BMRB Entry 15443
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15443
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Citation: Zhang, Li; Mallik, Buddhadeb; Morikis, Dimitrios. "Structural Study of Ac-Phe-[Orn-Pro-dCha-Trp-Arg],
a Potent C5a Receptor Antagonist, by NMR" Biopolymers 90, 803-815 (2008).
PubMed: 18846567
Assembly members:
cC5aR-pa, polymer, 6 residues, 887.156 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis Vector: N/A
Entity Sequences (FASTA):
cC5aR-pa: XXPXWR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 62 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | cC5aR-pa | 1 |
Entities:
Entity 1, cC5aR-pa 6 residues - 887.156 Da.
| 1 | NFA | ORN | PRO | CHA | TRP | ARG |
Samples:
sample_1: entity2 – 3 mM
sample_conditions_1: pressure: 1 atm; temperature: 308 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 DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment, data analysis, processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker Avance 600 MHz