BMRB Entry 15715

Name: NMR Assignments of Methionine Sulfoxide Reductase B2 from Homo sapiens
Published: 2008-10-15

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15715

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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:

NMR Assignments of Methionine Sulfoxide Reductase B2 from Homo sapiens

Deposition date:

2008-04-03

Original release date:

2008-10-15

Authors:

Breivik, Aashild; Aachmann, Finn; Dikiy, Alexander

Citation:

Citation: Breivik, Aashild; Aachmann, Finn; Sal, Lena; Kim, Hwa-Young; Del Conte, Rebecca; Gladyshev, Vadim; Dikiy, Alexander. "1H, 15N and 13C NMR assignments of mouse methionine sulfoxide reductase B2" Biomol. NMR Assignments 2, 199-201 (2008).
PubMed: 19636904

Assembly members:

Assembly members:
Methionine_Sulfoxide_Reductase_B2, polymer, 143 residues, Formula weight is not available
ZN, non-polymer, 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: Escherichia coli Vector: pMsrb2ds

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Methionine_Sulfoxide_Reductase_B2: MADWQKKLTPEQFYVTREKG TEAPFSGMYLNNKETGMYHC VCCDSPLFSSEKKYCSGTGW PSFSEAYGSKGSDESHTGIL RRLDTSLGCPRMEVVCKQCE AHLGHVFPDGPKPTGQRFCI NSVALKFKPSKPAAALEHHH HHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	516
15N chemical shifts	132
1H chemical shifts	812

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MsrB2dS	1
2	Zinc ion	2

Entities:

Entity 1, MsrB2dS 143 residues - Formula weight is not available

The N-terminal signal from MsrB2 was removed (1-39). Met residue was added on the N-terminal and His-tag was added C-terminal (157-166)

1

MET

ALA

ASP

TRP

GLN

LYS

LEU

THR

PRO

2

GLU

GLN

PHE

TYR

VAL

THR

ARG

GLU

LYS

GLY

3

THR

GLU

ALA

PRO

PHE

SER

GLY

MET

TYR

LEU

4

ASN

LYS

GLU

THR

GLY

MET

TYR

HIS

CYS

5

VAL

CYS

ASP

SER

PRO

LEU

PHE

SER

6

GLU

LYS

TYR

CYS

SER

GLY

THR

GLY

TRP

7

PRO

SER

PHE

SER

GLU

ALA

TYR

GLY

SER

LYS

8

GLY

SER

ASP

GLU

SER

HIS

THR

GLY

ILE

LEU

9

ARG

LEU

ASP

THR

SER

LEU

GLY

CYS

PRO

10

ARG

MET

GLU

VAL

CYS

LYS

GLN

CYS

GLU

11

ALA

HIS

LEU

GLY

HIS

VAL

PHE

PRO

ASP

GLY

12

PRO

LYS

PRO

THR

GLY

GLN

ARG

PHE

CYS

ILE

13

ASN

SER

VAL

ALA

LEU

LYS

PHE

LYS

PRO

SER

14

LYS

PRO

ALA

LEU

GLU

HIS

15

HIS

Entity 2, Zinc ion - Formula weight is not available

1

ZN

Samples:

D2O_MsrB2dS: Methionine Sulfoxide Reductase B2, [U-98% 13C; U-98% 15N], 1.1 ± 0.1 mM; Zinc ion 1.1 ± 0.1 mM; DTT 5 ± 0.1 mM; sodium phosphate 20 ± 0.5 mM; sodium chloride 25 ± 0.5 mM

H2O_MsrB2dS: Methionine Sulfoxide Reductase B2, [U-98% 13C; U-98% 15N], 1.1 ± 0.1 mM; Zinc ion 1.1 ± 0.1 mM; DTT 5 ± 0.1 mM; sodium phosphate 20 ± 0.5 mM; sodium chloride 25 ± 0.5 mM

sample_conditions_1: ionic strength: 0.06 M; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	H2O_MsrB2dS	isotropic	sample_conditions_1
2D 1H-13C HSQC	D2O_MsrB2dS	isotropic	sample_conditions_1
3D CBCA(CO)NH	H2O_MsrB2dS	isotropic	sample_conditions_1
3D HNCO	H2O_MsrB2dS	isotropic	sample_conditions_1
3D HNCA	H2O_MsrB2dS	isotropic	sample_conditions_1
3D HNCACB	H2O_MsrB2dS	isotropic	sample_conditions_1
3D HBHA(CO)NH	H2O_MsrB2dS	isotropic	sample_conditions_1
3D HN(CO)CA	H2O_MsrB2dS	isotropic	sample_conditions_1
3D HCCH-TOCSY	D2O_MsrB2dS	isotropic	sample_conditions_1
3D HCCH-COSY	D2O_MsrB2dS	isotropic	sample_conditions_1
3D 15N HSQC NOESY	D2O_MsrB2dS	isotropic	sample_conditions_1

Software:

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis

xwinnmr v3.5, Bruker Biospin - collection, processing

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

PDB	2L1U
GB	AAH21619 AAH98953 EDL08114 EDL78778
REF	NP_001026830 NP_083895 XP_006497626
SP	Q4FZX5 Q78J03
AlphaFold	Q4FZX5 Q78J03