BMRB Entry 27012

Name: Chemical shift assignments (HN,N,CA,CB) of oxidised n-NmDsbD
Published: 2017-06-30

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27012

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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:

Chemical shift assignments (HN,N,CA,CB) of oxidised n-NmDsbD

Deposition date:

2017-01-26

Original release date:

2017-06-30

Authors:

Smith, Roxanne; Mohanty, Biswaranjan; Williams, Martin; Heras, Begona; Scanlon, Martin

Citation:

Citation: Smith, Roxanne; Mohanty, Biswaranjan; Williams, Martin; Scanlon, Martin; Heras, Begona. "H(N), N, C(alpha) and C(beta) assignments of the two periplasmic domains of Neisseria meningitidis DsbD" Biomol. NMR Assign. 11, 181-186 (2017).
PubMed: 28589218

Assembly members:

Assembly members:
Oxidised_n-NmDsbD, polymer, 147 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Neisseria meningitidis Taxonomy ID: 487 Superkingdom: Bacteria Kingdom: not available Genus/species: Neisseria meningitidis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pMCSG7

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Oxidised_n-NmDsbD: MHHHHHHSSGVDLGTENLYF QSNANDLLPPEKAFVPELAV ADDGVNVRFRIADGYYMYQA KIVGKTDPADLLGQPSFSKG EEKEDEFFGRQTVYHHEAQV AFPYAKAVGEPYKLVLTYQG CAEVGVCYPPVDTEFDISGN GTYHPQT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	261
15N chemical shifts	128
1H chemical shifts	128

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	N-terminal periplasmic domain NmDsbD	1

Entities:

Entity 1, N-terminal periplasmic domain NmDsbD 147 residues - Formula weight is not available

1

MET

HIS

SER

GLY

2

VAL

ASP

LEU

GLY

THR

GLU

ASN

LEU

TYR

PHE

3

GLN

SER

ASN

ALA

ASN

ASP

LEU

PRO

4

GLU

LYS

ALA

PHE

VAL

PRO

GLU

LEU

ALA

VAL

5

ALA

ASP

GLY

VAL

ASN

VAL

ARG

PHE

ARG

6

ILE

ALA

ASP

GLY

TYR

MET

TYR

GLN

ALA

7

LYS

ILE

VAL

GLY

LYS

THR

ASP

PRO

ALA

ASP

8

LEU

GLY

GLN

PRO

SER

PHE

SER

LYS

GLY

9

GLU

LYS

GLU

ASP

GLU

PHE

GLY

ARG

10

GLN

THR

VAL

TYR

HIS

GLU

ALA

GLN

VAL

11

ALA

PHE

PRO

TYR

ALA

LYS

ALA

VAL

GLY

GLU

12

PRO

TYR

LYS

LEU

VAL

LEU

THR

TYR

GLN

GLY

13

CYS

ALA

GLU

VAL

GLY

VAL

CYS

TYR

PRO

14

VAL

ASP

THR

GLU

PHE

ASP

ILE

SER

GLY

ASN

15

GLY

THR

TYR

HIS

PRO

GLN

THR

Samples:

sample_1: Oxidised n-NmDsbD, [U-98% 13C; U-98% 15N], 1 mM; D2O 10%; H2O 90%; sodium phosphate 10 mM; sodium chloride 50 mM

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

UNIO-MATCH v2.0.2, Volk,J., Herrmann,T.,Wuthrich,K. - chemical shift assignment

CARA, Keller, K. and Wuthrich, K. - chemical shift calculation, data analysis, peak picking

Topspin v3.2, Bruker - Acquisition, processing

NMR spectrometers:

Bruker Avance 600 MHz

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