BMRB: 19455

Solid-state NMR structure of piscidin 1 in aligned 1:1 phosphatidylethanolamine/phosphoglycerol lipid bilayers

Authors

Fu, R., Tian, Y., Perrin Jr, B.S., Grant, C.V., Pastor, R.W., Cotten, M.L.

Assembly

piscidin 1 in aligned 1:1 phosphatidylethanolamine/phosphoglycerol lipid bilayers

Entity

1. piscidin 1 in aligned 1:1 phosphatidylethanolamine/phosphoglycerol lipid bilayers (polymer, Thiol state: not present), 23 monomers, 2570.028 Da Detail

FFHHIFRGIV HVGKTIHRLV TGX

Formula weight

2570.028 Da

Source organism

Morone saxatilis

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.3 %, Completeness: 95.5 %, Completeness (bb): 95.5 % Detail

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Polymer type: polypeptide(L)

	Total	15N
All	95.5 % (21 of 22)	95.5 % (21 of 22)
Backbone	95.5 % (21 of 22)	95.5 % (21 of 22)

1. Moronecidin

FFHHIFRGIV HVGKTIHRLV TGX

Show sample condition

Sample #1

Solvent system 40 mM phosphate buffer with 100% H2O, Pressure 1 atm, Temperature 305 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	Moronecidin	[15N]-F1		15.0 ~ 20.0 mM
2	1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol	natural abundance		300.0 ~ 400.0 mM
3	H2O	natural abundance		100 %
4	phosphate buffer	natural abundance		40 mM

Sample #2

Solvent system 40 mM phosphate buffer with 100% H2O, Pressure 1 atm, Temperature 305 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
5	Moronecidin	[15N]-F2I5G8		15.0 ~ 20.0 mM
6	1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol	natural abundance		300.0 ~ 400.0 mM
7	H2O	natural abundance		100 %
8	phosphate buffer	natural abundance		40 mM

Sample #3

Solvent system 40 mM phosphate buffer with 100% H2O, Pressure 1 atm, Temperature 305 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
9	Moronecidin	[U-15N]-H3		15.0 ~ 20.0 mM
10	1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol	natural abundance		300.0 ~ 400.0 mM
11	H2O	natural abundance		100 %
12	phosphate buffer	natural abundance		40 mM

Sample #4

Solvent system 40 mM phosphate buffer with 100% H2O, Pressure 1 atm, Temperature 305 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
13	Moronecidin	[U-15N]-H4		15.0 ~ 20.0 mM
14	1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol	natural abundance		300.0 ~ 400.0 mM
15	H2O	natural abundance		100 %
16	phosphate buffer	natural abundance		40 mM

Sample #5

Solvent system 40 mM phosphate buffer with 100% H2O, Pressure 1 atm, Temperature 305 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
17	Moronecidin	[15N]-F6V12		15.0 ~ 20.0 mM
18	1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol	natural abundance		300.0 ~ 400.0 mM
19	H2O	natural abundance		100 %
20	phosphate buffer	natural abundance		40 mM

Sample #6

Solvent system 40 mM phosphate buffer with 100% H2O, Pressure 1 atm, Temperature 305 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
21	Moronecidin	[U-15N]-R7		15.0 ~ 20.0 mM
22	1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol	natural abundance		300.0 ~ 400.0 mM
23	H2O	natural abundance		100 %
24	phosphate buffer	natural abundance		40 mM

Sample #7

Solvent system 40 mM phosphate buffer with 100% H2O, Pressure 1 atm, Temperature 305 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
25	Moronecidin	[15N]-I9T15		15.0 ~ 20.0 mM
26	1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol	natural abundance		300.0 ~ 400.0 mM
27	H2O	natural abundance		100 %
28	phosphate buffer	natural abundance		40 mM

Sample #8

Solvent system 40 mM phosphate buffer with 100% H2O, Pressure 1 atm, Temperature 305 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
29	Moronecidin	[15N]-V10G13I16		15.0 ~ 20.0 mM
30	1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol	natural abundance		300.0 ~ 400.0 mM
31	H2O	natural abundance		100 %
32	phosphate buffer	natural abundance		40 mM

Sample #9

Solvent system 40 mM phosphate buffer with 100% H2O, Pressure 1 atm, Temperature 305 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
33	Moronecidin	[U-15N]-H11		15.0 ~ 20.0 mM
34	1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol	natural abundance		300.0 ~ 400.0 mM
35	H2O	natural abundance		100 %
36	phosphate buffer	natural abundance		40 mM

Sample #10

Solvent system 40 mM phosphate buffer with 100% H2O, Pressure 1 atm, Temperature 305 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
37	Moronecidin	[15N]-K14		15.0 ~ 20.0 mM
38	1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol	natural abundance		300.0 ~ 400.0 mM
39	H2O	natural abundance		100 %
40	phosphate buffer	natural abundance		40 mM

Sample #11

Solvent system 40 mM phosphate buffer with 100% H2O, Pressure 1 atm, Temperature 305 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
41	Moronecidin	[U-15N]-H17		15.0 ~ 20.0 mM
42	1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol	natural abundance		300.0 ~ 400.0 mM
43	H2O	natural abundance		100 %
44	phosphate buffer	natural abundance		40 mM

Sample #12

Solvent system 40 mM phosphate buffer with 100% H2O, Pressure 1 atm, Temperature 305 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
45	Moronecidin	[U-15N]-R18		15.0 ~ 20.0 mM
46	1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol	natural abundance		300.0 ~ 400.0 mM
47	H2O	natural abundance		100 %
48	phosphate buffer	natural abundance		40 mM

Sample #13

Solvent system 40 mM phosphate buffer with 100% H2O, Pressure 1 atm, Temperature 305 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
49	Moronecidin	[15N]-L19V20		15.0 ~ 20.0 mM
50	1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol	natural abundance		300.0 ~ 400.0 mM
51	H2O	natural abundance		100 %
52	phosphate buffer	natural abundance		40 mM

Sample #14

Solvent system 40 mM phosphate buffer with 100% H2O, Pressure 1 atm, Temperature 305 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
53	Moronecidin	[15N]-T21G22		15.0 ~ 20.0 mM
54	1:1 (molar) 1-palmitoyl-2-oleoyl-sn-glycero-phosphatidylethanolamine/1-palmitoyl-2-oleoyl-sn-glycero-phosphoglycerol	natural abundance		300.0 ~ 400.0 mM
55	H2O	natural abundance		100 %
56	phosphate buffer	natural abundance		40 mM

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Calculated from 10 models in PDB: 2MCV, Strand ID: A Detail

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Release date

2014-01-20

Citation

High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion
Perrin Jr, B.S., Fu, R., Tian, Y., Grant, C.V., Wieczorek, W.E., Dao, A.E., Hayden, R.M., Burzynski, C.M., Venable, R.M., Opella, S.J., Pastor, R.W., Cotten, M.L.
J. Am. Chem. Soc. (2014), 136, 3491-3504, PubMed 24410116 , DOI 10.1021/ja411119m , Abstract

Related entities 1. piscidin 1 in aligned 1:1 phosphatidylethanolamine/phosphoglycerol lipid bilayers, : 1 : 7 : 7 entities Detail

Experiments performed 14 experiments Detail