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
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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: Portlock, T.; Garnett, J.. "Solution structure of Legionella pneumophila LspD N0" .
Assembly members:
entity_1, polymer, 111 residues, 12295.090 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: MAHHHHHHVDDDDKMGSKLW
NLRNADIRAVIAEVSRITGK
NFVIDPRVQGKVSIVSSTPL
SSRELYQVFLSVLQVSGYAA
IPNGEIIKIIPNIDAKTQSP
DLLSGMKSPPR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 415 |
| 15N chemical shifts | 97 |
| 1H chemical shifts | 694 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 111 residues - 12295.090 Da.
| 1 | MET | ALA | HIS | HIS | HIS | HIS | HIS | HIS | VAL | ASP | ||||
| 2 | ASP | ASP | ASP | LYS | MET | GLY | SER | LYS | LEU | TRP | ||||
| 3 | ASN | LEU | ARG | ASN | ALA | ASP | ILE | ARG | ALA | VAL | ||||
| 4 | ILE | ALA | GLU | VAL | SER | ARG | ILE | THR | GLY | LYS | ||||
| 5 | ASN | PHE | VAL | ILE | ASP | PRO | ARG | VAL | GLN | GLY | ||||
| 6 | LYS | VAL | SER | ILE | VAL | SER | SER | THR | PRO | LEU | ||||
| 7 | SER | SER | ARG | GLU | LEU | TYR | GLN | VAL | PHE | LEU | ||||
| 8 | SER | VAL | LEU | GLN | VAL | SER | GLY | TYR | ALA | ALA | ||||
| 9 | ILE | PRO | ASN | GLY | GLU | ILE | ILE | LYS | ILE | ILE | ||||
| 10 | PRO | ASN | ILE | ASP | ALA | LYS | THR | GLN | SER | PRO | ||||
| 11 | ASP | LEU | LEU | SER | GLY | MET | LYS | SER | PRO | PRO | ||||
| 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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_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 shifts
SPARKY: Backbone
or all simulated shifts