BMRB Entry 36521

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36521
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry

Title:
Solution structure of cysteine-rich peptide Bidentatide (Achyranthes bidentata peptide)
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:
Bidentatide, polymer, 33 residues, 3425.995 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):
Bidentatide: CLESGTSCIPGAQHNCCSGV CVPIVTIFYGVCY

Data sets:
Data typeCount
13C chemical shifts103
15N chemical shifts30
1H chemical shifts208

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 33 residues - 3425.995 Da.

1   CYSLEUGLUSERGLYTHRSERCYSILEPRO
2   GLYALAGLNHISASNCYSCYSSERGLYVAL
3   CYSVALPROILEVALTHRILEPHETYRGLY
4   VALCYSTYR

Samples:

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

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

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample1isotropicsample_conditions_1
2D 1H-1H TOCSYsample1isotropicsample_conditions_1
2D DQF-COSYsample1isotropicsample_conditions_1
2D 1H-13C HSQCsample1isotropicsample_conditions_1
2D 1H-15N HSQCsample1isotropicsample_conditions_1
1H-13C HSQC-TOCSYsample1isotropicsample_conditions_1
2D 1H-1H NOESYsample2isotropicsample_conditions_1
2D 1H-1H TOCSYsample2isotropicsample_conditions_1
2D 1H-13C HSQCsample2isotropicsample_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 850 MHz
  • 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