BMRB Entry 31196

Name: Incorporation of dehydro-aza-proline residues in avian pancreatic polypeptide: Aza-Pro substitution at position 6
Published: 2025-03-26

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31196

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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:

Incorporation of dehydro-aza-proline residues in avian pancreatic polypeptide: Aza-Pro substitution at position 6

Deposition date:

2024-08-21

Original release date:

2025-03-26

Authors:

Wright, M.; Rajewski, B.; Gerrein, T.; Smith, L.; Horne, W.; Del Valle, J.

Citation:

Citation: Wright, Madison; Rajewski, Benjamin; Gerrein, Taylor; Xu, Zhiyi; Smith, Lorna; Seth Horne, W.; Del Valle, Juan. "Stabilization of a miniprotein fold by an unpuckered proline surrogate" Commun. Chem. 8, 76-76 (2025).
PubMed: 40075167

Assembly members:

Assembly members:
entity_1, polymer, 37 residues, 4235.611 Da.

Natural source:

Natural source: Common Name: turkey Taxonomy ID: 9103 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Meleagris gallopavo

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GPSQPXYPGDDAPVEDLIRF YDNLQQYLNVVTRHRYX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	255

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1
2	unit_2	1

Entities:

Entity 1, unit_1 37 residues - 4235.611 Da.

1

GLY

PRO

SER

GLN

PRO

A1A3M

TYR

PRO

GLY

ASP

2

ASP

ALA

PRO

VAL

GLU

ASP

LEU

ILE

ARG

PHE

3

TYR

ASP

ASN

LEU

GLN

TYR

LEU

ASN

VAL

4

VAL

THR

ARG

HIS

ARG

TYR

NH2

Samples:

sample_1: avian pancreatic polypeptide, dehydro-aza-proline substitution at residue 6 2 mM; sodium acetate, [U-2H], 50 mM; DSS 0.05 mM

sample_conditions_1: ionic strength: 50 mM; pH: 4.1 pH*; pressure: 1 atm; temperature: 300 K

Experiments:

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

Software:

TopSpin, Bruker Biospin - processing

Poky, Manthey, Tonelli, Clos II, Rahimi, Markley and Lee - peak picking

ARIA, Linge, O'Donoghue and Nilges - structure calculation

NMR spectrometers:

Bruker AVANCE II 800 MHz