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 30334

Title: H, 13C, and 15N Chemical Shift Assignments and structure of Thioredoxin from Mycobacterium thermoresistibile ATCC 19527 and NCTC 10409

Deposition date: 2017-08-17 Original release date: 2017-10-20

Authors: Tang, C.; Yang, F.; Varani, G.; Seattle Structural Genomics Center for Infectious Disease (SSGCID), SSGCID

Citation: Tang, C.; Yang, F.; Varani, G.. "1H, 13C, and 15N Chemical Shift Assignments and structure of Thioredoxin from Mycobacterium thermoresistibile ATCC 19527 and NCTC 10409"  . ., .-..

Assembly members:
entity_1, polymer, 115 residues, 12508.391 Da.

Natural source:   Common Name: Mycobacterium thermoresistibile   Taxonomy ID: 1078020   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium thermoresistibile

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

Entity Sequences (FASTA):
entity_1: MAHHHHHHMSGTVTVTDSTF KTDVLDSDTPVLVDFWADWC GPCKMVAPVLEEIANEKSGT LKVAKLDVDANPEAARDFQV VSIPTMILFKGGTPVKRIVG AKGKAALLREIEDAL

Data sets:
Data typeCount
13C chemical shifts443
15N chemical shifts111
1H chemical shifts672

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 115 residues - 12508.391 Da.

1   METALAHISHISHISHISHISHISMETSER
2   GLYTHRVALTHRVALTHRASPSERTHRPHE
3   LYSTHRASPVALLEUASPSERASPTHRPRO
4   VALLEUVALASPPHETRPALAASPTRPCYS
5   GLYPROCYSLYSMETVALALAPROVALLEU
6   GLUGLUILEALAASNGLULYSSERGLYTHR
7   LEULYSVALALALYSLEUASPVALASPALA
8   ASNPROGLUALAALAARGASPPHEGLNVAL
9   VALSERILEPROTHRMETILELEUPHELYS
10   GLYGLYTHRPROVALLYSARGILEVALGLY
11   ALALYSGLYLYSALAALALEULEUARGGLU
12   ILEGLUASPALALEU

Samples:

sample_1: D20 10 % v/v; DTT 2 mM; Thioredoxin, [U-95% 13C; U-95% 15N], 1 mM; sodium chloride 100 mM; sodium phosphate 25 mM

sample_2: D2O 100 % v/v; DTT 2 mM; Thioredoxin, [U-95% 13C; U-95% 15N], 1 mM; sodium chloride 100 mM; sodium phosphate 25 mM

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1

Software:

Analysis, CCPN - chemical shift assignment, peak picking, refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMR spectrometers:

  • Bruker Avance 600 MHz

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