BMRB Entry 27014

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

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27014

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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 c-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_c-NmDsbD, polymer, 139 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_c-NmDsbD: MHHHHHHSSGVDLGTENLYF QSNAMFADTAALKAAMDTAL KEHPDKPVVLDFYADWCISC KEMAAYTLNQPEVHQAVDME RFFQIDVTANKPEHQALLKE YGLFGPPGVFVVRSDGSRSE PLLGFVKADKFIEWYEQNR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	255
15N chemical shifts	124
1H chemical shifts	124

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

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

Entities:

Entity 1, C-terminal periplasmic domain NmDsbD 139 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

MET

PHE

ALA

ASP

THR

ALA

4

ALA

LEU

LYS

ALA

MET

ASP

THR

ALA

LEU

5

LYS

GLU

HIS

PRO

ASP

LYS

PRO

VAL

LEU

6

ASP

PHE

TYR

ALA

ASP

TRP

CYS

ILE

SER

CYS

7

LYS

GLU

MET

ALA

TYR

THR

LEU

ASN

GLN

8

PRO

GLU

VAL

HIS

GLN

ALA

VAL

ASP

MET

GLU

9

ARG

PHE

GLN

ILE

ASP

VAL

THR

ALA

ASN

10

LYS

PRO

GLU

HIS

GLN

ALA

LEU

LYS

GLU

11

TYR

GLY

LEU

PHE

GLY

PRO

GLY

VAL

PHE

12

VAL

ARG

SER

ASP

GLY

SER

ARG

SER

GLU

13

PRO

LEU

GLY

PHE

VAL

LYS

ALA

ASP

LYS

14

PHE

ILE

GLU

TRP

TYR

GLU

GLN

ASN

ARG

Samples:

sample_1: Oxidised c-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