BMRB Entry 15555
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15555
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Chen, Ting; Lee, Tian-Ren; Liang, Wei-Guang; Chang, Wun-Shaing Wayne; Lyu, Ping-Chiang. "Identification of trypsin-inhibitory site and structure determination of human SPINK2 serine proteinase inhibitor" Proteins 77, 209-219 (2009).
PubMed: 19422058
Assembly members:
SPINK2, polymer, 62 residues, 7025.208 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 Vector: pET32a
Entity Sequences (FASTA):
SPINK2: PQFGLFSKYRTPNCSQYRLP
GCPRHFNPVCGSDMSTYANE
CTLCMKIREGGHNIKIIRNG
PC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 345 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SPINK2 | 1 |
Entities:
Entity 1, SPINK2 62 residues - 7025.208 Da.
| 1 | PRO | GLN | PHE | GLY | LEU | PHE | SER | LYS | TYR | ARG | ||||
| 2 | THR | PRO | ASN | CYS | SER | GLN | TYR | ARG | LEU | PRO | ||||
| 3 | GLY | CYS | PRO | ARG | HIS | PHE | ASN | PRO | VAL | CYS | ||||
| 4 | GLY | SER | ASP | MET | SER | THR | TYR | ALA | ASN | GLU | ||||
| 5 | CYS | THR | LEU | CYS | MET | LYS | ILE | ARG | GLU | GLY | ||||
| 6 | GLY | HIS | ASN | ILE | LYS | ILE | ILE | ARG | ASN | GLY | ||||
| 7 | PRO | CYS |
Samples:
sample: SPINK2 1.5 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 3.7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample | anisotropic | sample_conditions_1 |
Software:
CNS, Brunger A. T. et.al. - refinement
NMR spectrometers:
- Bruker AVANCE 600 MHz