BMRB Entry 18519

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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/BMR18519
MolProbity Validation Chart

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Title:
Retro Trp-cage peptide
Deposition date:
2012-06-13
Original release date:
2012-07-13
Authors:
Bathula, Sreenivas Reddy; Sklenar, Vladimir; Zidek, Lukas; Vondrasek, Jiri; Vymetal, Jiri
Citation:

Citation: Vymetal, Jiri; Bathula, Sreenivas Reddy; Cerny, Jiri; Chaloupkova, Radka; Zidek, Lukas; Sklenar, Vladimir; Vondrasek, Jiri. "From a Structure to Disorder. Retro Operation on the Trp-cage Miniprotein Sequence Produces an Unstructured Molecule Capable of Folding Similar to the Original Only upon TFE Addition"  Protein Eng. Des. Sel. ., .-..

Assembly members:

Assembly members:
Retro_Trp-cage_peptide, polymer, 20 residues, 2171.435 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):
Retro_Trp-cage_peptide: SPPPRGSSPGGDKLWQIYLN

Data sets:
Data typeCount
13C chemical shifts65
1H chemical shifts136

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Retro Trp-cage peptide1

Entities:

Entity 1, Retro Trp-cage peptide 20 residues - 2171.435 Da.

1   SERPROPROPROARGGLYSERSERPROGLY
2   GLYASPLYSLEUTRPGLNILETYRLEUASN

Samples:

sample_1: H2O 60%; D2O, [U-100% 2H], 10%; TFE, [U-99% 2H], 30%; sodium azide 0.03%

sample_conditions_1: ionic strength: 0.015 M; pH: 7.0; pressure: 1 atm; temperature: 275 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

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

SPARKY, Goddard - data analysis, peak picking

ARIA, Linge, O'Donoghue and Nilges - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker Avance 500 MHz

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