BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30475

Title: Solution structure of ZmD32   PubMed: 31031739

Deposition date: 2018-06-05 Original release date: 2019-05-07

Authors: Harvey, P.; Craik, D.

Citation: Kerenga, Bomai; McKenna, James; Harvey, Peta; Quimbar, Pedro; Garcia-Ceron, Donovan; Lay, Fung; Phan, Thanh Kha; Veneer, Prem; Vasa, Shaily; Parisi, Kathy; Shafee, Thomas; van der Weerden, Nicole; Hulett, Mark; Craik, David; Anderson, Marilyn; Bleackley, Mark. "Salt-Tolerant Antifungal and Antibacterial Activities of the Corn Defensin ZmD32."  Front. Microbiol. 10, 795-795 (2019).

Assembly members:
entity_1, polymer, 47 residues, 5479.359 Da.

Natural source:   Common Name: Maize   Taxonomy ID: 4577   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Zea mays

Experimental source:   Production method: recombinant technology   Host organism: Komagataella pastoris

Entity Sequences (FASTA):
entity_1: RTCQSQSHRFRGPCLRRSNC ANVCRTEGFPGGRCRGFRRR CFCTTHC

Data sets:
Data typeCount
13C chemical shifts99
15N chemical shifts37
1H chemical shifts279

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 47 residues - 5479.359 Da.

1   ARGTHRCYSGLNSERGLNSERHISARGPHE
2   ARGGLYPROCYSLEUARGARGSERASNCYS
3   ALAASNVALCYSARGTHRGLUGLYPHEPRO
4   GLYGLYARGCYSARGGLYPHEARGARGARG
5   CYSPHECYSTHRTHRHISCYS

Samples:

sample_1: peptide 1 mM

sample_2: peptide 1 mM

sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H ECOSYsample_2isotropicsample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNMR, CCPN - chemical shift assignment

TOPSPIN, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AvanceIII 600 MHz

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