BMRB Entry 30995

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30995
MolProbity Validation Chart

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Title:
Solution NMR structure of Vibrio cholerae ferrous iron transport protein C (FeoC)
Deposition date:
2022-02-25
Original release date:
2022-07-05
Authors:
Brown, J.; Lee, M.; Smith, A.
Citation:

Citation: Brown, J.; Lee, M.; Smith, A.. "The structure of Vibrio cholerae FeoC reveals conservation of the helix-turn-helix motif but not the cluster-binding domain"  J. Biol. Inorg. Chem. 27, 485-495 (2022).
PubMed: 35796835

Assembly members:

Assembly members:
entity_1, polymer, 77 residues, 8590.936 Da.

Natural source:

Natural source:   Common Name: Vibrio cholerae O1   Taxonomy ID: 127906   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Vibrio cholerae

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GMILNELKAAIESKNGATRQ ELARRFALSEDGIDAMLAVW IKKGVLSRQQYINAEDEVVR VRYVMNQVGSLAVNVTM

Data sets:
Data typeCount
13C chemical shifts302
15N chemical shifts84
1H chemical shifts407

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 77 residues - 8590.936 Da.

1   GLYMETILELEUASNGLULEULYSALAALA
2   ILEGLUSERLYSASNGLYALATHRARGGLN
3   GLULEUALAARGARGPHEALALEUSERGLU
4   ASPGLYILEASPALAMETLEUALAVALTRP
5   ILELYSLYSGLYVALLEUSERARGGLNGLN
6   TYRILEASNALAGLUASPGLUVALVALARG
7   VALARGTYRVALMETASNGLNVALGLYSER
8   LEUALAVALASNVALTHRMET

Samples:

sample_1: sodium phosphate 50 mM; sodium chloride 5 mM; ammonium chloride, [U-99% 15N], 1 g/L; Vibrio cholerae FeoC, [U-15N], 300 uM

sample_2: sodium phosphate 50 mM; sodium chloride 5 mM; ammonium chloride, [U-15N], 1 g/L; Vibrio cholerae FeoC, [U-13C; U-15N], 300 uM; glucose, [U-100% 13C], 4 g/L

sample_3: sodium phosphate 50 mM; sodium chloride 5 mM; Vibrio cholerae FeoC, [U-13C; U-15N], 300 uM; glucose, [U-100% 13C], 4 g/L

sample_4: sodium phosphate 50 mM; sodium chloride 5 mM; Vibrio cholerae FeoC, [U-13C; U-15N], 300 uM

sample_conditions_1: ionic strength: 5 mM; pH: 6; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 5 mM; pH: 6 pD; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HN(CA)COsample_2isotropicsample_conditions_1
4D HSQC-NOESY-HMQCsample_2isotropicsample_conditions_1
4D HMQC-NOESY-HMQCsample_3isotropicsample_conditions_2
2D 1H-1H NOESYsample_4isotropicsample_conditions_2

Software:

TopSpin, Bruker Biospin - collection

NMRFx, Johnson, One Moon Scientific - processing

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

NMR spectrometers:

  • Bruker DMX 600 MHz

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