BMRB Entry 50870

Name: NUDT9 - ADPR complex
Published: 2021-07-14

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50870

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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:

NUDT9 - ADPR complex

Deposition date:

2021-04-02

Original release date:

2021-07-14

Authors:

Gattkowski, Ellen; Rutherford, Trevor; Moeckl, Franziska; Sander, Simon; Fliegert, Ralf; Tidow, Henning

Citation:

Citation: Gattkowski, Ellen; Rutherford, Trevor; Moeckl, Franziska; Sander, Simon; Fliegert, Ralf; Tidow, Henning. "Analysis of ligand binding and resulting conformational changes in pyrophosphatase NUDT9" FEBS J. 288, 6769-6782 (2021).
PubMed: 34189846

Assembly members:

Assembly members:
entity_1, polymer, 288 residues, Formula weight is not available
entity_APR, non-polymer, 559.316 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: pET51b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MENSHNKARTSPYPGSKVER SQVPNEKVGWLVEWQDYKPV EYTAVSVLAGPRWADPQISE SNFSPKFNEKDGHVERKSKN GLYEIENGRPRNPAGRTGLV GRGLLGRWGPNHAADPIITR WKRDSSGNKIMHPVSGKHIL QFVAIKRKDCGEWAIPGGMV DPGEKISATLKRILGEEALN SLQKTSAEKREIEEKLHKLF SQDHLVIYKGYVDDPRNTDN AWMETEAVNYHDETGEIMDN LMLEAGDDAGKVKWVDINDK LKLYASHSQFIKLVAEKRDA HWENLYFQ

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	747
15N chemical shifts	231
1H chemical shifts	231

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NUDT9	1
2	ADPR	2

Entities:

Entity 1, NUDT9 288 residues - Formula weight is not available

1

MET

GLU

ASN

SER

HIS

ASN

LYS

ALA

ARG

THR

2

SER

PRO

TYR

PRO

GLY

SER

LYS

VAL

GLU

ARG

3

SER

GLN

VAL

PRO

ASN

GLU

LYS

VAL

GLY

TRP

4

LEU

VAL

GLU

TRP

GLN

ASP

TYR

LYS

PRO

VAL

5

GLU

TYR

THR

ALA

VAL

SER

VAL

LEU

ALA

GLY

6

PRO

ARG

TRP

ALA

ASP

PRO

GLN

ILE

SER

GLU

7

SER

ASN

PHE

SER

PRO

LYS

PHE

ASN

GLU

LYS

8

ASP

GLY

HIS

VAL

GLU

ARG

LYS

SER

LYS

ASN

9

GLY

LEU

TYR

GLU

ILE

GLU

ASN

GLY

ARG

PRO

10

ARG

ASN

PRO

ALA

GLY

ARG

THR

GLY

LEU

VAL

11

GLY

ARG

GLY

LEU

GLY

ARG

TRP

GLY

PRO

12

ASN

HIS

ALA

ASP

PRO

ILE

THR

ARG

13

TRP

LYS

ARG

ASP

SER

GLY

ASN

LYS

ILE

14

MET

HIS

PRO

VAL

SER

GLY

LYS

HIS

ILE

LEU

15

GLN

PHE

VAL

ALA

ILE

LYS

ARG

LYS

ASP

CYS

16

GLY

GLU

TRP

ALA

ILE

PRO

GLY

MET

VAL

17

ASP

PRO

GLY

GLU

LYS

ILE

SER

ALA

THR

LEU

18

LYS

ARG

ILE

LEU

GLY

GLU

ALA

LEU

ASN

19

SER

LEU

GLN

LYS

THR

SER

ALA

GLU

LYS

ARG

20

GLU

ILE

GLU

LYS

LEU

HIS

LYS

LEU

PHE

21

SER

GLN

ASP

HIS

LEU

VAL

ILE

TYR

LYS

GLY

22

TYR

VAL

ASP

PRO

ARG

ASN

THR

ASP

ASN

23

ALA

TRP

MET

GLU

THR

GLU

ALA

VAL

ASN

TYR

24

HIS

ASP

GLU

THR

GLY

GLU

ILE

MET

ASP

ASN

25

LEU

MET

LEU

GLU

ALA

GLY

ASP

ALA

GLY

26

LYS

VAL

LYS

TRP

VAL

ASP

ILE

ASN

ASP

LYS

27

LEU

LYS

LEU

TYR

ALA

SER

HIS

SER

GLN

PHE

28

ILE

LYS

LEU

VAL

ALA

GLU

LYS

ARG

ASP

ALA

29

HIS

TRP

GLU

ASN

LEU

TYR

PHE

GLN

Entity 2, ADPR - C15 H23 N5 O14 P2 - 559.316 Da.

1

APR

Samples:

sample_1: NUDT9, [U-13C; U-15N; U-2H], 233 uM; ADP ribose 1 mM; D2O, [U-99% 2H], 5%; HEPES 20 mM; sodium chloride 150 mM; calcium chloride 5 mM

sample_conditions_1: ionic strength: 174 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N BEST-TROSY	sample_1	isotropic	sample_conditions_1
3D trHNCACO	sample_1	isotropic	sample_conditions_1
3D trHNCA	sample_1	isotropic	sample_conditions_1
3D trHNCACB	sample_1	isotropic	sample_conditions_1
3D trHNCO	sample_1	isotropic	sample_conditions_1
3D trHN(COCA)CB	sample_1	isotropic	sample_conditions_1
3D trHN(CO)CA	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.6.0 - collection

TOPSPIN v3.2 - processing

NMRFAM-SPARKY v1.3 - peak picking

MARS v1.1 - chemical shift assignment

NMR spectrometers:

Bruker Avance II+ 700 MHz

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