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Biological Magnetic Resonance Data Bank


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BMRB Entry 18394

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18394
MolProbity Validation Chart

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Title: Solution structure of the uncharacterized thioredoxin-like protein BVU_1432 from Bacteroides vulgatus

Deposition date: 2012-04-13 Original release date: 2012-04-24

Authors: Harris, R.; Bandaranayake, A.; Banu, R.; Bonanno, J.; Calarese, D.; Celikgil, A.; Chamala, S.; Chan, M.; Chaparro, R.; Evans, B.; Garforth, S.; Gizzi, A.; Hillerich, B.; Kar, A.; Lafleur, J.; Lim, S.; Love, J.; Matikainen, B.; Patel, H.; Seidel, R.; Smith, B.; Stead, M.; Girvin, M.; Almo, S.

Citation: Harris, R.; Bandaranayake, A.; Banu, R.; Bonanno, J.; Calarese, D.; Celikgil, A.; Chamala, S.; Chan, M.; Chaparro, R.; Evans, B.; Garforth, S.; Gizzi, A.; Hillerich, B.; Kar, A.; Lafleur, J.; Lim, S.; Love, J.; Matikainen, B.; Patel, H.; Seidel, R.; Smith, B.; Stead, M.; Girvin, M.; Almo, S.. "Solution structure of the uncharacterized thioredoxin-like protein BVU_1432 from Bacteroides vulgatus"  To be published ., .-..

Assembly members:
uncharacterized_thioredoxin-like_protein, polymer, 152 residues, 17321.625 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):
uncharacterized_thioredoxin-like_protein: MSLEIPEDKIKEASIIDIQL KDLKGNTRSLTDLKGKVVLI DFTVYNNAMSAAHNLALREL YNKYASQGFEIYQISLDGDE HFWKTSADNLPWVCVRDANG AYSSYISLYNVTNLPSVFLV NRNNELSARGENIKDLDEAI KKLLEGHHHHHH

Data sets:
Data typeCount
13C chemical shifts662
15N chemical shifts157
1H chemical shifts1059

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1uncharacterized thioredoxin-like protein1

Entities:

Entity 1, uncharacterized thioredoxin-like protein 152 residues - 17321.625 Da.

expressed sequence start-stop 242-382 N-term cloning artifact: MSL C-term cloning artifact: EGHHHHHH

1   METSERLEUGLUILEPROGLUASPLYSILE
2   LYSGLUALASERILEILEASPILEGLNLEU
3   LYSASPLEULYSGLYASNTHRARGSERLEU
4   THRASPLEULYSGLYLYSVALVALLEUILE
5   ASPPHETHRVALTYRASNASNALAMETSER
6   ALAALAHISASNLEUALALEUARGGLULEU
7   TYRASNLYSTYRALASERGLNGLYPHEGLU
8   ILETYRGLNILESERLEUASPGLYASPGLU
9   HISPHETRPLYSTHRSERALAASPASNLEU
10   PROTRPVALCYSVALARGASPALAASNGLY
11   ALATYRSERSERTYRILESERLEUTYRASN
12   VALTHRASNLEUPROSERVALPHELEUVAL
13   ASNARGASNASNGLULEUSERALAARGGLY
14   GLUASNILELYSASPLEUASPGLUALAILE
15   LYSLYSLEULEUGLUGLYHISHISHISHIS
16   HISHIS

Samples:

sample_1: uncharacterized thioredoxin-like protein, [U-13C; U-15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; DTT 1 mM; EDTA 1 mM

sample_2: uncharacterized thioredoxin-like protein, [U-13C; U-15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; DTT 1 mM; EDTA 1 mM

sample_conditions_1: ionic strength: 70 mM; pH: 6.8; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
15N HSQCsample_1isotropicsample_conditions_1
15N NOESY-HSQCsample_1isotropicsample_conditions_1
13C CT-HSQCsample_2isotropicsample_conditions_1
aromatic 13C CT-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 v2.1.5, CCPN - chemical shift assignment, peak picking

VNMR v2.2D, Varian - collection

TOPSPIN v2.1, Bruker Biospin - collection

MDDNMR v2.0, (MDDNMR) Orekhov, Jaravine, Kazimierczuk - collection, processing

MDDGUI v1.0, (MDDGUI) Lemak, Gutmanas, Chitayat, Karra, Fares, Sunnerhagen, Arrowsmith - collection, processing

NMRPipe v5.4, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Varian Inova 600 MHz
  • Bruker Avance 700 MHz

Related Database Links:

PDB
EMBL CDF16966 CUO29636 CUO85201 CUQ48135
GB ABR39120 AII62029 AII66966 ALA72799 ALB76210
REF WP_005845396 WP_007842036 WP_007847144 WP_007855055 WP_008655597

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