BMRB Entry 5021
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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/BMR5021
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 A22, 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 A22: XCYCSLRGDCYCX
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 13C chemical shifts | 20 |
| 1H chemical shifts | 12 |
| coupling constants | 8 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ION-SELECTIVE LIGAND A22 | 1 |
Entities:
Entity 1, ION-SELECTIVE LIGAND A22 13 residues - Formula weight is not available
| 1 | ACE | CYS | TYR | CYS | SER | LEU | ARG | GLY | ASP | CYS | ||||
| 2 | TYR | CYS | NH2 |
Samples:
sample_1: ION-SELECTIVE LIGAND A22 1.5 mg/ml; DMSO, [U-2H], 3 mg/ml
sample_cond_1: pressure: 1 atm; temperature: 298.00 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 |
| E-COSY | sample_1 | not available | sample_cond_1 |
| C13-HSQC | sample_1 | not available | sample_cond_1 |
Software:
X-PLOR v3.8.5.1 - structure refinement
VNMR v6.1B - collection
FELIX v2000 - data analysis
NMR spectrometers:
- Vairan UnityPlus 500 MHz