BMRB Entry 5381
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5381
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Title: Structure of BPTI_A16V mutant PubMed: 12206780
Deposition date: 2002-06-02 Original release date: 2003-01-06
Authors: Cierpicki, T.; Otlewski, J.
Citation: Cierpicki, T.; Otlewski, J.. "NMR Structures of Two Variants of Bovine Pancreatic Trypsin Inhibitor (BPTI) reveal Unexpected Influence of Mutations on Protein Structure and Stability" J. Mol. Biol. 321, 647-658 (2002).
Assembly members:
pancreatic trypsin inhibitor, 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
Entity Sequences (FASTA):
pancreatic trypsin inhibitor: RPDFCLEPPYTGPCRVRIIR
YFYNAKAGLCQTFVYGGCRA
KRNNFKSAEDCLRTCGGA
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 404 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | pancreatic trypsin inhibitor | 1 |
Entities:
Entity 1, pancreatic trypsin inhibitor 58 residues - Formula weight is not available
| 1 | ARG | PRO | ASP | PHE | CYS | LEU | GLU | PRO | PRO | TYR | ||||
| 2 | THR | GLY | PRO | CYS | ARG | VAL | 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 | LEU | ARG | THR | CYS | GLY | GLY | ALA |
Samples:
sample_1: pancreatic trypsin inhibitor 4 mM; H2O 90%; D2O 10%
sample_cond_1: ionic strength: 0 M; pH: 3.1; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | not available | not available | not available |
| 2D NOESY | not available | not available | not available |
| DQF-COSY | not available | not available | not available |
Software:
NMRPipe v1.8 - processing
SPARKY v3.95 - data analysis
DYANA v1.5 - structure solution
CNS v1.0 - refinement
NMR spectrometers:
- Bruker DRX 500 MHz
Related Database Links:
| PDB |