BMRB Entry 5020
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5020
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
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}IIb{beta}3" J. Biol. Chem. 277, 10298-10305 (2002).
PubMed: 11748219
Assembly members:
ION-SELECTIVE LIGAND D18, 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):
ION-SELECTIVE LIGAND D18: XCRWLRGDWRQCX
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 13C chemical shifts | 19 |
| 1H chemical shifts | 12 |
| coupling constants | 9 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ION-SELECTIVE LIGAND D18 | 1 |
Entities:
Entity 1, ION-SELECTIVE LIGAND D18 13 residues - Formula weight is not available
| 1 | ACE | CYS | ARG | TRP | LEU | ARG | GLY | ASP | TRP | ARG | ||||
| 2 | GLN | CYS | NH2 |
Samples:
sample_1: ION-SELECTIVE LIGAND D18 3 mg/mL; phosphate buffer 10 mM; H2O 95%; D2O 5%
sample_cond_1: ionic strength: 10 mM; pH: 6.50; pressure: 1 atm; temperature: 278.00 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:
X-PLOR v3.8.5.1 - refinement
VNMR v6.1B - collection
FELIX v2000 - data analysis
NMR spectrometers:
- VARIAN UNITYPLUS 500 MHz