BMRB Entry 17111
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17111
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Dong, Xu; Williams, Christopher; Wattana-amorn, Pakorn; Crump, Matthew. "Structural studies on Mupirocin didomain Acyl Carrier Protein" .
Assembly members:
Mupirocin_didomain_ACP, polymer, 212 residues, Formula weight is not available
Natural source: Common Name: g-proteobacteria Taxonomy ID: 294 Superkingdom: bacteria Kingdom: not available Genus/species: Pseudomonas fluorescens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 660 |
| 15N chemical shifts | 180 |
| 1H chemical shifts | 1221 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Mupirocin_didomain_ACP | 1 |
Entities:
Entity 1, Mupirocin_didomain_ACP 212 residues - Formula weight is not available
| 1 | MET | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | SER | SER | GLY | LEU | VAL | PRO | ARG | GLY | SER | HIS | ||||
| 3 | MET | VAL | ALA | ASP | ASP | GLU | CYS | ALA | GLN | PHE | ||||
| 4 | LEU | ARG | GLN | SER | LEU | ALA | ALA | MET | LEU | TYR | ||||
| 5 | CYS | GLU | PRO | GLY | GLN | ILE | ARG | ASP | GLY | SER | ||||
| 6 | ARG | PHE | LEU | GLU | LEU | GLY | LEU | ASP | SER | VAL | ||||
| 7 | ILE | ALA | ALA | GLN | TRP | ILE | ARG | GLU | ILE | ASN | ||||
| 8 | LYS | HIS | TYR | GLN | LEU | LYS | ILE | PRO | ALA | ASP | ||||
| 9 | GLY | ILE | TYR | THR | TYR | PRO | VAL | PHE | LYS | ALA | ||||
| 10 | PHE | THR | GLN | TRP | VAL | GLY | THR | GLN | LEU | GLN | ||||
| 11 | PRO | THR | GLN | ALA | THR | ALA | ALA | PRO | VAL | GLN | ||||
| 12 | ARG | GLU | PRO | VAL | ALA | THR | ALA | PRO | GLN | PRO | ||||
| 13 | GLY | ALA | GLN | ALA | SER | ALA | GLN | ARG | GLU | SER | ||||
| 14 | ILE | GLN | ASP | TYR | LEU | LYS | GLN | SER | LEU | GLY | ||||
| 15 | GLU | LEU | LEU | PHE | LEU | ASP | PRO | GLY | GLN | LEU | ||||
| 16 | ARG | SER | GLY | ALA | GLN | PHE | LEU | ASP | LEU | GLY | ||||
| 17 | MET | ASP | SER | VAL | THR | GLY | THR | GLN | TRP | MET | ||||
| 18 | ARG | GLY | VAL | SER | ARG | HIS | PHE | SER | ILE | GLN | ||||
| 19 | LEU | ALA | ALA | ASP | ALA | ILE | TYR | THR | TRP | PRO | ||||
| 20 | THR | LEU | LYS | SER | LEU | ALA | ASP | GLU | VAL | ASP | ||||
| 21 | ARG | ARG | VAL | GLN | LEU | GLU | HIS | HIS | HIS | HIS | ||||
| 22 | HIS | HIS |
Samples:
sample_1: sodium phosphate 20 mM; DTT 5 mM; H2O 95%; H2O 5%; Mupirocin_didomain_ACP 800 uM
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA v2.2, Linge, O'Donoghue and Nilges - structure solution
NMR spectrometers:
- Varian VNMRS 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks