BMRB Entry 30451
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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/BMR30451
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Title: Three-Dimensional Structures of [Phe3]Cm-p1 analogs
Deposition date: 2018-04-13 Original release date: 2019-04-09
Authors: Alves, E.; Liao, L.
Citation: Alves, E.; Carvalho, O.; Franco, O.; Freitas, s.; Oliveira, A.; Verly, R.; Liao, L.. "Three-Dimensional Structures of Cm-p1 and [Phe 3]Cm-p1 analogs" To be Published ., .-..
Assembly members:
entity_1, polymer, 11 residues, 1285.498 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: SRFELIVHQRX
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 29 |
| 1H chemical shifts | 53 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 11 residues - 1285.498 Da.
| 1 | SER | ARG | PHE | GLU | LEU | ILE | VAL | HIS | GLN | ARG | ||||
| 2 | NH2 |
Samples:
sample_1: cm-p1_analogous 1 mM; SDS-d25, [U-98% 2H], 100 mM; TMSP-d4, [U-98% 2H], 5 % v/v; H2O 90 % v/v; D2O, [U-99% 2H], 10 % v/v
sample_conditions_1: pH: 4; 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 |
Software:
NMRView, Johnson, One Moon Scientific - chemical shift assignment
X-PLOR, Brunger - structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
TALOS, Cornilescu, Delaglio and Bax - geometry optimization
NMR spectrometers:
- Bruker AvanceIII 500 MHz