BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 34108

Title: NMR structure of TLR4 transmembrane domain (624-670) in DMPG/DHPC bicelles   PubMed: 28761155

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, 48 residues, 5282.465 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 VVSVVAVLVYKFYFHLMLLA GCIKYGRG

Data typeCount
13C chemical shifts657
15N chemical shifts145
1H chemical shifts1098

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 48 residues - 5282.465 Da.

1   METASNILETHRSERGLNMETASNLYSTHR
2   ILEILEGLYVALSERVALLEUSERVALLEU
3   VALVALSERVALVALALAVALLEUVALTYR
4   LYSPHETYRPHEHISLEUMETLEULEUALA
5   GLYCYSILELYSTYRGLYARGGLY

Samples:

sample_1: DHPC 71 ± 1 mM; DMPG 29 ± 1 mM; TLR4-TM, [U-13C; U-15N], 0.5 ± 0.05 mM; imidazole 10 mM; sodium azide 0.01%

sample_2: DHPC 71 ± 1 mM; DMPC 29 ± 1 mM; TLR4-TM, [U-13C; U-15N], 0.5 ± 0.05 mM; imidazole 10 mM; sodium azide 0.01%

sample_3: DPC, [U-2H], 50 ± 1 mM; TLR4-TM, [U-13C; U-15N], 0.5 ± 0.05 mM; imidazole 10 mM; sodium azide 0.01%

sample_conditions_1: ionic strength: 10 mM; pH: 6.0; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_3isotropicsample_conditions_1
3D HNCAsample_3isotropicsample_conditions_1

Software:

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

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

TOPSPIN v3.5, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AvanceIII 600 MHz
  • Bruker AvanceIII 800 MHz

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