BMRB Entry 51672

Name: GRASP peptide
Published: 2023-07-03

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51672

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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:

GRASP peptide

Deposition date:

2022-10-25

Original release date:

2023-07-03

Authors:

Borner, Tito; Tinsley, Ian; Milliken, Brandon; Najjar, Nicholas; Kerwood, Deborah; De Jonghe, Bart; Doyle, Robert; Hayes, Matthew

Citation:

Citation: Borner, Tito; Tinsley, Ian; Milliken, Brandon; Doebley, Sarah; Najjar, Nicholas; Kerwood, Deborah; De Jonghe, Bart; Hayes, Matthew; Doyle, Robert. "Creation of a Peptide Antagonist of the GFRAL-RET Receptor Complex for the Treatment of GDF15-Induced Malaise" J. Med. Chem. 66, 11237-11249 (2023).
PubMed: 37506293

Assembly members:

Assembly members:
entity_1, polymer, 29 residues, 3280 Da.

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):
entity_1: TKEELIHAHADPMVLIQKTD TGVSLQTYD

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	75
1H chemical shifts	175

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PeptideGRASP	1

Entities:

Entity 1, PeptideGRASP 29 residues - 3280 Da.

1

THR

LYS

GLU

LEU

ILE

HIS

ALA

HIS

ALA

2

ASP

PRO

MET

VAL

LEU

ILE

GLN

LYS

THR

ASP

3

THR

GLY

VAL

SER

LEU

GLN

THR

TYR

ASP

Samples:

sample_1: GRASP peptide 1 mM; DSS 0.5 mM; phosphate-buffered saline 50 mM

sample_conditions_1: pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

AMBER v18 - restraint molecular dynamic calculations

TOPSPIN v4.0.3 - collection and analysis of data

NMR spectrometers:

Bruker AVANCE III 800 MHz