BMRB Entry 31102
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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/BMR31102
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Title: NMR structure of L5pG ([p23W, G24W]kalata B1) PubMed: 38432638
Deposition date: 2023-08-25 Original release date: 2024-03-08
Authors: Tian, S.; Craik, D.; Conan, K.
Citation: Tian, Sixin; de Veer, Simon; Durek, Thomas; Wang, Conan; Craik, David. "Nucleation of a key beta-turn promotes cyclotide oxidative folding" J. Biol. Chem. ., 107125-107125 (2024).
Assembly members:
entity_1, polymer, 29 residues, 2788.187 Da.
Natural source: Common Name: Oldenlandia affinis Taxonomy ID: 60225 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Oldenlandia affinis
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: GLPVCGETCVGGTCNTPGCT
CSXGVCTRN
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 67 |
15N chemical shifts | 28 |
1H chemical shifts | 159 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 29 residues - 2788.187 Da.
1 | GLY | LEU | PRO | VAL | CYS | GLY | GLU | THR | CYS | VAL | ||||
2 | GLY | GLY | THR | CYS | ASN | THR | PRO | GLY | CYS | THR | ||||
3 | CYS | SER | DPR | GLY | VAL | CYS | THR | ARG | ASN |
Samples:
sample_1: L5pG 2 mg/mL
sample_conditions_1: ionic strength: 0 M; pH: 3.7; 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-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNmr Analysis Assign v2.4.2, CCPN - chemical shift assignment, peak picking
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation
NMR spectrometers:
- Bruker AVANCE III 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts