BMRB Entry 18102

Name: Structure, Activity and Interactions of the Cysteine Deleted Analog of Tachyplesin-1 with Lipopolysaccharide Micelles
Published: 2012-04-23

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PDB ID: 2lm8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18102
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Structure, Activity and Interactions of the Cysteine Deleted Analog of Tachyplesin-1 with Lipopolysaccharide Micelles PubMed: 22464970

Deposition date: 2011-11-25 Original release date: 2012-04-23

Authors: Joshi, Mangesh; Bhattacharjya, Surajit; Saravanan, Rathi

Citation: Saravanan, Rathi; Mohanram, Harini; Joshi, Mangesh; Domadia, Prerna; Torres, Jaume; Ruedl, Christiane; Bhattacharjya, Surajit. "Structure, activity and interactions of the cysteine deleted analog of tachyplesin-1 with lipopolysaccharide micelle: Mechanistic insights into outer-membrane permeabilization and endotoxin neutralization." Biochim. Biophys. Acta 1818, 1613-1624 (2012).

Assembly members:
CDT-LPS, polymer, 13 residues, 1862.254 Da.

Natural source: Common Name: horseshoe crab Taxonomy ID: 6853 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Tachypleus tridentatus

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
CDT-LPS: KWFRVYRGIYRRR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	88

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Cysteine Deleted Analog of Tachyplesin-1	1

Entities:

Entity 1, Cysteine Deleted Analog of Tachyplesin-1 13 residues - 1862.254 Da.

1

LYS

TRP

PHE

ARG

VAL

TYR

ARG

GLY

ILE

TYR

2

ARG

Samples:

sample_1: CDT-LPS 0.5 mM; D2O 100%

sample_conditions_1: ionic strength: 0 M; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

SPARKY, Goddard - chemical shift assignment, data analysis

TOPSPIN v2.1, Bruker Biospin - collection, processing

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker DRX 600 MHz