BMRB Entry 34011

Name: Solution structure of the bacterial toxin LdrD in Tetrafluorethanol
Published: 2017-07-26

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PDB ID: 5lbj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34011
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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 the bacterial toxin LdrD in Tetrafluorethanol

Deposition date:

2016-06-16

Original release date:

2017-07-26

Authors:

Meyer, N.

Citation:

Citation: Meyer, N.. "Solution structure of the bacterial toxin LdrD in Tetrafluorethanol" to be published ., .-..

Assembly members:

Assembly members:
Small toxic polypeptide LdrD, polymer, 35 residues, 3920.710 Da.

Natural source:

Natural source: Common Name: Escherichia coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Small toxic polypeptide LdrD: MTFAELGMAFWHDLAAPVIA GILASMIVNWLNKRK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	118
1H chemical shifts	178

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 35 residues - 3920.710 Da.

1

MET

THR

PHE

ALA

GLU

LEU

GLY

MET

ALA

PHE

2

TRP

HIS

ASP

LEU

ALA

PRO

VAL

ILE

ALA

3

GLY

ILE

LEU

ALA

SER

MET

ILE

VAL

ASN

TRP

4

LEU

ASN

LYS

ARG

LYS

Samples:

sample_1: LdrD, 1H, 1 mM

sample_conditions_1: ionic strength: 0 mM; pH: 7; pressure: 1 bar; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	isotropic	sample_conditions_1
2D TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

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

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

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

SPARKY, Goddard - peak picking

NMR spectrometers:

Bruker AvanceIII 700 MHz