BMRB Entry 4855
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4855
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Title: (14-38, 30-51) Double-disulphide intermediate in folding of Bovine Pancreatic Trypsin Inhibitor: A two-dimensional 1H nuclear magnetic resonance study
Deposition date: 2000-10-13 Original release date: 2002-08-12
Authors: van Mierlo, Carlo; Darby, Nigel; Neuhaus, David; Creighton, Thomas
Citation: van Mierlo, Carlo; Darby, Nigel; Neuhaus, David; Creighton, Thomas. "(14-38, 30-51) Double-disulphide intermediate in folding of Bovine Pancreatic Trypsin Inhibitor: A two-dimensional 1H nuclear magnetic resonance study" J. Mol. Biol. 222, 353-371 (1991).
Assembly members:
(14-38, 30-51)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
Entity Sequences (FASTA):
(14-38, 30-51)Ser BPTI folding intermediate: RPDFSLEPPYTGPCKARIIR
YFYNAKAGLCQTFVYGGCRA
KRNNFKSAEDCRRTSGGA
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 401 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | (14-38, 30-51)Ser BPTI | 1 |
Entities:
Entity 1, (14-38, 30-51)Ser BPTI 58 residues - Formula weight is not available
| 1 | ARG | PRO | ASP | PHE | SER | 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 | SER | GLY | GLY | ALA |
Samples:
sample_1: (14-38, 30-51)Ser BPTI folding intermediate2 – 3 mM; H2O 90%; D2O 10%
sample_2: (14-38, 30-51)Ser BPTI folding intermediate2 – 3 mM; D2O 100%
Ex-cond_1: pH: 4.6; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| DQF-COSY | not available | not available | not available |
| Double Quantum Coherence | 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 |
Software:
UXNMR - data acquisition, data processing
NMR spectrometers:
- Bruker AM 500 MHz
- Bruker AMX 500 MHz