BMRB Entry 6227
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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/BMR6227
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Title: Native and non-native conformational preferences in the urea-unfolded state of barstar PubMed: 15537753
Deposition date: 2004-06-09 Original release date: 2004-12-15
Authors: Bhavesh, Neel; Juneja, Juhi; Udgaonkar, Jayant; Hosur, Ramakrishna
Citation: Bhavesh, Neel; Juneja, Juhi; Udgaonkar, Jayant; Hosur, Ramakrishna. "Native and non-native conformational preferences in the urea-unfolded state of barstar " Protein Sci. 13, 3085-3091 (2004).
Assembly members:
Barstar, polymer, 90 residues, Formula weight is not available
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
Entity Sequences (FASTA):
Barstar: MKKAVINGEQIRSISDLHQT
LKKELALPEYYGENLDALWD
CLTGWVEYPLVLEWRQFEQS
KQLTENGAESVLQVFREAKA
EGCDITIILS
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 87 |
| 13C chemical shifts | 261 |
| 15N chemical shifts | 87 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Barstar | 1 |
Entities:
Entity 1, Barstar 90 residues - Formula weight is not available
| 1 | MET | LYS | LYS | ALA | VAL | ILE | ASN | GLY | GLU | GLN | |
| 2 | ILE | ARG | SER | ILE | SER | ASP | LEU | HIS | GLN | THR | |
| 3 | LEU | LYS | LYS | GLU | LEU | ALA | LEU | PRO | GLU | TYR | |
| 4 | TYR | GLY | GLU | ASN | LEU | ASP | ALA | LEU | TRP | ASP | |
| 5 | CYS | LEU | THR | GLY | TRP | VAL | GLU | TYR | PRO | LEU | |
| 6 | VAL | LEU | GLU | TRP | ARG | GLN | PHE | GLU | GLN | SER | |
| 7 | LYS | GLN | LEU | THR | GLU | ASN | GLY | ALA | GLU | SER | |
| 8 | VAL | LEU | GLN | VAL | PHE | ARG | GLU | ALA | LYS | ALA | |
| 9 | GLU | GLY | CYS | ASP | ILE | THR | ILE | ILE | LEU | SER |
Samples:
sample_1: Barstar, [U-95% 13C; U-90% 15N], 1.1 mM
cond_1: pH: 6.5 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 |
| HNCO | not available | not available | not available |
| CBCANH | not available | not available | not available |
| CBCA(CO)NH | not available | not available | not available |
Software:
VNMR v6.1B - data acquisition
Felix v2002 - data processing, analysis
NMR spectrometers:
- Varian Unity-Plus 600 MHz
Related Database Links:
| BMRB | 5293 7126 |
| PDB | |
| EMBL | CAA33551 CBI41926 CCG48789 CCP20814 CDG25099 |
| GB | AAM10782 AAO92245 AAP41138 AAP41140 ABS73233 |
| REF | WP_007408543 WP_007610138 WP_013351425 WP_014720882 WP_015239422 |
| SP | P11540 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts