BMRB: 6168

Structures of antimicrobial hexapeptides bound to DPC micelles

Authors

Appelt, C., Soderhall, J.A., Bienert, M., Dathe, M., Schmieder, P.

Assembly

cyclic hexapeptide RR(NAL)(NAL)RF

Entity

1. cyclic hexapeptide RR(NAL)(NAL)RF (polymer, Thiol state: not present), 6 monomers, 1028.212 Da Detail

RRXXRF

Formula weight

1028.212 Da

Entity Connection

peptide 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	peptide	sing	1:ARG1:N	1:PHE6:C

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 66.7 %, Completeness: 100.0 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	100.0 % (36 of 36)	100.0 % (36 of 36)
Backbone	100.0 % (8 of 8)	100.0 % (8 of 8)
Sidechain	100.0 % (28 of 28)	100.0 % (28 of 28)
Aromatic	100.0 % (5 of 5)	100.0 % (5 of 5)

1. cyclic hexapeptide RR(NAL)(NAL)RF

RRXXRF

Show sample condition

Sample

Pressure 1 atm, Temperature 300 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	cyclic hexapeptide RR(NAL)(NAL)RF			2.5 mM
2	D38 dodecyl phosphocholine			50 mM
3	H2O			90 %
4	D2O			10 %

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Calculated from 10 models in PDB: 1SKL, Strand ID: A Detail

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Release date

2008-07-16

Citation

Structure of the antimicrobial, cationic hexapeptide cyclo(RRWWRF) and its analogues in solution and bound to detergent micelles
Appelt, C., Wessolowski, A., Soderhall, J.A., Dathe, M., Schmieder, P.
Chembiochem. (2005), 6, 1654-1662, PubMed 16075425 , DOI 10.1002/cbic.200500095 , Abstract

Experiments performed 3 experiments Detail