BMRB Entry 4868
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4868
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Citation: van Mierlo, Carlo; Darby, Nigel; Neuhaus, David; Creighton, Thomas. "Two-dimensional 1H nuclear magnetic resonance study of the (5-55)
single-disulphide folding intermediate of bovine pancreatic trypsin inhibitor" J. Mol. Biol. 222, 373-390 (1991).
Assembly members:
BPTI-R52, polymer, 58 residues, Formula weight is not available
Natural source: Common Name: cow Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pLcIICLM
Entity Sequences (FASTA):
BPTI-R52: RPDFCLEPPYTGPCKARIIR
YFYNAKAGLCQTFVYGGCRA
KRNNFKSAEDCRRTCGGA
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 393 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | BPTI-R52 | 1 |
Entities:
Entity 1, BPTI-R52 58 residues - Formula weight is not available
| 1 | ARG | PRO | ASP | PHE | CYS | LEU | GLU | PRO | PRO | TYR | ||||
| 2 | THR | GLY | PRO | CYS | LYS | ALA | ARG | ILE | ILE | ARG | ||||
| 3 | TYR | PHE | TYR | ASN | ALA | LYS | ALA | GLY | LEU | CYS | ||||
| 4 | GLN | THR | PHE | VAL | TYR | GLY | GLY | CYS | ARG | ALA | ||||
| 5 | LYS | ARG | ASN | ASN | PHE | LYS | SER | ALA | GLU | ASP | ||||
| 6 | CYS | ARG | ARG | THR | CYS | GLY | GLY | ALA |
Samples:
sample_1: BPTI-R522 – 3 mM; H2O 90%; D2O 10%
sample_2: BPTI-R522 – 3 mM; D2O 100%
Ex-cond_1: pH: 4.6; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| DQ = Double Quantum Coherence experiment | not available | not available | Ex-cond_1 |
Software:
UXNMR - data acquisition, data processing
NMR spectrometers:
- Bruker AM 500 MHz
- Bruker AMX 500 MHz