BMRB Entry 25173

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for N-terminal domain of NikR
Published: 2015-10-23

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25173

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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 for N-terminal domain of NikR

Deposition date:

2014-08-25

Original release date:

2015-10-23

Authors:

Dobrovolska, Olena; Ciurli, Stefano

Citation:

Citation: Mazzei, Luca; Dobrovolska, Olena; Musiani, Francesco; Zambelli, Barbara; Ciurli, Stefano. "On the interaction of Helicobacter pylori NikR, a Ni(II)-responsive transcription factor, with the urease operator: in solution and in silico studies" J. Biol. Inorg. Chem. 20, 1021-1037 (2015).
PubMed: 26204982

Assembly members:

Assembly members:
NikR_N, polymer, 64 residues, Formula weight is not available

Natural source:

Natural source: Common Name: e-proteobacteria Taxonomy ID: 210 Superkingdom: Bacteria Kingdom: not available Genus/species: Helicobacter pylori

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NikR_N: GSHMDTPNKDDSIIRFSVSL QQNLLDELDNRIIKNGYSSR SELVRDMIREKLVEDNWAED NPND

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	143
15N chemical shifts	49
1H chemical shifts	48

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	N-terminal dopmain of NikR	1

Entities:

Entity 1, N-terminal dopmain of NikR 64 residues - Formula weight is not available

1

GLY

SER

HIS

MET

ASP

THR

PRO

ASN

LYS

ASP

2

ASP

SER

ILE

ARG

PHE

SER

VAL

SER

LEU

3

GLN

ASN

LEU

ASP

GLU

LEU

ASP

ASN

4

ARG

ILE

LYS

ASN

GLY

TYR

SER

ARG

5

SER

GLU

LEU

VAL

ARG

ASP

MET

ILE

ARG

GLU

6

LYS

LEU

VAL

GLU

ASP

ASN

TRP

ALA

GLU

ASP

7

ASN

PRO

ASN

ASP

Samples:

sample_1: NikR_N, [U-100% 13C; U-100% 15N], 1 mM; H2O 90%; D2O 10%; sodium chloride 0.15 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N 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
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1

Software:

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Avance 700 MHz

PDB	2CA9 2CAD 2CAJ 2WVB 2WVC 2WVD 2WVE 2WVF 3LGH 3PHT
DBJ	BAJ55866 BAJ56159 BAJ58846 BAJ60367 BAM97196
EMBL	CAX30022 CBI65698
GB	AAD06843 AAD08380 ABL95954 ACD48784 ACI28034
REF	NP_208130 WP_000354193 WP_000379491 WP_000379492 WP_000379493
SP	B2UVA2 B5Z8Y5 O25896 Q9ZJP7
AlphaFold	B2UVA2 B5Z8Y5 O25896 Q9ZJP7