BMRB Entry 26010
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR26010
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Title: NMR structure of the Mycobacterium tuberculosis LppM (Rv2171) protein folded domain. PubMed: 27568926
Deposition date: 2016-03-22 Original release date: 2016-09-08
Authors: Barthe, Philippe; Cohen-Gonsaud, Martin
Citation: Barthe, Philippe; Veyron-Churlet, Romain; de Vish, Angelique; Gilleron, Martine; Saliou, Jean-Michel; Nigou, Jerome; Brodin, Priscille; Cohen-Gonsaud, Martin. "Mycobacterium tuberculosis LppM Displays an Original Structure and Domain Composition Linked to a Dual Localization" Structure 24, 1788-1794 (2016).
Assembly members:
entity, polymer, 171 residues, 18229.328 Da.
Natural source: Common Name: Mycobacterium tuberculosis Taxonomy ID: 1773 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium tuberculosis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: GRENLYFQGHMLRVRASITI
SPDDLVSGEIIAAAKPKNSK
DTGPALDGDVPFSQKVAVSN
YDSDGYVGSQAVFSDLTFAE
LPQLANMNSDAAGVNLSLRR
NGNIVILEGRADLTSVSDPD
ADVELTVAFPAAVTSTNGDR
IEPEVVQWKLKPGVVSTMSA
QARYTDPNTRS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 461 |
| 15N chemical shifts | 169 |
| 1H chemical shifts | 1052 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 171 residues - 18229.328 Da.
| 1 | GLY | ARG | GLU | ASN | LEU | TYR | PHE | GLN | GLY | HIS | ||||
| 2 | MET | LEU | ARG | VAL | ARG | ALA | SER | ILE | THR | ILE | ||||
| 3 | SER | PRO | ASP | ASP | LEU | VAL | SER | GLY | GLU | ILE | ||||
| 4 | ILE | ALA | ALA | ALA | LYS | PRO | LYS | ASN | SER | LYS | ||||
| 5 | ASP | THR | GLY | PRO | ALA | LEU | ASP | GLY | ASP | VAL | ||||
| 6 | PRO | PHE | SER | GLN | LYS | VAL | ALA | VAL | SER | ASN | ||||
| 7 | TYR | ASP | SER | ASP | GLY | TYR | VAL | GLY | SER | GLN | ||||
| 8 | ALA | VAL | PHE | SER | ASP | LEU | THR | PHE | ALA | GLU | ||||
| 9 | LEU | PRO | GLN | LEU | ALA | ASN | MET | ASN | SER | ASP | ||||
| 10 | ALA | ALA | GLY | VAL | ASN | LEU | SER | LEU | ARG | ARG | ||||
| 11 | ASN | GLY | ASN | ILE | VAL | ILE | LEU | GLU | GLY | ARG | ||||
| 12 | ALA | ASP | LEU | THR | SER | VAL | SER | ASP | PRO | ASP | ||||
| 13 | ALA | ASP | VAL | GLU | LEU | THR | VAL | ALA | PHE | PRO | ||||
| 14 | ALA | ALA | VAL | THR | SER | THR | ASN | GLY | ASP | ARG | ||||
| 15 | ILE | GLU | PRO | GLU | VAL | VAL | GLN | TRP | LYS | LEU | ||||
| 16 | LYS | PRO | GLY | VAL | VAL | SER | THR | MET | SER | ALA | ||||
| 17 | GLN | ALA | ARG | TYR | THR | ASP | PRO | ASN | THR | ARG | ||||
| 18 | SER |
Samples:
sample_1: entity, [U-100% 15N], 0.9 ± 0.0045 mM; sodium phosphate 25 ± 0.125 mM; sodium chloride 150 ± 0.75 mM
sample_2: entity, [U-100% 13C; U-100% 15N], 0.9 ± 0.0045 mM; sodium phosphate 25 ± 0.125 mM; sodium chloride 150 ± 0.75 mM
sample_conditions_1: ionic strength: 150 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACO | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.2, Bruker Biospin - collection
GIFA v4.44, Delsuc - processing
CINDY v1.9, Padilla - data analysis
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Bruker Avance 700 MHz
- Bruker Avance 500 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts