BMRB Entry 30979
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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/BMR30979
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Title: Chickpea (Cicer arientinum) nodule-specific cysteine-rich peptide NCR13: Solution NMR structure of the isomer with C4:C10, C15:C30, and C23:C28 disulfide bonds
Deposition date: 2022-01-10 Original release date: 2022-01-28
Authors: Buchko, G.; Zhou, M.; Shah, D.; Velivelli, S.
Citation: Buchko, G.; Zhou, M.; Shah, D.; Velivelli, S.. "Chickpea (Cicer arientinum) nodule-specific cysteine-rich peptide NCR13: Solution NMR structure of the isomer with C4:C10, C15:C30, and C23:C28 disulfide bonds" .
Assembly members:
entity_1, polymer, 33 residues, 3741.605 Da.
Natural source: Common Name: chickpea Taxonomy ID: 3827 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Cicer arientinum
Experimental source: Production method: recombinant technology Host organism: Komagataella pastoris
Entity Sequences (FASTA):
entity_1: ATKPCQSDKDCKKFACRKPK
VPKCINGFCKCVR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 87 |
| 15N chemical shifts | 30 |
| 1H chemical shifts | 201 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 33 residues - 3741.605 Da.
| 1 | ALA | THR | LYS | PRO | CYS | GLN | SER | ASP | LYS | ASP | ||||
| 2 | CYS | LYS | LYS | PHE | ALA | CYS | ARG | LYS | PRO | LYS | ||||
| 3 | VAL | PRO | LYS | CYS | ILE | ASN | GLY | PHE | CYS | LYS | ||||
| 4 | CYS | VAL | ARG |
Samples:
sample_1: sodium acetate 20 ± 1 mM; sodium chloride 50 ± 1 mM; Def13_B2, [U-98% 15N], 1 ± 0.2 mM
sample_2: sodium acetate 20 ± 1 mM; sodium chloride 50 ± 1 mM; Def13_B2, [U-98% 15N], 1 ± 0.2 mM
sample_conditions_1: ionic strength: 70 mM; pH: 5.3; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_2 | anisotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | anisotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_2 | anisotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_2 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-1H COSY | sample_1 | anisotropic | sample_conditions_1 |
Software:
Felix v75, Accelrys Software Inc. - processing
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMRFAM-SPARKY v3.135, bob - data analysis
PSVS v1.5, Bhattacharya and Montelione - data analysis
PdbStat, unknown - processing
NMR spectrometers:
- Varian INOVA 600 MHz
- Bruker AVANCE III 750 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts