BMRB Entry 34480

Name: Solution structure of Legionella pneumophila NttA
Published: 2020-07-20

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PDB ID: 6xtt
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34480
MolProbity Validation Chart

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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:

Solution structure of Legionella pneumophila NttA

Deposition date:

2020-01-16

Original release date:

2020-07-20

Authors:

Portlock, T.; Garnett, J.

Citation:

Citation: Portlock, Theo; Tyson, Jessica; Dantu, Sarath; Rehman, Saima; White, Richard; McIntire, Ian; Sewell, Lee; Richardson, Katherine; Shaw, Rosie; Pandini, Alessandro; Cianciotto, Nicholas; Garnett, James. "Structure, Dynamics and Cellular Insight Into Novel Substrates of the Legionella pneumophila Type II Secretion System" Front. Mol. Biosci. 7, 112-112 (2020).
PubMed: 32656228

Assembly members:

Assembly members:
entity_1, polymer, 116 residues, 13333.118 Da.

Natural source:

Natural source: Common Name: Legionella pneumophila Taxonomy ID: 446 Superkingdom: Bacteria Kingdom: not available Genus/species: Legionella pneumophila

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MAHHHHHHVDDDDKMEDTAN PNEMTKDAWLNSMTPLLPDL ICKGFIQDPDLKKRFDEIKM TYEQCVTLIPESTKKCQDEL YASMPDKINSETAGTWGRSL GECIGKDFAEKHLIPK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	485
15N chemical shifts	103
1H chemical shifts	754

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 116 residues - 13333.118 Da.

1

MET

ALA

HIS

VAL

ASP

2

ASP

LYS

MET

GLU

ASP

THR

ALA

ASN

3

PRO

ASN

GLU

MET

THR

LYS

ASP

ALA

TRP

LEU

4

ASN

SER

MET

THR

PRO

LEU

PRO

ASP

LEU

5

ILE

CYS

LYS

GLY

PHE

ILE

GLN

ASP

PRO

ASP

6

LEU

LYS

ARG

PHE

ASP

GLU

ILE

LYS

MET

7

THR

TYR

GLU

GLN

CYS

VAL

THR

LEU

ILE

PRO

8

GLU

SER

THR

LYS

CYS

GLN

ASP

GLU

LEU

9

TYR

ALA

SER

MET

PRO

ASP

LYS

ILE

ASN

SER

10

GLU

THR

ALA

GLY

THR

TRP

GLY

ARG

SER

LEU

11

GLY

GLU

CYS

ILE

GLY

LYS

ASP

PHE

ALA

GLU

12

LYS

HIS

LEU

ILE

PRO

LYS

Samples:

sample_1: NttA, [U-99% 13C; U-99% 15N], 0.4 mM; sodium phosphate 50 mM; sodium chloride 50 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D CCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

ARIA, Linge, O'Donoghue and Nilges - structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE III 700 MHz

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