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BMRB Entry 51024 BMRB - Biological Magnetic Resonance Bank
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 51024

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51024

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All files associated with the entry

Title: S64V-EmrE, drug free, pH 5.0   PubMed: 36496486

Deposition date: 2021-07-23 Original release date: 2022-06-08

Authors: Cornilescu, Claudia; Tonelli, Marco; Spreacker, Peyton; Henzler-Wildman, Katherine

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).

Assembly members:
entity_1, polymer, 110 residues, 11972.4008 Da.

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

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

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

Data typeCount
13C chemical shifts631
15N chemical shifts208
1H chemical shifts212

Additional metadata:

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

Assembly:

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

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

Samples:

sample_1: S64V-EmrE, [U-100% 13C; U-100% 15N; U-80% 2H], 0.75 mM; D2O, [U-100% 2H], 10%; sodium azide 0.05%; TCEP 2 mM; MES 100 mM; sodium chloride 20 mM; DSS 1%; DHPC 240 mM; DMPC 80 mM

sample_conditions_1: ionic strength: 0.02 M; pH: 6.5; pressure: 1 atm; temperature: 318.00 K

Experiments:

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

Software:

CcpNMR v3.0 - 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 shifts
SPARKY: Backbone or all simulated shifts