BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 5021

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

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 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

Data sets:
Data typeCount
13C chemical shifts20
1H chemical shifts12
coupling constants8

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1ION-SELECTIVE LIGAND A221

Entities:

Entity 1, ION-SELECTIVE LIGAND A22 13 residues - Formula weight is not available

1   ACECYSTYRCYSSERLEUARGGLYASPCYS
2   TYRCYSNH2

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:

NameSampleSample stateSample conditions
NOESYsample_1not availablesample_cond_1
DQF-COSYsample_1not availablesample_cond_1
E-COSYsample_1not availablesample_cond_1
C13-HSQCsample_1not availablesample_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

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