BMRB Entry 36512

Name: AQEE-30 in a HFIP solution
Published: 2025-10-27

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PDB ID: 8h0g
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36512
MolProbity Validation Chart

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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:

AQEE-30 in a HFIP solution

Deposition date:

2022-09-28

Original release date:

2025-10-27

Authors:

Park, O.-S., .; Jeon, Y.; Cheong, C.

Citation:

Citation: Park, One-Sung; Bang, Jeong-Kyu; Cheong, Chaejoon; Jeon, Young-Ho. "Structure of AQEE-30 of VGF Neuropeptide in Membrane-Mimicking Environments." Int. J. Mol. Sci. 23, .-. (2022).
PubMed: 36430431

Assembly members:

Assembly members:
AQEE-30, polymer, 31 residues, 3800.084 Da.

Natural source:

Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AQEE-30: SAQEEAEAEERRLQEQEELE NYIEHVLLRRP

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
15N chemical shifts	37
1H chemical shifts	156

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 31 residues - 3800.084 Da.

1

SER

ALA

GLN

GLU

ALA

GLU

ALA

GLU

2

ARG

LEU

GLN

GLU

GLN

GLU

LEU

GLU

3

ASN

TYR

ILE

GLU

HIS

VAL

LEU

ARG

4

PRO

Samples:

15N: AQEE-30, [U-15N], 1 mM; HFIP 40%; H2O 50%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 0 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	15N	isotropic	sample_conditions_1
3D HNHA	15N	isotropic	sample_conditions_1
3D HNHB	15N	isotropic	sample_conditions_1
3D 1H-15N TOCSY	15N	isotropic	sample_conditions_1
3D 1H-15N NOESY	15N	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment

CcpNmr Analysis, CCPN - peak picking

NMR spectrometers:

Bruker AVANCE NEO 900 MHz

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