BMRB Entry 21069

Name: Beta-proline alternating homopentamer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZEZZ conformation.
Published: 2018-10-01

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR21069

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title: Beta-proline alternating homopentamer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZEZZ conformation. PubMed: 29644215

Deposition date: 2016-05-06 Original release date: 2018-10-01

Authors: Mantsyzov, Alexey; Polshakov, Vladimir; Kudryavtsev, Konstantin

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).

Assembly members:
Beta-Pro_ZEZZ, polymer, 5 residues, Formula weight is not available

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

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
Beta-Pro_ZEZZ: XXXXX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	23
1H chemical shifts	50

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Beta-Pro ZEZZ	1

Entities:

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

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

1

UVR

Samples:

sample_1: Beta-Pro_ZEZZ5 – 7 mM; DMSO-d6, [U-2H], 100%

sample_conditions_1: temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H ROESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HMBC	sample_1	isotropic	sample_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