BMRB Entry 17284

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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/BMR17284
MolProbity Validation Chart

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Title:
Solution NMR structure of E2 lipoyl domain from Thermoplasma acidophilum
Deposition date:
2010-11-05
Original release date:
2012-07-25
Authors:
Bagby, Stefan; Posner, Mareike; Upadhyay, Abhishek; Danson, Michael
Citation:

Citation: Posner, Mareike; Upadhyay, Abhishek; Danson, Michael; Bagby, Stefan. "Thermoplasmsa acidophilum lipoylation machinery"  .

Assembly members:

Assembly members:
E2_lipoyl_domain, polymer, 77 residues, 8671.096 Da.

Natural source:

Natural source:   Common Name: Thermoplasma acidophilum   Taxonomy ID: 2303   Superkingdom: Archaea   Kingdom: not available   Genus/species: Thermoplasma acidophilum

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET19b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
E2_lipoyl_domain: MYEFKLPDIGEGVTEGEIVR WDVKEGDMVEKDQDLVEVMT DKVTVKIPSPVRGKIVKILY REGQVVPVGSTLLQIDT

Data sets:
Data typeCount
13C chemical shifts327
15N chemical shifts71
1H chemical shifts541

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1E2 lipoyl domain1

Entities:

Entity 1, E2 lipoyl domain 77 residues - 8671.096 Da.

1   METTYRGLUPHELYSLEUPROASPILEGLY
2   GLUGLYVALTHRGLUGLYGLUILEVALARG
3   TRPASPVALLYSGLUGLYASPMETVALGLU
4   LYSASPGLNASPLEUVALGLUVALMETTHR
5   ASPLYSVALTHRVALLYSILEPROSERPRO
6   VALARGGLYLYSILEVALLYSILELEUTYR
7   ARGGLUGLYGLNVALVALPROVALGLYSER
8   THRLEULEUGLNILEASPTHR

Samples:

sample_1: sodium chloride 50 mM; HEPES 50 mM; H2O 93%; D2O 7%; E2_lipoyl_domain, [U-13C; U-15N], 1 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 7.5; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH v2.26, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

Analysis, CCPN - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

PDB
EMBL CAC12556
REF WP_010901839

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