BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 34480

Title: Solution structure of Legionella pneumophila NttA   PubMed: 32656228

Deposition date: 2020-01-16 Original release date: 2020-07-20

Authors: Portlock, T.; Garnett, J.

Citation: Portlock, Theo; Tyson, Jessica; Dantu, Sarath; Rehman, Saima; White, Richard; McIntire, Ian; Sewell, Lee; Richardson, Katherine; Shaw, Rosie; Pandini, Alessandro; Cianciotto, Nicholas; Garnett, James. "Structure, Dynamics and Cellular Insight Into Novel Substrates of the Legionella pneumophila Type II Secretion System"  Front. Mol. Biosci. 7, 112-112 (2020).

Assembly members:
entity_1, polymer, 116 residues, 13333.118 Da.

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

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):
entity_1: MAHHHHHHVDDDDKMEDTAN PNEMTKDAWLNSMTPLLPDL ICKGFIQDPDLKKRFDEIKM TYEQCVTLIPESTKKCQDEL YASMPDKINSETAGTWGRSL GECIGKDFAEKHLIPK

Data sets:
Data typeCount
13C chemical shifts485
15N chemical shifts103
1H chemical shifts754

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 116 residues - 13333.118 Da.

1   METALAHISHISHISHISHISHISVALASP
2   ASPASPASPLYSMETGLUASPTHRALAASN
3   PROASNGLUMETTHRLYSASPALATRPLEU
4   ASNSERMETTHRPROLEULEUPROASPLEU
5   ILECYSLYSGLYPHEILEGLNASPPROASP
6   LEULYSLYSARGPHEASPGLUILELYSMET
7   THRTYRGLUGLNCYSVALTHRLEUILEPRO
8   GLUSERTHRLYSLYSCYSGLNASPGLULEU
9   TYRALASERMETPROASPLYSILEASNSER
10   GLUTHRALAGLYTHRTRPGLYARGSERLEU
11   GLYGLUCYSILEGLYLYSASPPHEALAGLU
12   LYSHISLEUILEPROLYS

Samples:

sample_1: NttA, [U-99% 13C; U-99% 15N], 0.4 mM; sodium phosphate 50 mM; sodium chloride 50 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

ARIA, Linge, O'Donoghue and Nilges - structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE III 700 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts