BMRB Entry 27947

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments of oxidized (cysteine sulfinic acid 106) human DJ-1
Published: 2019-08-26

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27947

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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:

Backbone 1H, 13C, and 15N Chemical Shift Assignments of oxidized (cysteine sulfinic acid 106) human DJ-1

Deposition date:

2019-06-17

Original release date:

2019-08-26

Authors:

Luchinat, Enrico; Barbieri, Letizia

Citation:

Citation: Barbieri, Letizia; Luchinat, Enrico. "Backbone resonance assignment of human DJ-1 in the reduced state and in the cysteine sulfinic acid state" Biomol. NMR Assignments 13, 371-376 (2019).
PubMed: 31377986

Assembly members:

Assembly members:
DJ-1, polymer, 189 residues, 19878.94 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: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DJ-1: SASKRALVILAKGAEEMETV IPVDVMRRAGIKVTVAGLAG KDPVQCSRDVVICPDASLED AKKEGPYDVVVLPGGNLGAQ NLSESAAVKEILKEQENRKG LIAAIXAGPTALLAHEIGFG SKVTTHPLAKDKMMNGGHYT YSENRVEKDGLILTSRGPGT SFEFALAIVEALNGKEVAAQ VKAPLVLKD

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	540
15N chemical shifts	176
1H chemical shifts	176

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DJ-1 monomer oxidized, 1	1
2	DJ-1 monomer oxidized, 2	1

Entities:

Entity 1, DJ-1 monomer oxidized, 1 189 residues - 19878.94 Da.

Met1 is replaced by Ser1 as a leftover from the purification tag cleavage. Cys106 is oxidized to cysteine sulfinic acid.

1

SER

ALA

SER

LYS

ARG

ALA

LEU

VAL

ILE

LEU

2

ALA

LYS

GLY

ALA

GLU

MET

GLU

THR

VAL

3

ILE

PRO

VAL

ASP

VAL

MET

ARG

ALA

GLY

4

ILE

LYS

VAL

THR

VAL

ALA

GLY

LEU

ALA

GLY

5

LYS

ASP

PRO

VAL

GLN

CYS

SER

ARG

ASP

VAL

6

VAL

ILE

CYS

PRO

ASP

ALA

SER

LEU

GLU

ASP

7

ALA

LYS

GLU

GLY

PRO

TYR

ASP

VAL

8

VAL

LEU

PRO

GLY

ASN

LEU

GLY

ALA

GLN

9

ASN

LEU

SER

GLU

SER

ALA

VAL

LYS

GLU

10

ILE

LEU

LYS

GLU

GLN

GLU

ASN

ARG

LYS

GLY

11

LEU

ILE

ALA

ILE

CSD

ALA

GLY

PRO

THR

12

ALA

LEU

ALA

HIS

GLU

ILE

GLY

PHE

GLY

13

SER

LYS

VAL

THR

HIS

PRO

LEU

ALA

LYS

14

ASP

LYS

MET

ASN

GLY

HIS

TYR

THR

15

TYR

SER

GLU

ASN

ARG

VAL

GLU

LYS

ASP

GLY

16

LEU

ILE

LEU

THR

SER

ARG

GLY

PRO

GLY

THR

17

SER

PHE

GLU

PHE

ALA

LEU

ALA

ILE

VAL

GLU

18

ALA

LEU

ASN

GLY

LYS

GLU

VAL

ALA

GLN

19

VAL

LYS

ALA

PRO

LEU

VAL

LEU

LYS

ASP

Samples:

sample_1: DJ-1 Cys106-SO2-, [U-13C; U-15N], 410 uM; DTT 5 mM; potassium phosphate 20 mM

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

CARA v1.9.1.7, Fred Damberger, Rochus Keller - chemical shift assignment

NMR spectrometers:

Bruker Avance III 950 MHz
Bruker Avance NEO 500 MHz