BMRB Entry 52595

Name: 13C, 15N and 1H Assigned Chemical Shifts for Staphylococcus aureus Response Regulator ArlR DNA-binding domain
Published: 2024-09-07

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PDB ID: 9dlu
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52595
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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:

13C, 15N and 1H Assigned Chemical Shifts for Staphylococcus aureus Response Regulator ArlR DNA-binding domain

Deposition date:

2024-08-30

Original release date:

2024-09-07

Authors:

Rafid Feisal, Mohammad; Mercier, Pascal; Mak, Kevin; Liu, Philip; Wen, Yurong; Hwang, Peter

Citation:

Citation: Rafid Feisal, Mohammad; Mercier, Pascal; Mak, Kevin; Liu, Philip; Wen, Yurong; Hwang, Peter. "Structure and dynamics of Staphylococcus aureus response regulator ArlR DNA-binding domain by solution NMR" .

Assembly members:

Assembly members:
entity_1, polymer, 105 residues, 12400.10 Da.

Natural source:

Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGHHHHHHDIIDVNGITIDK NAFKVTVNGAEIELTKTEYD LLYLLAENKNHVMQREQILN HVWGYNSEVETNVVDVYIRY LRNKLKPYDRDKMIETVRGV GYVIR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	452
15N chemical shifts	94
1H chemical shifts	704

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ArlR	1

Entities:

Entity 1, ArlR 105 residues - 12400.10 Da.

115-122 are the Histag residues MGHHHHHH; 123-219 are from the ArlR DNA-binding domain of the response regulator ArlR.

1

MET

GLY

HIS

ASP

ILE

2

ILE

ASP

VAL

ASN

GLY

ILE

THR

ILE

ASP

LYS

3

ASN

ALA

PHE

LYS

VAL

THR

VAL

ASN

GLY

ALA

4

GLU

ILE

GLU

LEU

THR

LYS

THR

GLU

TYR

ASP

5

LEU

TYR

LEU

ALA

GLU

ASN

LYS

ASN

6

HIS

VAL

MET

GLN

ARG

GLU

GLN

ILE

LEU

ASN

7

HIS

VAL

TRP

GLY

TYR

ASN

SER

GLU

VAL

GLU

8

THR

ASN

VAL

ASP

VAL

TYR

ILE

ARG

TYR

9

LEU

ARG

ASN

LYS

LEU

LYS

PRO

TYR

ASP

ARG

10

ASP

LYS

MET

ILE

GLU

THR

VAL

ARG

GLY

VAL

11

GLY

TYR

VAL

ILE

ARG

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCACONH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCACO	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_3	isotropic	sample_conditions_1

BMRB Entry 52595

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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