BMRB Entry 11500

Name: solution structure of PARP11 WWE domain
Published: 2018-12-18

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11500

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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:

solution structure of PARP11 WWE domain

Deposition date:

2012-05-08

Original release date:

2018-12-18

Authors:

He, Fahu; Muto, Yutaka; Inoue, Makoto; Kigawa, Takanori; Shirouzu, Mikako; Terada, Takaho; Yokoyama, Shigeyuki

Citation:

Citation: He, Fahu; Tsuda, Kengo; Takahashi, Mari; Kuwasako, Kanako; Terada, Takano; Shirouzu, Mikako; Watanabe, Satoru; Kigawa, Takanori; Kobayashi, Naohiro; Guntert, Peter; Yokoyama, Shigeyuki; Muto, Yutaka. "Structural insight into the interaction of ADP-ribose with the PARP WWE domains." FEBS Lett. 586, 3858-3864 (2012).
PubMed: 23010590

Assembly members:

Assembly members:
PARP11, polymer, 102 residues, Formula weight is not available

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: E. coli - cell free Vector: P-000001

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PARP11: GSSGSSGNEVDDMDTSDTQW GWFYLAECGKWHMFQPDTNS QCSVSSEDIEKSFKTNPCGS ISFTTSKFSYKIDFAEMKQM NLTTGKQRLIKRAPFSSGPS SG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	428
15N chemical shifts	100
1H chemical shifts	641

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	WWE	1

Entities:

Entity 1, WWE 102 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

ASN

GLU

VAL

2

ASP

MET

ASP

THR

SER

ASP

THR

GLN

TRP

3

GLY

TRP

PHE

TYR

LEU

ALA

GLU

CYS

GLY

LYS

4

TRP

HIS

MET

PHE

GLN

PRO

ASP

THR

ASN

SER

5

GLN

CYS

SER

VAL

SER

GLU

ASP

ILE

GLU

6

LYS

SER

PHE

LYS

THR

ASN

PRO

CYS

GLY

SER

7

ILE

SER

PHE

THR

SER

LYS

PHE

SER

TYR

8

LYS

ILE

ASP

PHE

ALA

GLU

MET

LYS

GLN

MET

9

ASN

LEU

THR

GLY

LYS

GLN

ARG

LEU

ILE

10

LYS

ARG

ALA

PRO

PHE

SER

GLY

PRO

SER

11

SER

GLY

Samples:

sample_1: PARP11, [U-99% 13C; U-99% 15N], 1.0 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

xwinnmr, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

NMRView, Johnson, One Moon Scientific - data analysis

Kujira, N. Kobayahsi - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement

NMR spectrometers:

Bruker Avance 800 MHz

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