BMRB Entry 27453

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27453
MolProbity Validation Chart

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Title:
NMR resonance assignments for an Legionella pneumophila ProQ-homolog
Deposition date:
2018-04-16
Original release date:
2018-09-18
Authors:
Immer, Carina; Hacker, Carolin; Woehnert, Jens
Citation:

Citation: Immer, Carina; Hacker, Carolin; Woehnert, Jens. "NMR resonance assignments for a ProQ homolog from Legionella pneumophila"  Biomol. NMR Assignments 12, 319-322 (2018).
PubMed: 29934867

Assembly members:

Assembly members:
Lpp1663, polymer, 122 residues, 14151 Da.

Natural source:

Natural source:   Common Name: Legionella pneumophila   Taxonomy ID: 446   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Legionella pneumophila

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Lpp1663: GSNQQLNATKKDKLQVIDWL IENFPNAFFKKGNQVKPLKI GIFDDLIDFYERLDTPPFSK KSLREALSYYSASPAYLSCQ KPDTARVDIYGNEVDVVTPE QAKYAYQRYQERYGNKKSQD LK

Data sets:
Data typeCount
13C chemical shifts530
15N chemical shifts121
1H chemical shifts820

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Lpp16631

Entities:

Entity 1, Lpp1663 122 residues - 14151 Da.

1   GLYSERASNGLNGLNLEUASNALATHRLYS
2   LYSASPLYSLEUGLNVALILEASPTRPLEU
3   ILEGLUASNPHEPROASNALAPHEPHELYS
4   LYSGLYASNGLNVALLYSPROLEULYSILE
5   GLYILEPHEASPASPLEUILEASPPHETYR
6   GLUARGLEUASPTHRPROPROPHESERLYS
7   LYSSERLEUARGGLUALALEUSERTYRTYR
8   SERALASERPROALATYRLEUSERCYSGLN
9   LYSPROASPTHRALAARGVALASPILETYR
10   GLYASNGLUVALASPVALVALTHRPROGLU
11   GLNALALYSTYRALATYRGLNARGTYRGLN
12   GLUARGTYRGLYASNLYSLYSSERGLNASP
13   LEULYS

Samples:

15N: Lpp1663, [U-15N], 400 uM; sodium phosphate 50 mM; sodium chloride 100 mM; D2O 10%; DSS 50 uM; beta-mercaptoethanol 2 mM

13C15N: Lpp1663, [U-13C; U-15N], 400 uM; sodium phosphate 50 mM; sodium chloride 100 mM; D2O 10%; DSS 50 uM; beta-mercaptoethanol 2 mM

15N_Lys: Lpp1663, [U-15N]-Lys, 400 uM; sodium phosphate 50 mM; sodium chloride 100 mM; D2O 10%; DSS 50 uM; beta-mercaptoethanol 2 mM

15N_Tyr: Lpp1663, [U-15N]-Tyr, 400 uM; sodium phosphate 50 mM; sodium chloride 100 mM; D2O 10%; DSS 50 uM; beta-mercaptoethanol 2 mM

15N_Phe_13C_Pro: Lpp1663, [U-15N]-Phe [U-13C]-Pro, 400 uM; sodium phosphate 50 mM; sodium chloride 100 mM; D2O 10%; DSS 50 uM; beta-mercaptoethanol 2 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC15Nisotropicsample_conditions_1
2D 1H-13C HSQC aromatic13C15Nisotropicsample_conditions_1
3D HNCO13C15Nisotropicsample_conditions_1
3D HCACO13C15Nisotropicsample_conditions_1
3D HNCACB13C15Nisotropicsample_conditions_1
3D HBHA(CO)NH13C15Nisotropicsample_conditions_1
3D HCCH-TOCSY13C15Nisotropicsample_conditions_1
3D H(CCO)NH13C15Nisotropicsample_conditions_1
3D C(CO)NH13C15Nisotropicsample_conditions_1
3D 1H-15N NOESY15Nisotropicsample_conditions_1
3D 1H-13C NOESY aliphatic13C15Nisotropicsample_conditions_1
3D 1H-13C NOESY aromatic13C15Nisotropicsample_conditions_1
2D 1H-13C HSQC aliphatic13C15Nisotropicsample_conditions_1
2D 1H-15N HSQC15N_Lysisotropicsample_conditions_1
2D 1H-15N HSQC15N_Tyrisotropicsample_conditions_1
2D 1H-15N HSQC15N_Phe_13C_Proisotropicsample_conditions_1
2D 1H-13C HSQC15N_Phe_13C_Proisotropicsample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - processing

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 700 MHz
  • Bruker Avance 800 MHz

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