BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 30520

Title: A consensus human beta defensin   PubMed: 31325337

Deposition date: 2018-09-22 Original release date: 2019-08-23

Authors: Amero, C.; Villegas-Moreno, J.; Rodriguez, A.

Citation: Rodriguez, A.; Pedersen, M.; Villegas, E.; Rivas-Santiago, B.; Villegas-Moreno, J.; Amero, C.; Norton, R.; Corzo, G.. "Antimicrobial Activity and Structure of a Consensus Human beta-Defensin and Its Comparison to a Novel Putative hBD10"  Proteins 88, 175-186 (2020).

Assembly members:
entity_1, polymer, 32 residues, 3743.524 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: KKCWNGGRCRKKCKENEKPI GYCRNGKKCCVN

Data sets:
Data typeCount
13C chemical shifts94
15N chemical shifts33
1H chemical shifts206

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 32 residues - 3743.524 Da.

1   LYSLYSCYSTRPASNGLYGLYARGCYSARG
2   LYSLYSCYSLYSGLUASNGLULYSPROILE
3   GLYTYRCYSARGASNGLYLYSLYSCYSCYS
4   VALASN

Samples:

sample_1: peptide 1.3 mg/mL

sample_conditions_1: ionic strength: 0 Not defined; pH: 5.6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CARA, Keller and Wuthrich - data analysis

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

  • Bruker AvanceIII 600 MHz
  • Bruker Avance 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts