BMRB Entry 18195
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18195
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: NMR Solution Structure of Optineurin Zinc-finger Domain
Deposition date: 2012-01-12 Original release date: 2013-01-22
Authors: Wilson, Randall; Wolfsberger, James; Twigg, Pamela
Citation: Wilson, Randall; Caudle, Talitha; Wolfsberger, James; Twigg, Pamela. "NMR Solution Structure of Optineurin Zinc-finger Domain" Not known ., .-..
Assembly members:
entity_1, polymer, 51 residues, 3106.733 Da.
ZINC ION, non-polymer, 65.409 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):
entity_1: MGSSHHHHHHSSGLVPRGSH
MASIPIHSCPKCGEVLPDID
TLQIHVMDCII
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 98 |
| 15N chemical shifts | 32 |
| 1H chemical shifts | 175 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | ZINC ION | 2 |
Entities:
Entity 1, entity_1 51 residues - 3106.733 Da.
Residues 1-23 represent a non-native affinity tag residues 24-52 represent residues 550-577 of optineurin
| 1 | MET | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | SER | SER | GLY | LEU | VAL | PRO | ARG | GLY | SER | HIS | ||||
| 3 | MET | ALA | SER | ILE | PRO | ILE | HIS | SER | CYS | PRO | ||||
| 4 | LYS | CYS | GLY | GLU | VAL | LEU | PRO | ASP | ILE | ASP | ||||
| 5 | THR | LEU | GLN | ILE | HIS | VAL | MET | ASP | CYS | ILE | ||||
| 6 | ILE |
Entity 2, ZINC ION - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: optn550, [U-100% 13C; U-100% 15N], 1.1 ± 0.2 mM; sodium phosphate 50 mM; sodium chloride 50 mM; DSS 0.12 mM; H2O 90%; D2O 10%; sodium azide 0.9%; ZnSO4 100 uM
sample_2: optn550, [U-100% 15N], 1.1 ± 0.2 mM; sodium phosphate 50 mM; sodium chloride 50 mM; DSS 0.12 mM; H2O 90%; D2O 10%; sodium azide 0.9%; ZnSO4 100 uM
sample_conditions_1: pH: 7.3; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
ARIA, Linge, O, . - chemical shift assignment, refinement
X-PLOR, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution
TALOS, Cornilescu, Delaglio and Bax - data analysis
NMR spectrometers:
- Varian INOVA 800 MHz
Related Database Links:
| PDB | |
| GB | EHB07532 KFO34537 |
| REF | XP_004662391 XP_010619596 XP_010619597 XP_010619599 XP_010619600 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts