BMRB Entry 30475
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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/BMR30475
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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
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 99 |
| 15N chemical shifts | 37 |
| 1H chemical shifts | 279 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 47 residues - 5479.359 Da.
| 1 | ARG | THR | CYS | GLN | SER | GLN | SER | HIS | ARG | PHE | ||||
| 2 | ARG | GLY | PRO | CYS | LEU | ARG | ARG | SER | ASN | CYS | ||||
| 3 | ALA | ASN | VAL | CYS | ARG | THR | GLU | GLY | PHE | PRO | ||||
| 4 | GLY | GLY | ARG | CYS | ARG | GLY | PHE | ARG | ARG | ARG | ||||
| 5 | CYS | PHE | CYS | THR | THR | HIS | CYS |
Samples:
sample_1: peptide 1 mM
sample_2: peptide 1 mM
sample_conditions_1: pH: 3.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H ECOSY | sample_2 | isotropic | sample_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