BMRB Entry 25893

Name: 1H, 13C and 15N chemical shift assignments for PARP-1 F3 domain
Published: 2015-11-25

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25893

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

Deposition date:

2015-10-08

Original release date:

2015-11-25

Authors:

Neuhaus, David; Eustermann, Sebastian; Yang, Ji-Chun; Wu, Wing-Fung

Citation:

Citation: Eustermann, Sebastian; Wu, Wing-Fung; Langelier, Marie-France; Yang, Ji-Chun; Easton, Laura; Riccio, Amanda; Pascal, John; Neuhaus, David. "Structural basis of detection and signaling of DNA single-strand breaks by human PARP 1" Mol. Cell 60, 742-754 (2015).
PubMed: 26626479

Assembly members:

Assembly members:
PARP-1_215-362, polymer, 162 residues, Formula weight is not available
ZINC ION, non-polymer, 65.409 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: Pet13

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PARP-1_215-362: GPLGSGVDEVAKKKSKKEKD KDSKLEKALKAQNDLIWNIK DELKKVCSTNDLKELLIFNK QQVPSGESAILDRVADGMVF GALLPCEECSGQLVFKSDAY YCTGDVTAWTKCMVKTQTPN RKEWVTPKEFREISYLKKLK VKKQDRIFPPETSNSSGRIV TD

Data sets:

assigned_chemical_shifts
- free_F3

Data type	Count
13C chemical shifts	545
15N chemical shifts	162
1H chemical shifts	1094

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PARP-1_215-362	1
2	ZN3	2

Entities:

Entity 1, PARP-1_215-362 162 residues - Formula weight is not available

1

GLY

PRO

LEU

GLY

SER

GLY

VAL

ASP

GLU

VAL

2

ALA

LYS

SER

LYS

GLU

LYS

ASP

3

LYS

ASP

SER

LYS

LEU

GLU

LYS

ALA

LEU

LYS

4

ALA

GLN

ASN

ASP

LEU

ILE

TRP

ASN

ILE

LYS

5

ASP

GLU

LEU

LYS

VAL

CYS

SER

THR

ASN

6

ASP

LEU

LYS

GLU

LEU

ILE

PHE

ASN

LYS

7

GLN

VAL

PRO

SER

GLY

GLU

SER

ALA

ILE

8

LEU

ASP

ARG

VAL

ALA

ASP

GLY

MET

VAL

PHE

9

GLY

ALA

LEU

PRO

CYS

GLU

CYS

SER

10

GLY

GLN

LEU

VAL

PHE

LYS

SER

ASP

ALA

TYR

11

TYR

CYS

THR

GLY

ASP

VAL

THR

ALA

TRP

THR

12

LYS

CYS

MET

VAL

LYS

THR

GLN

THR

PRO

ASN

13

ARG

LYS

GLU

TRP

VAL

THR

PRO

LYS

GLU

PHE

14

ARG

GLU

ILE

SER

TYR

LEU

LYS

LEU

LYS

15

VAL

LYS

GLN

ASP

ARG

ILE

PHE

PRO

16

GLU

THR

SER

ASN

SER

GLY

ARG

ILE

VAL

17

THR

ASP

Entity 2, ZN3 - Zn - 65.409 Da.

1

ZN

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic (constant time)	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D CBCANH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHANH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY-HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY-HSQC aliphatic	sample_1	isotropic	sample_conditions_1
3D HC[C]H-TOCSY	sample_1	isotropic	sample_conditions_1
3D [H]CCH-TOCSY	sample_1	isotropic	sample_conditions_1

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

BMRB Entry 25893

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers: