BMRB Entry 34704
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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/BMR34704
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Title: Solution structure of the DNA-binding minor pilin FimT from Legionella pneumophila PubMed: 35246533
Deposition date: 2022-01-28 Original release date: 2022-02-25
Authors: Braus, S.; Hospenthal, M.; Gossert, A.
Citation: Braus, Sebastian; Short, Francesca; Holz, Stefanie; Stedman, Matthew; Gossert, Alvar; Hospenthal, Manuela. "The molecular basis of FimT-mediated DNA uptake during bacterial natural transformation" Nat. Commun. 13, 1065-1065 (2022).
Assembly members:
entity_1, polymer, 125 residues, 14379.359 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: IQNNERETLVNSIKTAIQYS
KIQAIHLGHPIYLLPFGSNE
NWSRGMVLAKLNQTTNKTEL
IHQWQWSSNSWNINWKGVDS
NHRIIISNIPNRAMSNGKFI
LNNKRTNEKVVVTLNRLGRV
RVGGN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 446 |
| 15N chemical shifts | 139 |
| 1H chemical shifts | 926 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 125 residues - 14379.359 Da.
| 1 | ILE | GLN | ASN | ASN | GLU | ARG | GLU | THR | LEU | VAL | ||||
| 2 | ASN | SER | ILE | LYS | THR | ALA | ILE | GLN | TYR | SER | ||||
| 3 | LYS | ILE | GLN | ALA | ILE | HIS | LEU | GLY | HIS | PRO | ||||
| 4 | ILE | TYR | LEU | LEU | PRO | PHE | GLY | SER | ASN | GLU | ||||
| 5 | ASN | TRP | SER | ARG | GLY | MET | VAL | LEU | ALA | LYS | ||||
| 6 | LEU | ASN | GLN | THR | THR | ASN | LYS | THR | GLU | LEU | ||||
| 7 | ILE | HIS | GLN | TRP | GLN | TRP | SER | SER | ASN | SER | ||||
| 8 | TRP | ASN | ILE | ASN | TRP | LYS | GLY | VAL | ASP | SER | ||||
| 9 | ASN | HIS | ARG | ILE | ILE | ILE | SER | ASN | ILE | PRO | ||||
| 10 | ASN | ARG | ALA | MET | SER | ASN | GLY | LYS | PHE | ILE | ||||
| 11 | LEU | ASN | ASN | LYS | ARG | THR | ASN | GLU | LYS | VAL | ||||
| 12 | VAL | VAL | THR | LEU | ASN | ARG | LEU | GLY | ARG | VAL | ||||
| 13 | ARG | VAL | GLY | GLY | ASN |
Samples:
sample_1: FimT, [U-13C; U-15N], 580 uM; NaPi 25 mM; sodium chloride 150 mM
sample_conditions_1: ionic strength: 150 mM; pH: 7.2; pressure: 1 Pa; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D NOESY combined | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA, Keller and Wuthrich - chemical shift assignment
CcpNmr Analysis v2.51, CCPN - peak picking
CYANA v3.98.2, Guntert, Mumenthaler and Wuthrich - structure calculation
Amber v20, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - geometry optimization
TopSpin v4.07, Bruker Biospin - collection
NMR spectrometers:
- Bruker AVANCE III HD 900 MHz
- Bruker AVANCE III HD 600 MHz
- Bruker AVANCE NEO 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts