BMRB: 34166

Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions in Living Cancer Cells

Authors

Brancaccio, D., Carotenuto, A.

Assembly

ACE-ARG-ALA-(D)CYS-ARG-BNA-HIS-PEN

Entity

1. ACE-ARG-ALA-(D)CYS-ARG-BNA-HIS-PEN (polymer), 7 monomers, 908.0804 Da Detail

XACRFFC

Formula weight

908.0804 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 85.7 %, Completeness: 97.4 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	97.4 % (37 of 38)	97.4 % (37 of 38)
Backbone	100.0 % (12 of 12)	100.0 % (12 of 12)
Sidechain	96.2 % (25 of 26)	96.2 % (25 of 26)
Aromatic	90.0 % (9 of 10)	90.0 % (9 of 10)
Methyl	100.0 % (1 of 1)	100.0 % (1 of 1)

1. entity 1

XACRFFC

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5, Details 2.0 mM NA peptide, 10 % [U-99% 2H] D2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	peptide	natural abundance		2.0 mM
2	D2O	[U-99% 2H]		10 %

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Release date

2018-05-28

Citation

Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions on Living Cancer Cells
Brancaccio, D., Diana, D., Di Maro, S., Di Leva, F.S., Tomassi, S., Fattorusso, R., Russo, L., Scala, S., Trotta, A.M., Portella, L., Novellino, E., Marinelli, L., Carotenuto, A.
J. Med. Chem. (2018), 61, 2910-2923, PubMed 29522685 , DOI 10.1021/acs.jmedchem.7b01830 , Abstract

Experiments performed 3 experiments Detail