BMRB Entry 5241

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5241
MolProbity Validation Chart

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Title:
1H and 15N assignment and secondary structure of the double K18G/R82E mutant of Alicyclobacillus acidocaldarius thermostable thioredoxin
Deposition date:
2001-12-20
Original release date:
2004-09-10
Authors:
Leone, Marilisa; Di Lello, Paola; Pedone, Emilia; Bartolucci, Simonetta; Rossi, Mose'; Di Blasio, Benedetto; Pedone, Carlo; Saviano, Michele; Isernia, Carla; Fattorusso, Roberto
Citation:

Citation: Leone, Marilisa; Di Lello, Paola; Ohlenschlager, O.; Pedone, Emilia; Bartolucci, Simonetta; Rossi, Mose'; Di Blasio, Benedetto; Pedone, Carlo; Saviano, Michele; Isernia, Carla; Fattorusso, Roberto. "Solution structure and backbone dynamics of the K18G/R82E Alicyclobacillus acidocaldarius thioredoxin mutant: a molecular analysis of its reduced thermal stability."  Biochemistry 43, 6043-6058 (2004).
PubMed: 15147188

Assembly members:

Assembly members:
Alicyclobacillus acidocaldarius thioredoxin, polymer, 105 residues, 11475.0 Da.

Natural source:

Natural source:   Common Name: Alicyclobacillus acidocaldarius (Bacillus acidocaldarius)   Taxonomy ID: 1388   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Alicyclobacillus acidocaldarius

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pTrc99A

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Alicyclobacillus acidocaldarius thioredoxin: ATMTLTDANFQQAIQGDGPV LVDFWAAWCGPCRMMAPVLE EFAEAHADKVTVAKLNVDEN PETTSQFGIMSIPTLILFKG GEPVKQLIGYQPKEQLEAQL ADVLQ

Data sets:
Data typeCount
1H chemical shifts756
15N chemical shifts111

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1BacTrx mut1

Entities:

Entity 1, BacTrx mut 105 residues - 11475.0 Da.

1   ALATHRMETTHRLEUTHRASPALAASNPHE
2   GLNGLNALAILEGLNGLYASPGLYPROVAL
3   LEUVALASPPHETRPALAALATRPCYSGLY
4   PROCYSARGMETMETALAPROVALLEUGLU
5   GLUPHEALAGLUALAHISALAASPLYSVAL
6   THRVALALALYSLEUASNVALASPGLUASN
7   PROGLUTHRTHRSERGLNPHEGLYILEMET
8   SERILEPROTHRLEUILELEUPHELYSGLY
9   GLYGLUPROVALLYSGLNLEUILEGLYTYR
10   GLNPROLYSGLUGLNLEUGLUALAGLNLEU
11   ALAASPVALLEUGLN

Samples:

sample_1: Alicyclobacillus acidocaldarius thioredoxin, [U-15N], 1.0 mM

condition_BacTrx: pH: 6.0 na; temperature: 298.0 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H DQCOSYnot availablenot availablenot available
2D 1H-1H NOESYnot availablenot availablenot available
2D 1H-1H TOCSYnot availablenot availablenot available
2D 1H-15N HSQCnot availablenot availablenot available
3D 1H-1H-15N NOESYnot availablenot availablenot available
3D 1H-1H-15N TOCSYnot availablenot availablenot available
3D HNHAnot availablenot availablenot available
3D HNHBnot availablenot availablenot available

Software:

Vnmr v6.1B - spectra processing

PROSA - spectra processing

xeasy v1.3.13 - data analysis

NMR spectrometers:

  • Varian INOVA 750 MHz
  • Varian UNITY_INOVA 600 MHz

Related Database Links:

BMRB 4446 5240
PDB
GB ACV57898 AEJ42820
REF WP_012810252 WP_014463721 YP_003184287 YP_005517339
SP P80579
AlphaFold P80579

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks