BMRB Entry 5020

Name: NMR Ensemble of Ion-Selective Ligand D18 for Platelet Integrin AlphaIIb-Beta3
Published: 2008-07-16

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5020

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR Ensemble of Ion-Selective Ligand D18 for Platelet Integrin AlphaIIb-Beta3 PubMed: 11748219

Deposition date: 2001-05-21 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}IIb{beta}3" J. Biol. Chem. 277, 10298-10305 (2002).

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

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
coupling_constants
- J-values_set_1

Data type	Count
13C chemical shifts	19
1H chemical shifts	12
coupling constants	9

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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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