BMRB Entry 28124

Title:
5-Hydroxytryptophan-containing peptide for random coil chemical shifts at pH 2.3 and 7.4
Deposition date:
2020-06-01
Original release date:
2020-10-05
Authors:
Hinterholzer, Arthur; Stanojlovic, Vesna; Cabrele, Chiara; Schubert, Mario
Citation:

Citation: Hinterholzer, Arthur; Stanojlovic, Vesna; Regl, Christof; Huber, Christian; Cabrele, Chiara; Schubert, Mario. "Identification and Quantification of Oxidation Products in Full-Length Biotherapeutic Antibodies by NMR Spectroscopy"  Anal. Chem. 92, 9666-9673 (2020).
PubMed: 32530275

Assembly members:

Assembly members:
4PQ_pep, polymer, 7 residues, Formula weight is not available

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):
4PQ_pep: XGGXGGX

Data typeCount
13C chemical shifts32
1H chemical shifts36

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
14PQ_pep1

Entities:

Entity 1, 4PQ_pep 7 residues - Formula weight is not available

ACE-GLY-GLY-4PQ-GLY-GLY-NH2

1   ACEGLYGLY4PQGLYGLYNH2

Samples:

sample_1: 4PQ_pep 4 mM; urea, [U-100% 2H], 7 M

sample_conditions_1: ionic strength: 0 M; pH: 2.3; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_2
2D 1H-1H TOCSYsample_1isotropicsample_conditions_2
2D 1H-1H COSYsample_1isotropicsample_conditions_2
2D 1H-13C HMBCsample_1isotropicsample_conditions_2

Software:

SPARKY, Goddard - chemical shift assignment

TOPSPIN, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker Avance 600 MHz