BMRB Entry 36522

Name: Solution structure of cysteine-rich peptide Bidentatide (Achyranthes bidentata peptide) with glycation
Published: 2025-10-27

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PDB ID: 8hjd
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36522
MolProbity Validation Chart

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NMR-STAR v3 text file.
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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:

Solution structure of cysteine-rich peptide Bidentatide (Achyranthes bidentata peptide) with glycation

Deposition date:

2022-11-23

Original release date:

2025-10-27

Authors:

Feng, Y.; He, M.; Zhang, X.

Citation:

Citation: He, Meixi; Feng, Yingang; Wang, Yi; Cheng, Mengchun; Zhang, Xiaozhe; Zhang, Lihua. "Discovery of a cysteine-rich peptide with glycation modification from Achyranthes bidentata Blume." Fitoterapia 163, 105338-105338 (2022).
PubMed: 36270560

Assembly members:

Assembly members:
Gly-bidentatide, polymer, 33 residues, 3425.995 Da.
beta-D-fructopyranose, non-polymer, 180.156 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: 384659 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Achyranthes bidentata

Experimental source:

Experimental source: Production method:

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Gly-bidentatide: CLESGTSCIPGAQHNCCSGV CVPIVTIFYGVCY

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	103
15N chemical shifts	30
1H chemical shifts	208

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_BDF	2

Entities:

Entity 1, entity_1 33 residues - 3425.995 Da.

1

CYS

LEU

GLU

SER

GLY

THR

SER

CYS

ILE

PRO

2

GLY

ALA

GLN

HIS

ASN

CYS

SER

GLY

VAL

3

CYS

VAL

PRO

ILE

VAL

THR

ILE

PHE

TYR

GLY

4

VAL

CYS

TYR

Entity 2, entity_BDF - C6 H12 O6 - 180.156 Da.

1

BDF

Samples:

sample1: Gly-bidentatide 4 mg/mL; DSS 0.01 % w/v; D2O, [U-2H], 10 % v/v; H2O 60 % v/v; ACN 30%

sample2: Gly-bidentatide 4 mg/mL; DSS 0.01 % w/v; D2O, [U-2H], 70 % v/v; ACN 30%

sample_conditions_1: ionic strength: 0 mM; pH: 7 Not defined; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample1	isotropic	sample_conditions_1
2D DQF-COSY	sample1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample1	isotropic	sample_conditions_1
2D 1H-13C HSQC-TOCSY	sample1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample2	isotropic	sample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMRView, Johnson, One Moon Scientific - peak picking

NMR spectrometers:

Bruker AVANCE III 600 MHz

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