BMRB Entry 34667

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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/BMR34667
MolProbity Validation Chart

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Title:
NMR solution structure of BCR4
Deposition date:
2021-09-20
Original release date:
2022-09-21
Authors:
Loth, K.; Paquet, F.
Citation:

Citation: Loth, Karine; Parisot, Nicolas; Paquet, Francoise; Terrasson, Hugo; Sivignon, Catherine; Rahioui, Isabelle; Ribeiro Lopes, Melanie; Gaget, Karen; Duport, Gabrielle; Delmas, Agnes; Aucagne, Vincent; Heddi, Abdelaziz; Calevro, Federica; da Silva, Pedro. "Aphid BCR4 Structure and Activity Uncover a New Defensin Peptide Superfamily"  Int. J. Mol. Sci. 23, 12480-12480 (2022).
PubMed: 36293341

Assembly members:

Assembly members:
entity_1, polymer, 50 residues, 5905.645 Da.

Natural source:

Natural source:   Common Name: Bees   Taxonomy ID: 7459   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Apis not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DFDPTEFKGPFPTIEICSKY CAVVCNYTSRPCYCVEAAKE RDQWFPYCYD

Data sets:
Data typeCount
13C chemical shifts142
15N chemical shifts32
1H chemical shifts334

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 50 residues - 5905.645 Da.

1   ASPPHEASPPROTHRGLUPHELYSGLYPRO
2   PHEPROTHRILEGLUILECYSSERLYSTYR
3   CYSALAVALVALCYSASNTYRTHRSERARG
4   PROCYSTYRCYSVALGLUALAALALYSGLU
5   ARGASPGLNTRPPHEPROTYRCYSTYRASP

Samples:

sample_1: BCR4, unlabelled, 0.6 mM

sample_conditions_1: ionic strength: 0 Not defined; pH: 4.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D TOCSYsample_1isotropicsample_conditions_1
2D NOESYsample_1isotropicsample_conditions_1
so-fast HMQCsample_1isotropicsample_conditions_1
13C-HSQCsample_1isotropicsample_conditions_1

Software:

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

ARIA, Linge, O'Donoghue and Nilges - structure calculation

NMR spectrometers:

  • Bruker AVANCE III HD 700 MHz

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