BMRB Entry 19533
Click here to enlarge.
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/BMR19533
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution Structure of NusE (S10) from Thermotoga maritima
Deposition date: 2013-10-01 Original release date: 2013-11-04
Authors: Droegemueller, Johanna; Schweimer, Kristian; Roesch, Paul
Citation: Droegemueller, Johanna; Schweimer, Kristian; Roesch, Paul. "Solution Structure of NusE from Thermotoga maritima" Not known ., .-..
Assembly members:
entity, polymer, 82 residues, 9043.727 Da.
Natural source: Common Name: Thermotoga maritima Taxonomy ID: 2336 Superkingdom: Bacteria Kingdom: not available Genus/species: Thermotoga maritima
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: SMGGQKIRIKLKAYDHELLD
ESAKKIVEVAKSTNSKVSGP
IPLPTESRVHKRLIDIIDPS
PKTIDALMRINLPAGVDVEI
KL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 316 |
| 15N chemical shifts | 68 |
| 1H chemical shifts | 516 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | NusE (S10) from Thermotoga maritima | 1 |
Entities:
Entity 1, NusE (S10) from Thermotoga maritima 82 residues - 9043.727 Da.
construct used for structure determination: Ser1-Met2:Glu46-Ser47-Arg88_Leu88 Ser1 (cloning artefact from protease cleveage site) Met2:Glu46 (corresponds to Met1:Glu45 of wild type sequence Ser47 (replacement of ribosomal binding loop) Arg48:Leu82 (corresponds to Arg68:Leu102 of wild type sequence)
| 1 | SER | MET | GLY | GLY | GLN | LYS | ILE | ARG | ILE | LYS | ||||
| 2 | LEU | LYS | ALA | TYR | ASP | HIS | GLU | LEU | LEU | ASP | ||||
| 3 | GLU | SER | ALA | LYS | LYS | ILE | VAL | GLU | VAL | ALA | ||||
| 4 | LYS | SER | THR | ASN | SER | LYS | VAL | SER | GLY | PRO | ||||
| 5 | ILE | PRO | LEU | PRO | THR | GLU | SER | ARG | VAL | HIS | ||||
| 6 | LYS | ARG | LEU | ILE | ASP | ILE | ILE | ASP | PRO | SER | ||||
| 7 | PRO | LYS | THR | ILE | ASP | ALA | LEU | MET | ARG | ILE | ||||
| 8 | ASN | LEU | PRO | ALA | GLY | VAL | ASP | VAL | GLU | ILE | ||||
| 9 | LYS | LEU |
Samples:
sample_1: entity, [U-99% 13C; U-99% 15N], 0.9 mM; HEPES 25 mM; sodium chloride 50 mM
sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 323 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | 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 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Related Database Links:
| PDB |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts