BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 16207

Title: NmerA   PubMed: 20828160

Deposition date: 2009-03-10 Original release date: 2010-09-10

Authors: Doetsch, Volker

Citation: Ledwidge, Richard; Hong, Baoyu; Dotsch, Volker; Miller, Susan. "NmerA of Tn501 Mercuric Ion Reductase: Structural Modulation of the pK(a) Values of the Metal Binding Cysteine Thiols ."  Biochemistry 49, 8988-8998 (2010).

Assembly members:
NmerA, polymer, 69 residues, Formula weight is not available

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

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

Entity Sequences (FASTA):
NmerA: MTHLKITGMTCDSCAAHVKE ALEKVPGVQSALVSYPKGTA QLAIVPGTSPDALTAAVAGL GYKATLADA

Data sets:
Data typeCount
13C chemical shifts173
15N chemical shifts62
1H chemical shifts444

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1NmerA1

Entities:

Entity 1, NmerA 69 residues - Formula weight is not available

1   METTHRHISLEULYSILETHRGLYMETTHR
2   CYSASPSERCYSALAALAHISVALLYSGLU
3   ALALEUGLULYSVALPROGLYVALGLNSER
4   ALALEUVALSERTYRPROLYSGLYTHRALA
5   GLNLEUALAILEVALPROGLYTHRSERPRO
6   ASPALALEUTHRALAALAVALALAGLYLEU
7   GLYTYRLYSALATHRLEUALAASPALA

Samples:

sample_1: NmerA, [U-100% 13C; U-100% 15N], 1 mM; phosphate buffer 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6.7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1

Software:

XEASY, Bartels et al. - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 500 MHz

Related Database Links:

BMRB 16208
PDB
DBJ BAQ41837 GAA19190 GAP34039
EMBL CAA77323 CAD10787 CAD97551 CAI11285 CAI30249
GB AAC38220 AAK18580 AAR31066 AAZ65793 ABF13033
REF NP_085424 WP_003156770 WP_003158917 WP_005413388 WP_011514825
SP P00392

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