BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 34109

Title: NMR structure of TLR4 transmembrane domain (624-657) in DPC micelles   PubMed: 28761155

Deposition date: 2017-02-28 Original release date: 2018-03-16

Authors: Mineev, K.; Goncharuk, S.; Goncharuk, M.; Arseniev, A.

Citation: Mineev, K.; Goncharuk, S.; Goncharuk, M.; Volynsky, P.; Novikova, E.; Aresinev, A.. "Spatial structure of TLR4 transmembrane domain in bicelles provides the insight into the receptor activation mechanism."  Sci. Rep. 7, 6864-6864 (2017).

Assembly members:
entity_1, polymer, 35 residues, 3903.716 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
entity_1: MNITSQMNKTIIGVSVLSVL VVSVVAVLVYKFYFH

Data sets:
Data typeCount
13C chemical shifts158
15N chemical shifts34
1H chemical shifts258

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 35 residues - 3903.716 Da.

1   METASNILETHRSERGLNMETASNLYSTHR
2   ILEILEGLYVALSERVALLEUSERVALLEU
3   VALVALSERVALVALALAVALLEUVALTYR
4   LYSPHETYRPHEHIS

Samples:

sample_1: TLR4-TM, [U-100% 13C; U-100% 15N], 1.0 ± 0.1 mM; DPC, [U-99% 2H], 100 ± 1 mM; sodium phosphate 20 mM; sodium azide 0.01%

sample_conditions_1: ionic strength: 20 mM; pH: 6.0; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1

Software:

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation

CARA v1.9.1, Keller and Wuthrich - chemical shift assignment

TOPSPIN v3.5, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AvanceIII 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts