BMRB Entry 5293
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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/BMR5293
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: Juneja, Juhi; Bhavesh, Neel; Udgaonkar, Jayant; Hosur, Ramakrishna. "NMR Identification and Characterization of the Flexible Regions in the 160 kDa
Molten Globule-like Aggregate of Barstar at low pH" Biochemistry 41, 9885-9899 (2002).
PubMed: 12146954
Assembly members:
Barstar, polymer, 89 residues, 10100 Da.
Natural source: Common Name: Bacillus amyloliquefaciens Taxonomy ID: 1390 Superkingdom: Eubacteria Kingdom: not available Genus/species: Bacillus amyloliquefaciens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pMT316
Entity Sequences (FASTA):
Barstar: KKAVINGEQIRSISDLHQTL
KKELALPEYYGENLDALWDC
LTGWVEYPLVLEWRQFEQSK
QLTENGAESVLQVFREAKAE
GCDITIILS
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 131 |
| 13C chemical shifts | 47 |
| 15N chemical shifts | 21 |
| coupling constants | 17 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | barstar aggegate 1 | 1 |
| 2 | barstar aggegate 2 | 1 |
| 3 | barstar aggegate 3 | 1 |
| 4 | barstar aggegate 4 | 1 |
| 5 | barstar aggegate 5 | 1 |
| 6 | barstar aggegate 6 | 1 |
| 7 | barstar aggegate 7 | 1 |
| 8 | barstar aggegate 8 | 1 |
| 9 | barstar aggegate 9 | 1 |
| 10 | barstar aggegate 10 | 1 |
| 11 | barstar aggegate 11 | 1 |
| 12 | barstar aggegate 12 | 1 |
| 13 | barstar aggegate 13 | 1 |
| 14 | barstar aggegate 14 | 1 |
| 15 | barstar aggegate 15 | 1 |
| 16 | barstar aggegate 16 | 1 |
Entities:
Entity 1, barstar aggegate 1 89 residues - 10100 Da.
| 1 | LYS | LYS | ALA | VAL | ILE | ASN | GLY | GLU | GLN | ILE | ||||
| 2 | ARG | SER | ILE | SER | ASP | LEU | HIS | GLN | THR | LEU | ||||
| 3 | LYS | LYS | GLU | LEU | ALA | LEU | PRO | GLU | TYR | TYR | ||||
| 4 | GLY | GLU | ASN | LEU | ASP | ALA | LEU | TRP | ASP | CYS | ||||
| 5 | LEU | THR | GLY | TRP | VAL | GLU | TYR | PRO | LEU | VAL | ||||
| 6 | LEU | GLU | TRP | ARG | GLN | PHE | GLU | GLN | SER | LYS | ||||
| 7 | GLN | LEU | THR | GLU | ASN | GLY | ALA | GLU | SER | VAL | ||||
| 8 | LEU | GLN | VAL | PHE | ARG | GLU | ALA | LYS | ALA | GLU | ||||
| 9 | GLY | CYS | ASP | ILE | THR | ILE | ILE | LEU | SER |
Samples:
sample_1: Barstar, [U-90% 15N], 1.2 mM
sample_2: Barstar, [U-95% 13C; U-90% 15N], 1.2 mM
sample_3: Barstar 1.2 mM
Cond_1: pH: 2.7 na; temperature: 298 K; pressure: 760 mmHg
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-15N HSQC | not available | not available | not available |
| HNN | not available | not available | not available |
| HN(C)N | not available | not available | not available |
| 1H-15N NOESY-HSQC | not available | not available | not available |
| 1H-15N HSQC-TOCSY | not available | not available | not available |
| 1H-15N TOCSY-HSQC | not available | not available | not available |
| HNCA | not available | not available | not available |
| HN(CO)CA | not available | not available | not available |
| HNCO | not available | not available | not available |
| CBCANH | not available | not available | not available |
| CBCA(CO)NH | not available | not available | not available |
| HNHA | not available | not available | not available |
| 1H-1H TOCSY | not available | not available | not available |
| 1H-1H NOESY | not available | not available | not available |
Software:
Felix v97 - data processing, resonance assignment
NMR spectrometers:
- Varian Unityplus 600 MHz
Related Database Links:
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks