BMRB Entry 50411

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PDB ID: 7jk8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50411
MolProbity Validation Chart

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Title:
EmrE S64V Mutant Bound to tetra(4-fluorophenyl)phosphonium at pH 5.8
Deposition date:
2020-07-27
Original release date:
2020-11-30
Authors:
Shcherbakov, Alexander; Hong, Mei
Citation:

Citation: Shcherbakov, Alexander; Hisao, Grant; Mandala, Venkata; Thomas, Nathan; Soltani, Mohammad; Salter, E.; Davis, James; Henzler-Wildman, Katherine; Hong, Mei. "Structure and Dynamics of the Drug-Bound Bacterial Transporter EmrE in Lipid Bilayers"  Nat. Commun. 12, 172-172 (2021).
PubMed: 33420032

Assembly members:

Assembly members:
entity_1, polymer, 110 residues, Formula weight is not available
tetrakis(4-fluorophenyl)phosphanium, non-polymer, 411.351 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 sets:
Data typeCount
13C chemical shifts459
15N chemical shifts135
1H chemical shifts133

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1EmrE S64V Mutant, A monomer1
2EmrE S64V Mutant, B monomer1
3F4TPP2

Entities:

Entity 1, EmrE S64V Mutant, A monomer 110 residues - Formula weight is not available

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

Entity 2, F4TPP - C24 H16 F4 P - 411.351 Da.

1   VCJ

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