response
High-resolution NMR structure and backbone dynamics of the Bacillus subtilis response regulator, Spo0F: implications for phosphorylation and molecular recognition. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-acspubs.jpg Related Articles High-resolution NMR structure and backbone dynamics of the Bacillus subtilis response regulator, Spo0F: implications for phosphorylation and molecular recognition. Biochemistry. 1997 Aug 19;36(33):10015-25 Authors: Feher VA, Zapf JW, Hoch JA, Whiteley JM, McIntosh LP, Rance M, Skelton NJ,...
nmrlearner Journal club 0 08-22-2010 05:08 PM


Thread Tools Search this Thread
Search this Thread:

Advanced Search
Display Modes Rate This Thread
Rate This 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



BioNMR advertisements to pay for website hosting and domain registration. Nobody does it for us.



Powered by vBulletin® Version 3.7.3
Copyright ©2000 - 2024, Jelsoft Enterprises Ltd.
Copyright, BioNMR.com, 2003-2013
Search Engine Friendly URLs by vBSEO 3.6.0

All times are GMT. The time now is 12:21 PM.


Map