BMRB Entry 19848

Name: NMR solution structure of PA3793 from Pseudomonas aeruginosa
Published: 2014-04-28

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PDB ID: 4csq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19848
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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:

NMR solution structure of PA3793 from Pseudomonas aeruginosa

Deposition date:

2014-03-11

Original release date:

2014-04-28

Authors:

Mayzel, M.; Schnell, R.; Schneider, G.; Karlsson, Goran

Citation:

Citation: Schneider, G.; Schnell, R.; Mayzel, M.; Karlsson, Goran. "NMR SOLUTION STRUCTURE OF PA3793 FROM PSEUDOMONAS" .

Assembly members:

Assembly members:
UNCHARACTERIZED_PROTEIN, polymer, 113 residues, 12725.7071 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: E. coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
UNCHARACTERIZED_PROTEIN: GSHMTTQRYLLDELETADML EIDGLHAWRFELNENLLDQA DLAAEADQPFASEDWVLAVE SLDGRTRREWRFSYNAVMEA EPQADGESWRLTTGEGAYQL RCLGAVSASGEDE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	462
15N chemical shifts	120
1H chemical shifts	729

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PA3793 from Pseudomonas aeruginosa	1

Entities:

Entity 1, PA3793 from Pseudomonas aeruginosa 113 residues - 12725.7071 Da.

1

GLY

SER

HIS

MET

THR

GLN

ARG

TYR

LEU

2

LEU

ASP

GLU

LEU

GLU

THR

ALA

ASP

MET

LEU

3

GLU

ILE

ASP

GLY

LEU

HIS

ALA

TRP

ARG

PHE

4

GLU

LEU

ASN

GLU

ASN

LEU

ASP

GLN

ALA

5

ASP

LEU

ALA

GLU

ALA

ASP

GLN

PRO

PHE

6

ALA

SER

GLU

ASP

TRP

VAL

LEU

ALA

VAL

GLU

7

SER

LEU

ASP

GLY

ARG

THR

ARG

GLU

TRP

8

ARG

PHE

SER

TYR

ASN

ALA

VAL

MET

GLU

ALA

9

GLU

PRO

GLN

ALA

ASP

GLY

GLU

SER

TRP

ARG

10

LEU

THR

GLY

GLU

GLY

ALA

TYR

GLN

LEU

11

ARG

CYS

LEU

GLY

ALA

VAL

SER

ALA

SER

GLY

12

GLU

ASP

GLU

Samples:

sample_1: UNCHARACTERIZED PROTEIN, [U-13C; U-15N], 1.6 mM

sample_2: UNCHARACTERIZED PROTEIN, [U-13C; U-15N], 1.6 mM

sample_3: UNCHARACTERIZED PROTEIN 1.6 mM

sample_conditions_1: ionic strength: 70.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
15Nnoesy	sample_1	solution	sample_conditions_1
15Nhsqc	sample_1	solution	sample_conditions_1
backbone exps	sample_1	solution	sample_conditions_1
13C noesy	sample_2	solution	sample_conditions_1
2D noesy	sample_3	solution	sample_conditions_1
2D tocsy	sample_3	solution	sample_conditions_1

Software:

AutoDep v4.3, Sen et al. - collection

Analysis vany, CCPN - chemical shift assignment

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment

NMR spectrometers:

Varian UnityInova 900 MHz

UNP	Q9HXK4
AlphaFold	Q9HXK4