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BMRB: 25893

7S68

1H, 13C and 15N chemical shift assignments for PARP-1 F3 domain

Authors

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

Assembly

PARP-1 F3

Entity

1. PARP-1 215-362 (polymer, Thiol state: free and other bound), 162 monomers, 18231.81 Da Detail

GPLGSGVDEV AKKKSKKEKD KDSKLEKALK AQNDLIWNIK DELKKVCSTN DLKELLIFNK QQVPSGESAI LDRVADGMVF GALLPCEECS GQLVFKSDAY YCTGDVTAWT KCMVKTQTPN RKEWVTPKEF REISYLKKLK VKKQDRIFPP ETSNSSGRIV TD

2. ZINC ION (non-polymer), 65.409 Da

Total weight

18297.219 Da

Max. entity weight

18231.81 Da

Entity Connection

metal coordination 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:CYS86:SG	2:ZN1:ZN
2	metal coordination	sing	1:CYS89:SG	2:ZN1:ZN
3	metal coordination	sing	1:CYS102:SG	2:ZN1:ZN
4	metal coordination	sing	1:CYS112:SG	2:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 85.4 %, Completeness (bb): 84.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.4 % (1655 of 1939)	89.5 % (916 of 1023)	77.3 % (577 of 746)	95.3 % (162 of 170)
Backbone	84.7 % (811 of 958)	97.2 % (317 of 326)	72.1 % (344 of 477)	96.8 % (150 of 155)
Sidechain	87.8 % (996 of 1134)	85.9 % (599 of 697)	91.2 % (385 of 422)	80.0 % (12 of 15)
Aromatic	90.0 % (99 of 110)	89.1 % (49 of 55)	90.4 % (47 of 52)	100.0 % (3 of 3)
Methyl	100.0 % (166 of 166)	100.0 % (83 of 83)	100.0 % (83 of 83)

1. PARP-1 215-362

GPLGSGVDEV AKKKSKKEKD KDSKLEKALK AQNDLIWNIK DELKKVCSTN DLKELLIFNK QQVPSGESAI LDRVADGMVF GALLPCEECS GQLVFKSDAY YCTGDVTAWT KCMVKTQTPN RKEWVTPKEF REISYLKKLK VKKQDRIFPP ETSNSSGRIV TD

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.2, Details PARP-1 F3 free protein. Uniformly 13C,15N labelled

#	Name	Isotope labeling	Type	Concentration
1	PARP-1_215-362	[U-13C; U-15N]	protein	0.2 mM
2	TRIS	[U-2H]	buffer	50 mM
3	DTT	[U-2H]		1 mM
4	ZnSO4	natural abundance		0.1 mM
5	H2O	natural abundance	solvent	95 %
6	D2O	[U-2H]	solvent	5 %
7	sodium chloride	natural abundance		200 mM

LACS Plot; CA

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

Referencing offset: -0.25 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.25 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.02 ppm, Outliers: 1 Detail

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

Entries sharing articles BMRB: 7 entries Detail

  BMRB: 25888 released on 2015-11-24
    Title 1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break
  BMRB: 25889 released on 2015-11-24
    Title 1H, 13C and 15N chemical shift assignments for PARP-1 F1F2 domains (at 200mM NaCl)
  BMRB: 25890 released on 2015-11-24
    Title 1H chemical shift assignments for 45 nucleotide DNA dumbbell (model for single-strand break with one-nucleotide gap)
  BMRB: 25891 released on 2015-11-24
    Title 1H, 13C and 15N chemical shift assignments for PARP-1 F1F2F3 domains in complex with a DNA single-strand break
  BMRB: 25892 released on 2015-11-24
    Title 1H, 13C and 15N chemical shift assignments for PARP-1 F1F2F3 domains
  BMRB: 25894 released on 2015-11-24
    Title 1H and 15N chemical shift assignments for PARP-1 F1F2F3 domains in complex with PARP-1 WGR domain and a DNA single-strand break
  BMRB: 25895 released on 2015-11-24
    Title 1H, 13C and 15N chemical shift assignments for PARP-1 WGR domain

Related entities 1. PARP-1 215-362, : 1 : 10 : 21 entities Detail

Interaction partners 1. PARP-1 215-362, : 182 interactors Detail

More details for 182 interactors identified by 72 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC