BMRB Entry 34663

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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/BMR34663
MolProbity Validation Chart

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Title:
Solution structure of Legionella pneumophila LspD
Deposition date:
2021-09-02
Original release date:
2022-09-08
Authors:
Portlock, T.; Garnett, J.
Citation:

Citation: Portlock, T.; Garnett, J.. "Solution structure of Legionella pneumophila LspD N0"  .

Assembly members:

Assembly members:
entity_1, polymer, 111 residues, 12295.090 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 BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MAHHHHHHVDDDDKMGSKLW NLRNADIRAVIAEVSRITGK NFVIDPRVQGKVSIVSSTPL SSRELYQVFLSVLQVSGYAA IPNGEIIKIIPNIDAKTQSP DLLSGMKSPPR

Data sets:
Data typeCount
13C chemical shifts415
15N chemical shifts97
1H chemical shifts694

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 111 residues - 12295.090 Da.

1   METALAHISHISHISHISHISHISVALASP
2   ASPASPASPLYSMETGLYSERLYSLEUTRP
3   ASNLEUARGASNALAASPILEARGALAVAL
4   ILEALAGLUVALSERARGILETHRGLYLYS
5   ASNPHEVALILEASPPROARGVALGLNGLY
6   LYSVALSERILEVALSERSERTHRPROLEU
7   SERSERARGGLULEUTYRGLNVALPHELEU
8   SERVALLEUGLNVALSERGLYTYRALAALA
9   ILEPROASNGLYGLUILEILELYSILEILE
10   PROASNILEASPALALYSTHRGLNSERPRO
11   ASPLEULEUSERGLYMETLYSSERPROPRO
12   ARG

Samples:

sample_1: LspD N0, [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 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - 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 HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks