BMRB: 6041

Structure of the antimicrobial hexapeptide cyc-(RRWWRF) bound to DPC and SDS micelles

Authors

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

Assembly

c-RW

Entity

1. c-RW (polymer, Thiol state: not present), 6 monomers, 1006.166 Da Detail

RRWWRF

Formula weight

1006.166 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 Complete1

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

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Polymer type: polypeptide(L)

	Total	1H
All	85.7 % (48 of 56)	85.7 % (48 of 56)
Backbone	100.0 % (12 of 12)	100.0 % (12 of 12)
Sidechain	81.8 % (36 of 44)	81.8 % (36 of 44)
Aromatic	82.4 % (14 of 17)	82.4 % (14 of 17)

1. c-RW

RRWWRF

Show sample condition

Sample #1

Pressure 1 atm, Temperature 300 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	c-RW			2.5 mM
2	DPC	[U-2H]		50 mM
3	H2O			90 %
4	D2O			10 %

Sample #2

Pressure 1 atm, Temperature 300 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
5	c-RW			2.5 mM
6	SDS	[U-2H]		25 mM
7	H2O			90 %
8	D2O			10 %

Hide sample codition

Chem. Shift Complete2

Sequence coverage: 100.0 %, Completeness: 88.4 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	88.4 % (99 of 112)	88.4 % (99 of 112)
Backbone	100.0 % (24 of 24)	100.0 % (24 of 24)
Sidechain	85.2 % (75 of 88)	85.2 % (75 of 88)
Aromatic	85.3 % (29 of 34)	85.3 % (29 of 34)

1. c-RW

RRWWRF

Show sample condition

Sample #1

Pressure 1 atm, Temperature 300 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	c-RW			2.5 mM
2	DPC	[U-2H]		50 mM
3	H2O			90 %
4	D2O			10 %

Sample #2

Pressure 1 atm, Temperature 300 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
5	c-RW			2.5 mM
6	SDS	[U-2H]		25 mM
7	H2O			90 %
8	D2O			10 %

Hide sample codition

Protein Blocks Logo

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

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Release date

2003-12-10

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