BMRB Entry 17619

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17619
MolProbity Validation Chart

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Title:
1H and 15N assignments of WALP19-P8 peptide in SDS micelles
Deposition date:
2011-05-02
Original release date:
2012-04-11
Authors:
Vostrikov, Vitaly; Courtney, Joseph; Hinton, James; Koeppe, Roger
Citation:

Citation: Vostrikov, Vitaly; Courtney, Joseph; Hinton, James; Koeppe, Roger. "Comparison of Proline Substitutions at Positions 8 and 10 in WALP19"  .

Assembly members:

Assembly members:
WALP19-P8, polymer, 19 residues, 2093.538 Da.
ACE, non-polymer, 44.053 Da.
ETA, non-polymer, 61.083 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
WALP19-P8: GWWLALAPALALALALWWA

Data sets:
Data typeCount
15N chemical shifts22
1H chemical shifts150

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1WALP19-P81
2ACETYL GROUP2
3ETHANOLAMINE3

Entities:

Entity 1, WALP19-P8 19 residues - 2093.538 Da.

1   GLYTRPTRPLEUALALEUALAPROALALEU
2   ALALEUALALEUALALEUTRPTRPALA

Entity 2, ACETYL GROUP - C2 H4 O - 44.053 Da.

1   ACE

Entity 3, ETHANOLAMINE - C2 H7 N O - 61.083 Da.

1   ETA

Samples:

sample_1: WALP19-P8 2.9 mM; SDS, [U-100% 2H], 233 mM; TFE, [U-100% 2H], 3.4%; H2O 88.3%; D2O 8.3%; potassium phosphate 32 uM

sample_conditions_1: pH: 6.0; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

SPARKY v3.114, Goddard - chemical shift assignment, data analysis

X-PLOR NIH v2.24, Schwieters, Kuszewski, Tjandra and Clore - geometry optimization, structure solution

PSVS v1.3, Bhattacharya and Montelione - data analysis

NMR spectrometers:

  • Bruker Avance 500 MHz

Related Database Links:

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