BMRB Entry 4156
            Chem Shift validation:  AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4156
            
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Title: The Structure in Solution of the b Domain of Protein Disulfide Isomerase
Deposition date: 1998-07-02 Original release date: 1999-08-06
Authors: Kemmink, J.; Dijkstra, K.; Mariani, M.; Scheek, R.; Penka, E.; Nilges, M.; Darby, N.
Citation: Kemmink, J.; Dijkstra, K.; Mariani, M.; Scheek, R.; Penka, E.; Nilges, M.; Darby, N.. "The Structure in Solution of the b Domain of Protein Disulfide Isomerase" J. Biomol. NMR 13, 357-368 (1999).
Assembly members:
Protein Disulfide Isomerase, polymer, 110 residues,   12062 Da.
Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Protein Disulfide Isomerase: AATTLPDGAAAESLVESSEV
AVIGFFKDVESDSAKQFLQA
AEAIDDIPFGITSNSDVFSK
YQLDKDGVVLFKKFDEGRNN
FEGEVTKENLLDFIKHNQLP
LVIEFTEQTA
- assigned_chemical_shifts
 
| Data type | Count | 
| 13C chemical shifts | 469 | 
| 15N chemical shifts | 116 | 
| 1H chemical shifts | 765 | 
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID | 
|---|---|---|
| 1 | PDI | 1 | 
Entities:
Entity 1, PDI 110 residues - 12062 Da.
| 1 | ALA | ALA | THR | THR | LEU | PRO | ASP | GLY | ALA | ALA | |
| 2 | ALA | GLU | SER | LEU | VAL | GLU | SER | SER | GLU | VAL | |
| 3 | ALA | VAL | ILE | GLY | PHE | PHE | LYS | ASP | VAL | GLU | |
| 4 | SER | ASP | SER | ALA | LYS | GLN | PHE | LEU | GLN | ALA | |
| 5 | ALA | GLU | ALA | ILE | ASP | ASP | ILE | PRO | PHE | GLY | |
| 6 | ILE | THR | SER | ASN | SER | ASP | VAL | PHE | SER | LYS | |
| 7 | TYR | GLN | LEU | ASP | LYS | ASP | GLY | VAL | VAL | LEU | |
| 8 | PHE | LYS | LYS | PHE | ASP | GLU | GLY | ARG | ASN | ASN | |
| 9 | PHE | GLU | GLY | GLU | VAL | THR | LYS | GLU | ASN | LEU | |
| 10 | LEU | ASP | PHE | ILE | LYS | HIS | ASN | GLN | LEU | PRO | |
| 11 | LEU | VAL | ILE | GLU | PHE | THR | GLU | GLN | THR | ALA | 
Samples:
sample_one: Protein Disulfide Isomerase, [U-13C; U-15N], 1  2 mM
sample_conditions_one: ionic strength: 0.01 na; pH: 6.5 na; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions | 
|---|
Software:
No software information available
NMR spectrometers:
- Varian UNITY INOVA 600 MHz
 - Bruker AMX 600 MHz
 
Related Database Links:
| BMRB | 15303 15974 | 
| PDB | |
| DBJ | BAE79726 BAE87231 BAE88032 BAG37999 BAG58932 | 
| EMBL | CAA28775 CAH93050 | 
| GB | AAA61169 AAC13652 AAH10859 AAH29617 AAH71892 | 
| REF | NP_000909 NP_001126805 NP_001233358 XP_002764185 XP_003282223 | 
| SP | P07237 Q2HWU2 Q5R5B6 | 
Download simulated HSQC data in one of the following formats:
            
CSV: Backbone
            or all simulated shifts
            
SPARKY: Backbone
            or all simulated shifts