BMRB: 6420

Daptomycin NMR Structure

Authors

Ball, L., Goult, C.M., Donarski, J.A., Micklefield, J., Ramesh, V.

Assembly

Daptomycin

Entity

1. Daptomycin (polymer, Thiol state: not present), 14 monomers, 1638.688 Da Detail

XWNDTGXDXD GXXX

Formula weight

1638.688 Da

Entity Connection

ether 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	ether	sing	1:THR5:OG1	1:KYN14:C

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 57.1 %, Completeness: 89.5 %, Completeness (bb): 94.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	89.5 % (34 of 38)	89.5 % (34 of 38)
Backbone	94.4 % (17 of 18)	94.4 % (17 of 18)
Sidechain	85.0 % (17 of 20)	85.0 % (17 of 20)
Aromatic	83.3 % (5 of 6)	83.3 % (5 of 6)
Methyl	100.0 % (1 of 1)	100.0 % (1 of 1)

1. Daptomycin

XWNDTGXDXD GXX

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 5.05

#	Name	Isotope labeling	Type	Concentration
1	Daptomycin			0.8 mM
2	H2O			90 %
3	D2O			10 %

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Release date

2004-12-09

Citation

NMR structure determination and calcium binding effects of lipopeptide antibiotic daptomycin
Ball, L., Goult, C.M., Donarski, J.A., Micklefield, J., Ramesh, V.
Org. Biomol. Chem. (2004), 2, 1872-1878, PubMed 15227539 , DOI 10.1039/b402722a , Abstract

Experiments performed 1 experiments Detail