BMRB Entry 19869
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19869
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Nogueira, Maria Luiza; Sforca, Mauricio; Zeri, Ana. "Zapa mutant dimer from B. stearothermophilus" To be Published ., .-..
Assembly members:
ZapA, polymer, 86 residues, 9902.521 Da.
Natural source: Common Name: Geobacillus stearothermophilus Taxonomy ID: 1422 Superkingdom: Bacteria Kingdom: not available Genus/species: bacillus stearothermophilus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET
Entity Sequences (FASTA):
ZapA: GSHMTEQPKTRVSVRIYGQD
YTIVGAESPAHIRLVAAFVD
DKMHEFSEKQPMLDVPKLAV
LTAVQIASEYLKLKEEYQRL
REQLKK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 266 |
| 15N chemical shifts | 74 |
| 1H chemical shifts | 555 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Chain A | 1 |
| 2 | Chain B | 1 |
Entities:
Entity 1, Chain A 86 residues - 9902.521 Da.
| 1 | GLY | SER | HIS | MET | THR | GLU | GLN | PRO | LYS | THR | ||||
| 2 | ARG | VAL | SER | VAL | ARG | ILE | TYR | GLY | GLN | ASP | ||||
| 3 | TYR | THR | ILE | VAL | GLY | ALA | GLU | SER | PRO | ALA | ||||
| 4 | HIS | ILE | ARG | LEU | VAL | ALA | ALA | PHE | VAL | ASP | ||||
| 5 | ASP | LYS | MET | HIS | GLU | PHE | SER | GLU | LYS | GLN | ||||
| 6 | PRO | MET | LEU | ASP | VAL | PRO | LYS | LEU | ALA | VAL | ||||
| 7 | LEU | THR | ALA | VAL | GLN | ILE | ALA | SER | GLU | TYR | ||||
| 8 | LEU | LYS | LEU | LYS | GLU | GLU | TYR | GLN | ARG | LEU | ||||
| 9 | ARG | GLU | GLN | LEU | LYS | LYS |
Samples:
sample_1: ZapA, [U-15N], 0.3 mM; sodium phosphate 50 mM; potassium chloride 50 mM
sample_2: ZapA, [U-13C; U-15N], 0.3 mM; sodium phosphate 50 mM; potassium chloride 50 mM
sample_3: ZapA, [U-13C; U-15N], 0.3 mM; ZapA 0.3 mM; sodium phosphate 50 mM; potassium chloride 50 mM
conditions_1: ionic strength: 100 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_2 | isotropic | conditions_1 |
| 2D 13C-15N CHSQC | sample_1 | isotropic | conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_2 | isotropic | conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | conditions_1 |
| 3D HNCO | sample_1 | isotropic | conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | conditions_1 |
| 3D HNCACB | sample_1 | isotropic | conditions_1 |
| 3D 13C-15N filtered NOESY C13 HSQC | sample_3 | isotropic | conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | conditions_1 |
| 2D 1H-15N HSQC | sample_3 | isotropic | conditions_1 |
| 3D 15N - NOESY-HSQC | sample_1 | isotropic | conditions_1 |
| 3D 15N - TOCSY -HSQC | sample_1 | isotropic | conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
SPARKY, Goddard - chemical shift assignment, geometry optimization, processing
NMR spectrometers:
- BRUKER AVANCE 900 MHz
- Agilent INOVA 600 MHz
Related Database Links:
| PDB |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks