BMRB Entry 21068

Title:
Beta-proline alternating homopentamer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZZEZ conformation.
Deposition date:
2016-05-06
Original release date:
2018-10-01
Authors:
Mantsyzov, Alexey; Polshakov, Vladimir; Kudryavtsev, Konstantin
Citation:

Citation: Mantsyzov, Alexey; Savelyev, Oleg; Ivantcova, Polina; Brase, Stefan; Kudryavtsev, Konstantin; Polshakov, Vladimir. "Theoretical and NMR Conformational Studies of beta-Proline Oligopeptides With Alternating Chirality of Pyrrolidine Units"  Front. Chem. 6, 1-12 (2018).
PubMed: 29644215

Assembly members:

Assembly members:
Beta-Pro_ZZEZ, polymer, 5 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):
Beta-Pro_ZZEZ: XXXXX

Data sets:
Data typeCount
13C chemical shifts23
1H chemical shifts55

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Beta-Pro ZZEZ1

Entities:

Entity 1, Beta-Pro ZZEZ 5 residues - Formula weight is not available

The polymer chain includes sequence of five residues: RRS-SSR-RRS-SSR-RRT.

1   UVRUVRUVRUVRUVR

Samples:

sample_1: Beta-Pro_ZZEZ5 – 7 mM; DMSO-d6, [U-2H], 100%

sample_conditions_1: temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H ROESYsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

SPARKY, Goddard - chemical shift assignment

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

NMR spectrometers:

  • Bruker Avance 600 MHz