BMRB Entry 18411

Title:
Solution structure of a putative protein disulfide isomerase from Bacteroides thetaiotaomicron
Deposition date:
2012-04-20
Original release date:
2012-05-22
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:

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 a putative protein disulfide isomerase from Bacteroides thetaiotaomicron"  To be published ., .-..

Assembly members:

Assembly members:
putative_protein_disulfide_isomerase, polymer, 159 residues, 18022.982 Da.

Natural source:

Natural source:   Common Name: Bacteroides fragilis subsp. thetaiotaomicron   Taxonomy ID: 818   Superkingdom: Baceteria   Kingdom: not available   Genus/species: Bacteroides thetaiotaomicron

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: modified pET26

Experimental source:

Natural source:   Common Name: Bacteroides fragilis subsp. thetaiotaomicron   Taxonomy ID: 818   Superkingdom: Baceteria   Kingdom: not available   Genus/species: Bacteroides thetaiotaomicron

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: modified pET26

Data sets:
Data typeCount
13C chemical shifts695
15N chemical shifts147
1H chemical shifts1112

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1putative protein disulfide isomerase1

Entities:

Entity 1, putative protein disulfide isomerase 159 residues - 18022.982 Da.

expressed sequence start-stop 53-200 N-term cloning artifact: MSL C-term cloning artifact: EGHHHHHH

1   METSERLEUGLYTYRILEVALARGILEGLY
2   GLUMETALAPROASPPHETHRILETHRLEU
3   THRASPGLYLYSGLNVALTHRLEUSERSER
4   LEUARGGLYLYSVALVALMETLEUGLNPHE
5   THRALASERTRPCYSGLYVALCYSARGLYS
6   GLUMETPROPHEILEGLULYSASPILETRP
7   LEULYSHISLYSASPASNALAASPPHEALA
8   LEUILEGLYILEASPARGASPGLUPROLEU
9   GLULYSVALLEUALAPHEALALYSSERTHR
10   GLYVALTHRTYRPROLEUGLYLEUASPPRO
11   GLYALAASPILEPHEALALYSTYRALALEU
12   ARGASPALAGLYILETHRARGASNVALLEU
13   ILEASPARGGLUGLYLYSILEVALLYSLEU
14   THRARGLEUTYRASNGLUGLUGLUPHEALA
15   SERLEUVALGLNGLNILEASNGLUMETLEU
16   LYSGLUGLYHISHISHISHISHISHIS

Samples:

sample_1: putative protein disulfide isomerase, [U-13C; U-15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; DTT 1 mM; EDTA 1 mM; H2O 90%; D2O 10%

sample_2: putative protein disulfide isomerase, [U-13C; U-15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; DTT 1 mM; EDTA 1 mM; D2O 100%

sample_conditions_1: ionic strength: 70 mM; pH: 7.4; 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

ARIA v2.3, Linge, O'Donoghue and Nilges - data analysis

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

VNMRJ v2.2D, Varian - collection

TOPSPIN v2.1, Bruker Biospin - collection

CCPN v2.1.5, CCPN - chemical shift assignment, data analysis, peak picking

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

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

NMR spectrometers:

  • Varian Inova 600 MHz
  • Bruker Avance 700 MHz
  • Bruker Avance 900 MHz

Related Database Links:

PDB
EMBL CDE75657 CUN16544 CUP25757 CUQ38286
GB AAO76690 ALJ41047 EES65847 EFI03545 EOS03325
REF NP_810496 WP_011107875 WP_032813276 WP_055221217 WP_055229342

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