BMRB: 25895

1H, 13C and 15N chemical shift assignments for PARP-1 WGR domain

Authors

Neuhaus, D., Eustermann, S., Yang, J., Wu, W.

Assembly

PARP-1 WGR free

Entity

1. PARP-1 WGR free (polymer, Thiol state: not present), 127 monomers, 14504.24 Da Detail

MKLTLKGGAA VDPDSGLEHS AHVLEKGGKV FSATLGLVDI VKGTNSYYKL QLLEDDKENR YWIFRSWGRV GTVIGSNKLE QMPSKEDAIE HFMKLYEEKT GNAWHSKNFT KYPKKFYPLE IDYGQDE

Formula weight

14504.24 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 57.1 %, Completeness (bb): 84.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	57.1 % (872 of 1526)	59.8 % (477 of 797)	46.1 % (274 of 595)	90.3 % (121 of 134)
Backbone	84.0 % (633 of 754)	97.3 % (255 of 262)	69.9 % (258 of 369)	97.6 % (120 of 123)
Sidechain	39.7 % (352 of 887)	41.5 % (222 of 535)	37.8 % (129 of 341)	9.1 % (1 of 11)
Aromatic	6.3 % (10 of 158)	7.6 % (6 of 79)	5.3 % (4 of 76)	0.0 % (0 of 3)
Methyl	15.0 % (18 of 120)	15.0 % (9 of 60)	15.0 % (9 of 60)

1. PARP-1 525-645

MKLTLKGGAA VDPDSGLEHS AHVLEKGGKV FSATLGLVDI VKGTNSYYKL QLLEDDKENR YWIFRSWGRV GTVIGSNKLE QMPSKEDAIE HFMKLYEEKT GNAWHSKNFT KYPKKFYPLE IDYGQDE

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Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2, Details free PARP-1 WGR domain 15N,13C labelled

#	Name	Isotope labeling	Type	Concentration
8	PARP-1_525-645	[U-13C; U-15N]	protein	0.2 mM
9	TRIS	[U-2H]	buffer	50 mM
10	DTT	[U-2H]		1 mM
11	ZnSO4	natural abundance		0.1 mM
12	H2O	natural abundance	solvent	95 %
13	D2O	[U-2H]	solvent	5 %
14	sodium chloride	natural abundance		200 mM

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LACS Plot; CA

Referencing offset: -0.35 ppm, Outliers: 3 Detail

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Chemical shift reference

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

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LACS Plot; CB

Referencing offset: -0.35 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	TSP	methyl protons	0.0 ppm	external	indirect	0.2514495
1H	TSP	methyl protons	0.0 ppm	external	direct	1.0
15N	TSP	methyl protons	0.0 ppm	external	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.11 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	TSP	methyl protons	0.0 ppm	external	indirect	0.2514495
1H	TSP	methyl protons	0.0 ppm	external	direct	1.0
15N	TSP	methyl protons	0.0 ppm	external	indirect	0.1013291

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Release date

2015-11-24

Citation

Structural Basis of Detection and Signaling of DNA Single-Strand Breaks by Human PARP-1
Eustermann, S., Wu, W., Langelier, M., Yang, J., Easton, L.E., Riccio, A., Pascal, J.M., Neuhaus, D.
Mol. Cell (2015), 60, 742-754, PubMed 26626479 , DOI 10.1016/j.molcel.2015.10.032 , Abstract

Related entities 1. PARP-1 WGR free, : 1 : 5 : 2 : 1 : 57 entities Detail

Interaction partners 1. PARP-1 WGR free, : 182 interactors Detail

Experiments performed 7 experiments Detail

Chemical shift validation 3 contents Detail