BMRB Entry 15602

Name: 1H, 13C and 15N chemical shift assignments of human PARP-1 domain C
Published: 2008-05-05

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15602

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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 of human PARP-1 domain C

Deposition date:

2007-12-20

Original release date:

2008-05-05

Authors:

Hoffman, David; Tao, Zhihua; Liu, Hung-wen

Citation:

Citation: Tao, Zhihua; Gao, Peng; Hoffman, David; Liu, Hung-wen. "Domain C of Human Poly(ADP-ribose) Polymerase-1 is Important for Enzyme Activity and Contains a Novel Zinc-ribbon Motif" Biochemistry 47, 5804-5813 (2008).
PubMed: 18452307

Assembly members:

Assembly members:
domain_C_of_human_PARP-1, polymer, 144 residues, Formula weight is not available
ZN, 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: pMALE

Entity Sequences (FASTA):

Entity Sequences (FASTA):
domain_C_of_human_PARP-1: GHMKLEKALKAQNDLIWNIK DELKKVCSTNDLKELLIFNK QQVPSGESAILDRVADGMVF GALLPCEECSGQLVFKSDAY YCTGDVTAWTKCMVKTQTPN RKEWVTPKEFREISYLKKLK VKKQDRIFPPETSASVAATP PPST

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	446
15N chemical shifts	141
1H chemical shifts	847

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	domain C polypeptide	1
2	zinc	2

Entities:

Entity 1, domain C polypeptide 144 residues - Formula weight is not available

1

GLY

HIS

MET

LYS

LEU

GLU

LYS

ALA

LEU

LYS

2

ALA

GLN

ASN

ASP

LEU

ILE

TRP

ASN

ILE

LYS

3

ASP

GLU

LEU

LYS

VAL

CYS

SER

THR

ASN

4

ASP

LEU

LYS

GLU

LEU

ILE

PHE

ASN

LYS

5

GLN

VAL

PRO

SER

GLY

GLU

SER

ALA

ILE

6

LEU

ASP

ARG

VAL

ALA

ASP

GLY

MET

VAL

PHE

7

GLY

ALA

LEU

PRO

CYS

GLU

CYS

SER

8

GLY

GLN

LEU

VAL

PHE

LYS

SER

ASP

ALA

TYR

9

TYR

CYS

THR

GLY

ASP

VAL

THR

ALA

TRP

THR

10

LYS

CYS

MET

VAL

LYS

THR

GLN

THR

PRO

ASN

11

ARG

LYS

GLU

TRP

VAL

THR

PRO

LYS

GLU

PHE

12

ARG

GLU

ILE

SER

TYR

LEU

LYS

LEU

LYS

13

VAL

LYS

GLN

ASP

ARG

ILE

PHE

PRO

14

GLU

THR

SER

ALA

SER

VAL

ALA

THR

PRO

15

PRO

SER

THR

Entity 2, zinc - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: domain C of human PARP-1, [U-13C; U-15N], 1 mM; sodium phosphate buffer 10 mM; NaCl 250 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 260 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HACACBCO	sample_1	isotropic	sample_conditions_1
3D TOCSY-HSQC	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D TOCSY	sample_1	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - display NMR spectrum

NMR spectrometers:

Varian INOVA 500 MHz

PDB	2JVN 2RIQ 4DQY 4OPX 4OQA 4OQB
DBJ	BAG10250 BAG35260 BAG64403
GB	AAA51663 AAA60137 AAA60155 AAB59447 AAH37545
REF	NP_001609 XP_001090628 XP_001090984 XP_002809428 XP_003357689
SP	P09874
AlphaFold	P09874