BMRB Entry 31225

Name: GRN-P4A isomer 2, granulin
Published: 2025-07-01

Click here to enlarge.

PDB ID: 9mxe
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31225
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text 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:

GRN-P4A isomer 2, granulin

Deposition date:

2025-01-19

Original release date:

2025-07-01

Authors:

Raffaelli, T.; Daly, N.

Citation:

Citation: Raffaelli, T.; Wilson, D.; Mobli, M.; Smout, M.; Zhao, G.; Takjoo, R.; Bansal, P.; Yu, R.; Zhang, Z.; Loukas, A.; Daly, N.. "Topological isomers of a potent wound healing peptide: structural insights and implications for bioactivity." J. Biol. Chem. ., 110340-110340 (2025).
PubMed: 40480634

Assembly members:

Assembly members:
entity_1, polymer, 24 residues, 2566.981 Da.

Natural source:

Natural source: Common Name: flatworms Taxonomy ID: 6198 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Opisthorchis viverrini

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CPDAVYTCRPGQTCCRGLHG YGCC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	63
15N chemical shifts	24
1H chemical shifts	138

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 24 residues - 2566.981 Da.

1

CYS

PRO

ASP

ALA

VAL

TYR

THR

CYS

ARG

PRO

2

GLY

GLN

THR

CYS

ARG

GLY

LEU

HIS

GLY

3

TYR

GLY

CYS

Samples:

sample_1: peptide 0.2 mM

sample_conditions_1: ionic strength: 0 M; pH: 5; pressure: 1 atm; temperature: 290 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D COSY	sample_1	anisotropic	sample_conditions_1
2D TOCSY	sample_1	anisotropic	sample_conditions_1
2D NOESY	sample_1	anisotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	anisotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	anisotropic	sample_conditions_1

Software:

TopSpin v3.98.15, Bruker Biospin - collection

CcpNmr Analysis v3.98.15, CCPN - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

NMR spectrometers:

Bruker AVANCE 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks