BMRB Entry 30333

Name: Capped-strapped peptide
Published: 2018-02-15

Click here to enlarge.

PDB ID: 6anf
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30333
MolProbity Validation Chart

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:

Capped-strapped peptide

Deposition date:

2017-08-13

Original release date:

2018-02-15

Authors:

Wu, H.; Wu, Y.

Citation:

Citation: Wu, H.; Acharyya, A.; Wu, Y.; Liu, L.; Jo, H.; Gai, F.; DeGrado, W.. "Design of a Short Thermally Stable alpha-Helix Embedded in a Macrocycle" Chembiochem 19, 902-906 (2018).
PubMed: 29417711

Assembly members:

Assembly members:
entity_1, polymer, 15 residues, 1445.716 Da.
entity_B0I, non-polymer, 182.261 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 32630 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):
entity_1: XTPRQARAARAAXCX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	30
1H chemical shifts	92

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2	2

Entities:

Entity 1, entity_1 15 residues - 1445.716 Da.

1

H00

THR

PRO

ARG

GLN

ALA

ARG

ALA

ARG

2

ALA

DAL

CYS

NH2

Entity 2, entity_2 - C14 H14 - 182.261 Da.

1

B0I

Samples:

sample_1: Capped-strapped peptide A37 0.6 mM

sample_conditions_1: ionic strength: 50 mM; pH: 4.0; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - data analysis

SPARKY, Goddard - chemical shift assignment, peak picking

TALOS, Cornilescu, Delaglio and Bax - data analysis

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

Bruker AvanceII 900 MHz