BMRB Entry 34381

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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/BMR34381
MolProbity Validation Chart

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Title:
NMR structure of Chromogranin A (F39-D63)
Deposition date:
2019-03-19
Original release date:
2019-12-02
Authors:
Nardelli, F.; Quilici, G.; Ghitti, M.; Curnis, F.; Gori, A.; Berardi, A.; Corti, A.; Musco, G.
Citation:

Citation: Nardelli, Francesca; Ghitti, Michela; Quilici, Giacomo; Gori, Alessandro; Luo, Qingqiong; Berardi, Andrea; Sacchi, Angelina; Monieri, Matteo; Bergamaschi, Greta; Bermel, Wolfgang; Chen, Fuxiang; Corti, Angelo; Curnis, Flavio; Musco, Giovanna. "A stapled chromogranin A-derived peptide is a potent dual ligand for integrins alphavbeta6 and alphavbeta8"  Chem. Commun. (Camb.) 55, 14777-14780 (2019).
PubMed: 31755501

Assembly members:

Assembly members:
entity_1, polymer, 25 residues, 3042.471 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):
entity_1: FETLRGDERILSILRHQNLL KELQD

Data sets:
Data typeCount
13C chemical shifts133
15N chemical shifts30
1H chemical shifts200

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 25 residues - 3042.471 Da.

1   PHEGLUTHRLEUARGGLYASPGLUARGILE
2   LEUSERILELEUARGHISGLNASNLEULEU
3   LYSGLULEUGLNASP

Samples:

sample_1: Chromogranin A, [U-13C; U-15N], 0.5 mM; sodium chloride 100 mM; sodium phosphate 20 mM

sample_2: Chromogranin A 0.5 mM; sodium chloride 100 mM; sodium phosphate 20 mM

sample_3: Chromogranin A, [U-13C; U-15N], 0.5 mM; sodium chloride 100 mM; sodium phosphate 20 mM

sample_4: Chromogranin A 0.5 mM; sodium chloride 100 mM; sodium phosphate 20 mM

sample_conditions_1: ionic strength: 148 mM; pH: 6.5; pressure: 1 bar; temperature: 280 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_4isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_3isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

ARIA v2.3, Linge, O'Donoghue and Nilges - refinement, structure calculation

Analysis v2.4, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker Avance-600 600 MHz

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