BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 16083

Title: Northeast Structural Genomics Consortium (NESG), target MrR121A

Deposition date: 2008-12-22 Original release date: 2009-01-13

Authors: Barb, Adam; Lee, Hsiau Wei; Wang, Xu; Magliqui, Melissa; Jiang, Mei; Ciccosanti, Colleen; Xiao, Rong; Lui, Jinfeng; Everett, John; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Prestegard, James

Citation: Barb, Adam. "Northeast Structural Genomics Target MrR121A"  .

Assembly members:
MrR121a, polymer, 112 residues, 40685.895 Da.

Natural source:   Common Name: Methanococcus maripaludis   Taxonomy ID: 39152   Superkingdom: Archaea   Kingdom: not available   Genus/species: Methanococcus maripaludis

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
MrR121a: MVDQNPEEYYLEGVLQYDAG NYTESIDLFEKAIQLDPEES KYWLMKGKALYNLERYEEAV DCYNYVINVIEDEYNKDVWA AKADALRYIEGKEVEAEIAE ARAKLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts370
15N chemical shifts100
1H chemical shifts578
residual dipolar couplings144

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1MrR121a1

Entities:

Entity 1, MrR121a 112 residues - 40685.895 Da.

1   METVALASPGLNASNPROGLUGLUTYRTYR
2   LEUGLUGLYVALLEUGLNTYRASPALAGLY
3   ASNTYRTHRGLUSERILEASPLEUPHEGLU
4   LYSALAILEGLNLEUASPPROGLUGLUSER
5   LYSTYRTRPLEUMETLYSGLYLYSALALEU
6   TYRASNLEUGLUARGTYRGLUGLUALAVAL
7   ASPCYSTYRASNTYRVALILEASNVALILE
8   GLUASPGLUTYRASNLYSASPVALTRPALA
9   ALALYSALAASPALALEUARGTYRILEGLU
10   GLYLYSGLUVALGLUALAGLUILEALAGLU
11   ALAARGALALYSLEUGLUHISHISHISHIS
12   HISHIS

Samples:

sample_1: MrR121a, [U-100% 13C; U-100% 15N], 1 mM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 200 mM; MES 20 mM

sample_2: MrR121a, [U-100% 13C; U-100% 15N], 1 mM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 200 mM; MES 20 mM; Phage 2.92 mg / mL

sample_3: MrR121a, [U-100% 13C; U-100% 15N], 1 mM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 200 mM; MES 20 mM; PEG 4.11%

sample_conditions_1: ionic strength: 200 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

sample_conditions2: pH: 6.5; temperature: 298 K

sample_conditions3: pH: 6.5; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2anisotropicsample_conditions2
2D 1H-15N HSQCsample_3anisotropicsample_conditions3
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis

VNMRJ, Varian - collection

CYANA, Guntert, Mumenthaler and Wuthrich - data analysis

X-PLOR, Brunger - refinement

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts