BMRB Entry 2169
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR2169
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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:
(5-55)Ser BPTI folding intermediate, 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):
(5-55)Ser BPTI folding intermediate: RPDFCLEPPYTGPSKARIIR
YFYNAKAGLSQTFVYGGSRA
KRNNFKSAEDSRRTCGGA
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 401 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | (5-55) BPTI | 1 |
Entities:
Entity 1, (5-55) BPTI 58 residues - Formula weight is not available
| 1 | ARG | PRO | ASP | PHE | CYS | LEU | GLU | PRO | PRO | TYR | ||||
| 2 | THR | GLY | PRO | SER | LYS | ALA | ARG | ILE | ILE | ARG | ||||
| 3 | TYR | PHE | TYR | ASN | ALA | LYS | ALA | GLY | LEU | SER | ||||
| 4 | GLN | THR | PHE | VAL | TYR | GLY | GLY | SER | ARG | ALA | ||||
| 5 | LYS | ARG | ASN | ASN | PHE | LYS | SER | ALA | GLU | ASP | ||||
| 6 | SER | ARG | ARG | THR | CYS | GLY | GLY | ALA |
Samples:
sample_1: (5-55)Ser BPTI folding intermediate2 – 3 mM; H2O 90%; D2O 10%
sample_2: (5-55)Ser BPTI folding intermediate2 – 3 mM; D2O 100%
Ex-cond_1: pH: 4.6; temperature: 276 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| DQF-COSY | not available | not available | not available |
| NOESY | not available | not available | not available |
| ROESY | not available | not available | not available |
| TOCSY | not available | not available | not available |
| 1D Saturation transfer experiment | not available | not available | not available |
Software:
UXNMR v901001 - data acquisition, data processing
NMR spectrometers:
- Bruker AMX 500 MHz