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Biological Magnetic Resonance Data Bank


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BMRB Entry 17275

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17275
MolProbity Validation Chart

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Title: Solution Structure of Thioredoxin from Bacteroides Vulgatus

Deposition date: 2010-11-02 Original release date: 2010-11-15

Authors: Harris, R.; Foti, R.; Seidel, R.; Bonanno, J.; Freeman, J.; Bain, K.; Sauder, J.; Burley, S.; Girvin, M.; Almo, S.; Harris, R.

Citation: Harris, R.; Foti, R.; Seidel, R.; Bonanno, J.; Freeman, J.; Bain, K.; Sauder, J.; Burley, S.; Girvin, M.; Almo, S.. "Solution Structure of Thioredoxin from Bacteroides Vulgatus"  To be published ., .-..

Assembly members:
thioredoxin, polymer, 136 residues, 15426.890 Da.

Natural source:   Common Name: Bacteroides vulgatus   Taxonomy ID: 821   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bacteroides vulgatus

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

Entity Sequences (FASTA):
thioredoxin: MSLATEGNGKVIHLTKAEFL AKVYNFEKNPEEWKYEGDKP AIVDFYADWCGPCKMVAPIL DELAKEYDGQIVIYKVDTEK EQELAGAFGIRSIPSILFIP MEGKPEMAQGAMPKASFKKA IDEFLLKKEGHHHHHH

Data sets:
Data typeCount
13C chemical shifts602
15N chemical shifts124
1H chemical shifts940

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1thioredoxin1

Entities:

Entity 1, thioredoxin 136 residues - 15426.890 Da.

Residues A4 to K128 equivalent to amino acids 35-159 of Uniprot entry A6KZY4

1   METSERLEUALATHRGLUGLYASNGLYLYS
2   VALILEHISLEUTHRLYSALAGLUPHELEU
3   ALALYSVALTYRASNPHEGLULYSASNPRO
4   GLUGLUTRPLYSTYRGLUGLYASPLYSPRO
5   ALAILEVALASPPHETYRALAASPTRPCYS
6   GLYPROCYSLYSMETVALALAPROILELEU
7   ASPGLULEUALALYSGLUTYRASPGLYGLN
8   ILEVALILETYRLYSVALASPTHRGLULYS
9   GLUGLNGLULEUALAGLYALAPHEGLYILE
10   ARGSERILEPROSERILELEUPHEILEPRO
11   METGLUGLYLYSPROGLUMETALAGLNGLY
12   ALAMETPROLYSALASERPHELYSLYSALA
13   ILEASPGLUPHELEULEULYSLYSGLUGLY
14   HISHISHISHISHISHIS

Samples:

sample_1: thioredoxin, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; DTT 1 mM; H2O 90%; D2O 10%

sample_2: thioredoxin, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; DTT 1 mM; D2O 100%

sample_conditions_1: ionic strength: 50 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
15N HSQCsample_1isotropicsample_conditions_1
15N NOESY-HSQCsample_1isotropicsample_conditions_1
13C HSQCsample_2isotropicsample_conditions_1
aromatic 13C HSQCsample_2isotropicsample_conditions_1
13C NOESY-HSQCsample_2isotropicsample_conditions_1
13C aromatic NOESY-HSQCsample_2isotropicsample_conditions_1
HNCOsample_1isotropicsample_conditions_1
HNCACOsample_1isotropicsample_conditions_1
HNCAsample_1isotropicsample_conditions_1
HNCOCAsample_1isotropicsample_conditions_1
HNCACBsample_1isotropicsample_conditions_1
CBCACONHsample_1isotropicsample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

CCPN_Analysis, CCPN - data analysis

NMR spectrometers:

  • Varian Inova 600 MHz
  • Bruker DRX 600 MHz

Related Database Links:

PDB
EMBL CDF17279 CUO83964 CUO94190 CUQ52614
GB ABR38998 ALK84285 EET13984 EFG19548 EFV69404
REF WP_005838762 WP_016275089

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