BMRB Entry 19635

Name: Solution structure of TpsB4 N-terminal POTRA domain from Pseudomonas aeruginosa
Published: 2014-12-22

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PDB ID: 2mhj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19635
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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 TpsB4 N-terminal POTRA domain from Pseudomonas aeruginosa

Deposition date:

2013-11-25

Original release date:

2014-12-22

Authors:

Garnett, James; Matthews, Steve

Citation:

Citation: Garnett, James; Matthews, Steve. "Structure-function analysis reveals a dual role of the Pseudomonas aeruginosa Tps4 two-partner secretion system" .

Assembly members:

Assembly members:
TpsB4, polymer, 95 residues, 10764.220 Da.

Natural source:

Natural source: Common Name: g-proteobacteria Taxonomy ID: 287 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas aeruginosa

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET46 LIC/Ek

Entity Sequences (FASTA):

Entity Sequences (FASTA):
TpsB4: MAHHHHHHVDDDDKMGGPTV LVKRFQLSGNRQFDDRRLLA LLHDLPGQELNLSQLHAAAA RIGDFYQEKGYVLARAFLPA QEIQDGTVRIEVLEG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	388
15N chemical shifts	83
1H chemical shifts	607

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	TpsB4	1

Entities:

Entity 1, TpsB4 95 residues - 10764.220 Da.

Residues 1-15 represent a non-native affinity tag. Residues 16-95 correspond to residues 42-121 of mature TpsB4.

1

MET

ALA

HIS

VAL

ASP

2

ASP

LYS

MET

GLY

PRO

THR

VAL

3

LEU

VAL

LYS

ARG

PHE

GLN

LEU

SER

GLY

ASN

4

ARG

GLN

PHE

ASP

ARG

LEU

ALA

5

LEU

HIS

ASP

LEU

PRO

GLY

GLN

GLU

LEU

6

ASN

LEU

SER

GLN

LEU

HIS

ALA

7

ARG

ILE

GLY

ASP

PHE

TYR

GLN

GLU

LYS

GLY

8

TYR

VAL

LEU

ALA

ARG

ALA

PHE

LEU

PRO

ALA

9

GLN

GLU

ILE

GLN

ASP

GLY

THR

VAL

ARG

ILE

10

GLU

VAL

LEU

GLU

GLY

Samples:

sample_1: TpsB4, [U-13C; U-15N], 1 mM; H2O 95%; D2O, [U-100% 2H], 5%

sample_2: TpsB4, [U-13C; U-15N], 1 mM; D2O, [U-100% 2H], 100%

sample_conditions_1: ionic strength: 0.2 M; 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
2D 1H-13C HSQC aliphatic	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

ARIA v2.1, Linge, O'Donoghue and Nilges - structure solution

NMR spectrometers:

Bruker DRX 500 MHz
Bruker DRX 600 MHz
Bruker DRX 800 MHz

DBJ	BAK87931 BAP21481 BAP53040 BAQ42187 BAR69849
EMBL	CAW29677 CCQ83911 CDH73159 CDH79418 CDI95309
GB	AAG07928 ABJ13808 AEO77112 AFM66993 AGI83581
REF	NP_253230 WP_003094678 WP_003112835 WP_003120951 WP_003122077