BMRB Entry 21066

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

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR21066

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

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Title:

Beta-proline alternating homotetramer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZEZ 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_ZEZ, polymer, 4 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_ZEZ: XXXX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	37
1H chemical shifts	57

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

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

Entities:

Entity 1, Beta-Pro ZEZ 4 residues - Formula weight is not available

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

1

UVR

Samples:

sample_1: Beta-Pro_ZEZ5 – 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