BMRB Entry 10242
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR10242
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Title: Solution structures of the PDZ domain of human Interleukin-16
Deposition date: 2008-10-24 Original release date: 2009-11-03
Authors: Sato, M.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.
Citation: Sato, M.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "Solution structures of the PDZ domain of human Interleukin-16" . ., .-..
Assembly members:
PDZ domain, polymer, 119 residues, Formula weight is not available
Natural source: Common Name: human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: cell free synthesis
Entity Sequences (FASTA):
PDZ domain: GSSGSSGATLKQLDGIHVTI
LHKEEGAGLGFSLAGGADLE
NKVITVHRVFPNGLASQEGT
IQKGNEVLSINGKSLKGTTH
HDALAILRQAREPRQAVIVT
RKLTPEAMPDLNSSGPSSG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 456 |
| 15N chemical shifts | 111 |
| 1H chemical shifts | 747 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PDZ domain | 1 |
Entities:
Entity 1, PDZ domain 119 residues - Formula weight is not available
| 1 | GLY | SER | SER | GLY | SER | SER | GLY | ALA | THR | LEU | ||||
| 2 | LYS | GLN | LEU | ASP | GLY | ILE | HIS | VAL | THR | ILE | ||||
| 3 | LEU | HIS | LYS | GLU | GLU | GLY | ALA | GLY | LEU | GLY | ||||
| 4 | PHE | SER | LEU | ALA | GLY | GLY | ALA | ASP | LEU | GLU | ||||
| 5 | ASN | LYS | VAL | ILE | THR | VAL | HIS | ARG | VAL | PHE | ||||
| 6 | PRO | ASN | GLY | LEU | ALA | SER | GLN | GLU | GLY | THR | ||||
| 7 | ILE | GLN | LYS | GLY | ASN | GLU | VAL | LEU | SER | ILE | ||||
| 8 | ASN | GLY | LYS | SER | LEU | LYS | GLY | THR | THR | HIS | ||||
| 9 | HIS | ASP | ALA | LEU | ALA | ILE | LEU | ARG | GLN | ALA | ||||
| 10 | ARG | GLU | PRO | ARG | GLN | ALA | VAL | ILE | VAL | THR | ||||
| 11 | ARG | LYS | LEU | THR | PRO | GLU | ALA | MET | PRO | ASP | ||||
| 12 | LEU | ASN | SER | SER | GLY | PRO | SER | SER | GLY |
Samples:
sample_1: PDZ domain, [U-13C; U-15N], 1 mM; d-Tris HCl 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; H2O 90%; D2O 10%
condition_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 13C-separated NOESY | sample_1 | isotropic | condition_1 |
| 3D 15N-separated NOESY | sample_1 | isotropic | condition_1 |
Software:
xwinnmr v3.5, Bruker - collection
NMRPipe v20031121, Delaglio, F. - processing
NMRView v5.0.4, Johnson, B.A. - data analysis
Kujira v0.9295, Kobayashi, N. - data analysis
CYANA v1.0.7, Guntert, P. - refinement, structure solution
NMR spectrometers:
- Bruker AVANCE 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts