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 30290

Title: NMR Assignment and Structure of Thioredoxin (Rv1471 ortholog) from Mycobacterium smegmatis ATCC 700084 / mc(2)155

Deposition date: 2017-05-02 Original release date: 2017-06-02

Authors: Barnwal, R.; Varani, G.; Seattle Structural Genomics Center for Infectious Disease (SSGCID), SSGCID

Citation: Barnwal, R.; Varani, G.. "Assignment and Structure of Thioredoxin (Rv1471 ortholog) type protein from Mycobacterium smegmatis ATCC 700084 / mc(2)155"  . ., .-..

Assembly members:
entity_1, polymer, 110 residues, 11634.341 Da.

Natural source:   Common Name: Mycobacterium smegmatis   Taxonomy ID: 1772   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium smegmatis

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

Entity Sequences (FASTA):
entity_1: MSEDSATVAVTDDSFSTDVL GSSKPVLVDFWATWCGPCKM VAPVLEEIAAEKGDQLTVAK IDVDANPATARDFQVVSIPT MILFKDGAPVKRIVGAKGKA ALLRELSDAL

Data sets:
Data typeCount
13C chemical shifts448
15N chemical shifts105
1H chemical shifts661

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 110 residues - 11634.341 Da.

1   METSERGLUASPSERALATHRVALALAVAL
2   THRASPASPSERPHESERTHRASPVALLEU
3   GLYSERSERLYSPROVALLEUVALASPPHE
4   TRPALATHRTRPCYSGLYPROCYSLYSMET
5   VALALAPROVALLEUGLUGLUILEALAALA
6   GLULYSGLYASPGLNLEUTHRVALALALYS
7   ILEASPVALASPALAASNPROALATHRALA
8   ARGASPPHEGLNVALVALSERILEPROTHR
9   METILELEUPHELYSASPGLYALAPROVAL
10   LYSARGILEVALGLYALALYSGLYLYSALA
11   ALALEULEUARGGLULEUSERASPALALEU

Samples:

sample_1: Thioredoxin (Rv1471 ortholog) from Mycobacterium smegmatis ATCC 700084 / mc(2)15513C, [U-99% 13C; U-99% 15N], 1.1 ± 0.1 mM; NaCl 100 mM

sample_conditions_1: ionic strength: 100 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

Analysis, CCPN - chemical shift assignment

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

CcpNMR, CCPN - data analysis, peak picking

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker AvanceIII 800 MHz
  • Bruker AvanceII 600 MHz

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