BMRB Entry 34945

Name: Trp-cage fortified Tc5b-Exenatide chimera with disulfide bond cyclization (Ex-4-Tc5bCC) at 310K
Published: 2024-09-16

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PDB ID: 9gdu
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34945
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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:

Trp-cage fortified Tc5b-Exenatide chimera with disulfide bond cyclization (Ex-4-Tc5bCC) at 310K

Deposition date:

2024-08-06

Original release date:

2024-09-16

Authors:

Horvath, D.

Citation:

Citation: Horvath, Daniel; Straner, Pal; Taricska, Nora; Fazekas, Zsolt; Menyhard, Dora; Perczel, Andras. "Influence of Trp-Cage on the Function and Stability of GLP-1R Agonist Exenatide Derivatives" J. Med. Chem. 67, 16757-16772 (2024).
PubMed: 39254428

Assembly members:

Assembly members:
entity_1, polymer, 25 residues, 2820.183 Da.

Natural source:

Natural source: Common Name: Gila monster Taxonomy ID: 8554 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Heloderma suspectum

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: EEECVRLYIQWLKDGGPSSG RPPPC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	168

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 25 residues - 2820.183 Da.

1

GLU

CYS

VAL

ARG

LEU

TYR

ILE

GLN

2

TRP

LEU

LYS

ASP

GLY

PRO

SER

GLY

3

ARG

PRO

CYS

Samples:

sample_1: polypeptide 0.8 mM; sodium azide 1%; DSS 1%

sample_conditions_1: pH: 7.08; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

CcpNmr Analysis Assign v2.4.1, CCPN - chemical shift assignment, peak picking, refinement

ARIA2alpha v2.3.1, Rieping, W. et al. - structure calculation

NMR spectrometers:

Bruker AVANCE III 700 MHz