BMRB Entry 25296
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25296
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Title: Hha-H-NS46 charge zipper complex PubMed: 26085102
Deposition date: 2014-10-24 Original release date: 2015-07-27
Authors: Cordeiro, Tiago; Garcia, Jesus; Bernado, Pau; Millet, Oscar; Pons, Miquel
Citation: Cordeiro, Tiago; Garcia, Jesus; Bernado, Pau; Millet, Oscar; Pons, Miquel. "A Three-protein Charge Zipper Stabilizes a Complex Modulating Bacterial Gene Silencing." J. Biol. Chem. 290, 21200-21212 (2015).
Assembly members:
entity_1, polymer, 69 residues, 8068.402 Da.
entity_2, polymer, 46 residues, 5177.926 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: EKLTKTDYLMRLRRCQTIDT
LERVIEKNKYELSDNELAVF
YSAADHRLAELTMNKLYDKI
PSSVWKFIR
entity_2: SEALKILNNIRTLRAQAREC
TLETLEEMLEKLEVVVNERR
EEESAA
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 115 |
| 1H chemical shifts | 120 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2_1 | 2 |
| 3 | entity_2_2 | 2 |
Entities:
Entity 1, entity_1 69 residues - 8068.402 Da.
| 1 | GLU | LYS | LEU | THR | LYS | THR | ASP | TYR | LEU | MET | ||||
| 2 | ARG | LEU | ARG | ARG | CYS | GLN | THR | ILE | ASP | THR | ||||
| 3 | LEU | GLU | ARG | VAL | ILE | GLU | LYS | ASN | LYS | TYR | ||||
| 4 | GLU | LEU | SER | ASP | ASN | GLU | LEU | ALA | VAL | PHE | ||||
| 5 | TYR | SER | ALA | ALA | ASP | HIS | ARG | LEU | ALA | GLU | ||||
| 6 | LEU | THR | MET | ASN | LYS | LEU | TYR | ASP | LYS | ILE | ||||
| 7 | PRO | SER | SER | VAL | TRP | LYS | PHE | ILE | ARG |
Entity 2, entity_2_1 46 residues - 5177.926 Da.
| 1 | SER | GLU | ALA | LEU | LYS | ILE | LEU | ASN | ASN | ILE | ||||
| 2 | ARG | THR | LEU | ARG | ALA | GLN | ALA | ARG | GLU | CYS | ||||
| 3 | THR | LEU | GLU | THR | LEU | GLU | GLU | MET | LEU | GLU | ||||
| 4 | LYS | LEU | GLU | VAL | VAL | VAL | ASN | GLU | ARG | ARG | ||||
| 5 | GLU | GLU | GLU | SER | ALA | ALA |
Samples:
sample_3: entity_1, [U-100% 15N], 0.9 mM; sodium chloride 150 mM; sodium azide 0.01 w/v; sodium phosphate 20 mM; H2O 90%; D2O 10%
sample_4: entity_2, [U-100% 15N], 0.9 mM; sodium chloride 150 mM; sodium azide 0.01 w/v; sodium phosphate 20 mM; H2O 90%; D2O 10%
sample_1: entity_10.015 – 0.030 mM; entity_2, [U-100% 15N], 0.10 mM; HEPES 20 mM; sodium chloride 150 mM; sodium azide 0.01 w/v; H2O 90%; D2O 10%
sample_2: entity_10.015 – 0.030 mM; entity_2, [U-100% 15N], 0.10 mM; HEPES 20 mM; sodium chloride 150 mM; sodium azide 0.01 w/v; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.16 M; pH: 7.0; pressure: 1 atm; temperature: 295 K
sample_conditions_2: ionic strength: 0.20 M; pH: 7.0; pressure: 1 atm; temperature: 295 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_3 | isotropic | sample_conditions_2 |
| 3D 1H-15N NOESY | sample_3 | isotropic | sample_conditions_2 |
| 3D 1H-15N TOCSY | sample_3 | isotropic | sample_conditions_2 |
| 2D 1H-15N HSQC | sample_4 | isotropic | sample_conditions_2 |
| 3D 1H-15N NOESY | sample_4 | isotropic | sample_conditions_2 |
| 3D 1H-15N TOCSY | sample_4 | isotropic | sample_conditions_2 |
Software:
NMRPipe, Delaglio, Zhengrong and Bax - processing
NMRView, Johnson, One Moon Scientific - peak picking
CARA, Keller and Wuthrich - chemical shift assignment
CNS v2.0, Brunger, Adams, Clore, Gros, Nilges and Read - Calculation Engine
Haddock v2.1, Alexandre Bonvin - Data-driven docking using cns as structure calculation engine
TOPSPIN, Bruker Biospin - nmr spectra acquisition
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance III 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts