BMRB Entry 20111

Name: Conformational Flexibility of SecA IRA1 Loop Region
Published: 2011-06-02

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20111

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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:

Conformational Flexibility of SecA IRA1 Loop Region

Deposition date:

2009-12-10

Original release date:

2011-06-02

Authors:

Palladino, Pasquale; Saviano, Gabriella; Tancredi, Teodorico; Ragone, Raffaele; Benedetti, Ettore; Rossi, Filomena

Citation:

Citation: Palladino, Pasquale; Saviano, Gabriella; Tancredi, Teodorico; Benedetti, Ettore; Rossi, Filomena; Ragone, Raffaele. "Structural determinants of protein translocation in bacteria: conformational flexibility of SecA IRA1 loop region." J. Pept. Sci. 17, 263-269 (2011).
PubMed: 21337475

Assembly members:

Assembly members:
SecA[788-804]Y794A, polymer, 17 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SecA[788-804]Y794A: GIHLRGAAQKDPKQEYK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
conformer_family_coord_set
- ensemble_coordinates
spectral_peak_list
- spectral_peak_list_1
- spectral_peak_list_2

Data type	Count
1H chemical shifts	120

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SecA fragment	1

Entities:

Entity 1, SecA fragment 17 residues - Formula weight is not available

1

GLY

ILE

HIS

LEU

ARG

GLY

ALA

GLN

LYS

2

ASP

PRO

LYS

GLN

GLU

TYR

LYS

Samples:

sample_1: SecA[788-804]Y794A 1 mM; TFEd2-OH, [U-100% 2H], 50 % v/v; H2O 50 % v/v

sample_conditions_1: pH: 5.1; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 600 MHz