BMRB: 6246

Structural transitions as determinants of the action of the calcium-dependent antibiotic daptomycin

Authors

Jung, D., Rozek, A., Okon, M., Hancock, R.E.W.

Assembly

daptomycin

Entity

1. daptomycin (polymer, Thiol state: not present), 13 monomers, 1484.439 Da Detail

WNXTGXDXDG XXX

2. DKA (non-polymer), 172.265 Da

Total weight

1656.704 Da

Max. entity weight

1484.439 Da

Entity Connection

covalent 2 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:TRP1:N	2:DKA1:C1
2	covalent	sing	1:THR4:OG1	1:KYN13:C

Source organism

Staphylococcus aureus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 53.8 %, Completeness: 100.0 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	100.0 % (34 of 34)	100.0 % (34 of 34)
Backbone	100.0 % (16 of 16)	100.0 % (16 of 16)
Sidechain	100.0 % (18 of 18)	100.0 % (18 of 18)
Aromatic	100.0 % (6 of 6)	100.0 % (6 of 6)
Methyl	100.0 % (1 of 1)	100.0 % (1 of 1)

1. daptomycin

WNXTGXDXDG XX

Show sample condition

Sample

Pressure 1 atm, Temperature 290.15 K, pH 6.6

#	Name	Isotope labeling	Type	Concentration
1	daptomycin			2 mM
2	KCl			100 mM
3	EGTA			2 mM
4	EDTA			0.2 mM
5	H2O			93 %
6	D2O			7 %

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Release date

2008-07-16

Citation

Structural transitions as determinants of the action of the calcium-dependent antibiotic daptomycin
Jung, D., Rozek, A., Okon, M., Hancock, R.E.W.
Chem. Biol. (2004), 11, 949-957, PubMed 15271353 , DOI 10.1016/j.chembiol.2004.04.020 , Abstract

Experiments performed 3 experiments Detail