BMRB: 25684

SOLUTION STRUCTURE OF THE LIPID DROPLET ANCHORING PEPTIDE OF CGI-58 BOUND TO DPC MICELLES

Authors

Boeszoermenyi, A.B.A., Arthanari, H.A.H., Wagner, G.G.W., Nagy, H.N.H.M., Zangger, K.Z.K., Lindermuth, H.L.H., Oberer, M.O.M.

Assembly

LIPID DROPLET ANCHORING PEPTIDE OF CGI-58

Entity

1. LIPID DROPLET ANCHORING PEPTIDE OF CGI-58 (polymer, Thiol state: all free), 39 monomers, 3978.292 Da Detail

GAMGSVDSAD AGGGSGWLTG WLPTWCPTST SHLKEAEEK

Formula weight

3978.292 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete1

Sequence coverage: 59.0 %, Completeness: 34.3 %, Completeness (bb): 28.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	34.3 % (137 of 399)	55.0 % (111 of 202)	12.7 % (20 of 157)	15.0 % (6 of 40)
Backbone	28.7 % (66 of 230)	55.4 % (46 of 83)	12.7 % (14 of 110)	16.2 % (6 of 37)
Sidechain	39.3 % (79 of 201)	55.5 % (66 of 119)	16.5 % (13 of 79)	0.0 % (0 of 3)
Aromatic	22.5 % (9 of 40)	45.0 % (9 of 20)	0.0 % (0 of 17)	0.0 % (0 of 3)
Methyl	46.9 % (15 of 32)	75.0 % (12 of 16)	18.8 % (3 of 16)

1. wr10 43

GAMGSVDSAD AGGGSGWLTG WLPTWCPTST SHLKEAEEK

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000

#	Name	Isotope labeling	Type	Concentration
1	wr10_43	[U-13C; U-15N]		1 mM
2	NaPP	natural abundance		20 mM
3	NaCl	natural abundance		50 mM
4	EDTA	natural abundance		1 mM
5	DTT	natural abundance		5 mM

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 6.000

#	Name	Isotope labeling	Type	Concentration
11	wr10_43	[U-13C; U-15N]		1 mM
12	NaPP	natural abundance		20 mM
13	NaCl	natural abundance		50 mM
14	EDTA	natural abundance		1 mM
15	DTT	natural abundance		5 mM

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Chem. Shift Complete2

Sequence coverage: 97.4 %, Completeness: 45.1 %, Completeness (bb): 39.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	45.1 % (360 of 798)	58.9 % (238 of 404)	35.7 % (112 of 314)	12.5 % (10 of 80)
Backbone	39.6 % (182 of 460)	53.6 % (89 of 166)	37.7 % (83 of 220)	13.5 % (10 of 74)
Sidechain	54.2 % (218 of 402)	63.0 % (150 of 238)	43.0 % (68 of 158)	0.0 % (0 of 6)
Aromatic	16.2 % (13 of 80)	32.5 % (13 of 40)	0.0 % (0 of 34)	0.0 % (0 of 6)
Methyl	73.4 % (47 of 64)	87.5 % (28 of 32)	59.4 % (19 of 32)

1. wr10 43

GAMGSVDSAD AGGGSGWLTG WLPTWCPTST SHLKEAEEK

Show sample condition

Sample

Solvent system 100% D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 6.000

#	Name	Isotope labeling	Type	Concentration
6	wr10_43	[U-13C; U-15N]		1 mM
7	NaPP	natural abundance		20 mM
8	NaCl	natural abundance		50 mM
9	EDTA	natural abundance		1 mM
10	DTT	natural abundance		5 mM

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Chem. Shift Complete3

Sequence coverage: 97.4 %, Completeness: 47.4 %, Completeness (bb): 44.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	47.4 % (567 of 1197)	64.4 % (390 of 606)	27.4 % (129 of 471)	40.0 % (48 of 120)
Backbone	44.3 % (306 of 690)	64.7 % (161 of 249)	30.0 % (99 of 330)	41.4 % (46 of 111)
Sidechain	50.9 % (307 of 603)	64.4 % (230 of 357)	31.6 % (75 of 237)	22.2 % (2 of 9)
Aromatic	20.0 % (24 of 120)	36.7 % (22 of 60)	0.0 % (0 of 51)	22.2 % (2 of 9)
Methyl	66.7 % (64 of 96)	89.6 % (43 of 48)	43.8 % (21 of 48)

1. wr10 43

GAMGSVDSAD AGGGSGWLTG WLPTWCPTST SHLKEAEEK

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 6.000

#	Name	Isotope labeling	Type	Concentration
1	wr10_43	[U-13C; U-15N]		1 mM
2	NaPP	natural abundance		20 mM
3	NaCl	natural abundance		50 mM
4	EDTA	natural abundance		1 mM
5	DTT	natural abundance		5 mM

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Chem. Shift Complete4

Sequence coverage: 97.4 %, Completeness: 57.0 %, Completeness (bb): 57.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	57.0 % (909 of 1596)	70.7 % (571 of 808)	40.6 % (255 of 628)	51.9 % (83 of 160)
Backbone	57.2 % (526 of 920)	72.3 % (240 of 332)	46.6 % (205 of 440)	54.7 % (81 of 148)
Sidechain	57.2 % (460 of 804)	69.7 % (332 of 476)	39.9 % (126 of 316)	16.7 % (2 of 12)
Aromatic	20.6 % (33 of 160)	38.7 % (31 of 80)	0.0 % (0 of 68)	16.7 % (2 of 12)
Methyl	71.1 % (91 of 128)	90.6 % (58 of 64)	51.6 % (33 of 64)

1. wr10 43

GAMGSVDSAD AGGGSGWLTG WLPTWCPTST SHLKEAEEK

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 310.000 K, pH 6.000

#	Name	Isotope labeling	Type	Concentration
1	wr10_43	[U-13C; U-15N]		1 mM
2	NaPP	natural abundance		20 mM
3	NaCl	natural abundance		50 mM
4	EDTA	natural abundance		1 mM
5	DTT	natural abundance		5 mM

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LACS Plot; CA

Referencing offset: 0.17 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.17 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.03 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.09 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 5A4H, Strand ID: A Detail

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Release date

2015-09-13

Citation

Structure of a CGI-58 Motif Provides the Molecular Basis of Lipid Droplet Anchoring
Boeszoermenyi, A.B.A., Arthanari, H.A.H., Wagner, G.G.W., Nagy, H.N.H.M., Zangger, K.Z.K., Lindermuth, H.L.H., Oberer, M.O.M.
J. Biol. Chem. (2015), 290, 26361-26372, PubMed 26350461 , DOI 10.1074/jbc.M115.682203 , Abstract

Related entities 1. LIPID DROPLET ANCHORING PEPTIDE OF CGI-58, : 4 : 5 entities Detail

Interaction partners 1. LIPID DROPLET ANCHORING PEPTIDE OF CGI-58, : 1 interactors Detail

Experiments performed 17 experiments Detail