warning: failed to read freetag - ' _nef_spectrum_dimension\.is_acquisition'
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warning: failed to read freetag - ' _nef_spectrum_dimension\.is_acquisition'
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BMRB Entry 51025 BMRB - Biological Magnetic Resonance Bank

BMRB Entry 51025

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51025

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All files associated with the entry

Title:
S64V-EmrE with harmane, pH 5.6
Deposition date:
2021-07-23
Original release date:
2022-06-08
Authors:
Spreacker, Peyton; Tonelli, Marco; Henzler-Wildman, Katherine
Citation:

Citation: Spreacker, Peyton; Thomas, Nathan; Beeninga, Will; Brousseau, Merissa; Porter, Colin; Hibbs, Kylie; Henzler-Wildman, Katherine. "Activating alternative transport modes in a multidrug resistance efflux pump to confer chemical susceptibility"  Nat. Commun. 13, 7655-7655 (2022).
PubMed: 36496486

Assembly members:

Assembly members:
entity_1, polymer, 110 residues, 11972.4008 Da.
entity_NRH, non-polymer, 168.195 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MNPYIYLGGAILAEVIGTTL MKFSEGFTRLWPSVGTIICY CASFWLLAQTLAYIPTGIAY AIWVGVGIVLISLLSWGFFG QRLDLPAIIGMMLICAGVLI INLLSRSTPH

Data typeCount
13C chemical shifts386
15N chemical shifts183
1H chemical shifts183

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1S64V-EmrE, Chain A1
2S64V-EmrE, Chain B1
3harmane2

Entities:

Entity 1, S64V-EmrE, Chain A 110 residues - 11972.4008 Da.

1   METASNPROTYRILETYRLEUGLYGLYALA
2   ILELEUALAGLUVALILEGLYTHRTHRLEU
3   METLYSPHESERGLUGLYPHETHRARGLEU
4   TRPPROSERVALGLYTHRILEILECYSTYR
5   CYSALASERPHETRPLEULEUALAGLNTHR
6   LEUALATYRILEPROTHRGLYILEALATYR
7   ALAILETRPVALGLYVALGLYILEVALLEU
8   ILESERLEULEUSERTRPGLYPHEPHEGLY
9   GLNARGLEUASPLEUPROALAILEILEGLY
10   METMETLEUILECYSALAGLYVALLEUILE
11   ILEASNLEULEUSERARGSERTHRPROHIS

Entity 2, harmane - C11 H8 N2 - 168.195 Da.

1   NRH

Samples:

sample_1: S64V-EmrE, [U-100% 13C; U-100% 15N; U-80% 2H], 1 mM; harmane 1 mM; sodium chloride 20 mM; sodium azide 0.05 mM; sodium acetate 50 mM; DHPC 240 mM; DMPC 80 mM; D2O, [U-100% 2H], 10%; DSS 1%

sample_conditions_1: ionic strength: 0.02 M; pH: 5.5; pressure: 1 atm; temperature: 318 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOCAsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1

Software:

CcpNMR v2.4 - chemical shift assignment, spectrum analysis, spectrum display

NMRPipe vany - spectrum processing

NMR spectrometers:

  • Bruker AVANCE III 750 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks