BMRB Entry 5201
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5201
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Title: NMR ensemble of ion-selective ligand A1 for platelet integrin alphaIIb-beta3 PubMed: 11748219
Deposition date: 2001-11-06 Original release date: 2008-07-16
Authors: Smith, J.; Le Calvez, H.; Parra-Gessert, L.; Preece, N.; Jia, X.; Assa-Munt, N.
Citation: Smith, J.; Le Calvez, H.; Parra-Gessert, L.; Preece, N.; Jia, X.; Assa-Munt, N.. "Selection and Structure of Ion-selective Ligands for Platelet Integrin Alpha IIbbeta3" J. Biol. Chem. 277, 10298-10305 (2002).
Assembly members:
A1, polymer, 13 residues, Formula weight is not available
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
Entity Sequences (FASTA):
A1: XCRVVRGDYLDCX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 21 |
| 1H chemical shifts | 67 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ion-selective ligand A1 | 1 |
Entities:
Entity 1, ion-selective ligand A1 13 residues - Formula weight is not available
| 1 | ACE | CYS | ARG | VAL | VAL | ARG | GLY | ASP | TYR | LEU | ||||
| 2 | ASP | CYS | NH2 |
Samples:
sample_1: A1 3 mg/mL
sample_cond_1: pH: 6.5; pressure: 1 atm; temperature: 278 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample_1 | not available | sample_cond_1 |
| DQF-COSY | sample_1 | not available | sample_cond_1 |
Software:
VNMR v6.1B - collection
FELIX v2000 - processing
X-PLOR v3.8.5.1 - structure solution
X-PLOR v3.8.5.1 - refinement with the Chem.Shift.Module
NMR spectrometers:
- Varian UNITYplus 500 MHz