BMRB Entry 18468

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PDB ID: 2lte
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18468
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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 NMR structure of the specialized acyl carrier protein PA3334 (apo) from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT415.

Deposition date:

2012-05-16

Original release date:

2012-07-11

Authors:

Ramelot, Theresa; Cort, John; Yang, Yunhuang; Garcia, Maite; Yee, Adelinda; Arrowsmith, Cheryl; Kennedy, Michael

Citation:

Citation: Ramelot, Theresa; Cort, John; Yang, Yunhuang; Garcia, Maite; Yee, Adelinda; Arrowsmith, Cheryl; Kennedy, Michael. "Solution NMR structure of the specialized acyl carrier protein PA3334 (apo) from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT415." .

Assembly members:

Assembly members:
PaT415, polymer, 103 residues, 12.2 Da.

Natural source:

Natural source: Common Name: g-proteobacteria Taxonomy ID: 297 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas aeruginosa

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: p11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PaT415: MGSSHDHHHHSSGRENLYFQ GHMPNDMEDHLLTVLSVASG VPKEEISRDSRMEDLAFDSL VVSELSLKLRKEFGVTGVDD ELDLLETVDELFQLVEKHRA AGS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	370
15N chemical shifts	76
1H chemical shifts	596

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PaT415	1

Entities:

Entity 1, PaT415 103 residues - 12.2 Da.

1

MET

GLY

SER

HIS

ASP

HIS

2

SER

GLY

ARG

GLU

ASN

LEU

TYR

PHE

GLN

3

GLY

HIS

MET

PRO

ASN

ASP

MET

GLU

ASP

HIS

4

LEU

THR

VAL

LEU

SER

VAL

ALA

SER

GLY

5

VAL

PRO

LYS

GLU

ILE

SER

ARG

ASP

SER

6

ARG

MET

GLU

ASP

LEU

ALA

PHE

ASP

SER

LEU

7

VAL

SER

GLU

LEU

SER

LEU

LYS

LEU

ARG

8

LYS

GLU

PHE

GLY

VAL

THR

GLY

VAL

ASP

9

GLU

LEU

ASP

LEU

GLU

THR

VAL

ASP

GLU

10

LEU

PHE

GLN

LEU

VAL

GLU

LYS

HIS

ARG

ALA

11

ALA

GLY

SER

Samples:

sample_1: PaT415, [U-100% 13C; U-100% 15N], 1.0 mM; TRIS 10 mM; sodium chloride 450 mM; DTT 10 mM; zinc chloride 0.01 mM; sodium azide 0.01%; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 250 mM; pH: 7.7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	anisotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
4D 1H-13C-13C-1H NOESY in D2O	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(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 C(CO)NH	sample_1	isotropic	sample_conditions_1
3D (H)CCH-TOCSY in D2O	sample_1	isotropic	sample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

FMCGUI v2.5 linux, (FMCGUI) Alex Lemak - refinement

SPARKY v3.113, Goddard - peak picking

TALOS+ vVersion 1.2009.0721.18, Shen, Cornilescu, Delaglio and Bax - predict dihedral angles

MDDGUI vJune2009, Alex Lemak, University of Toronto - processing

NMRPipe vNMRPipe-2008, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

Bruker AvanceIII 850 MHz
Bruker AvanceIII 600 MHz
Varian INOVA 800 MHz
Varian INOVA 600 MHz
Varian INOVA 500 MHz

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