BMRB Entry 30128
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30128
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: Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR664
Deposition date: 2016-07-03 Original release date: 2016-09-16
Authors: Tang, Yuefeng; Liu, G.; Montelione, G.; Northeast Structural Genomics Consortium (NESG), NESG
Citation: Tang, Yuefeng; Liu, G.; Montelione, G.. "Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR664" . ., .-..
Assembly members:
entity_1, polymer, 120 residues, 13593.999 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: MQDIVEAAKQAAIAIFQLWK
NPTDPEAQELLNKILSPDVL
DQVREHARELQKQGIHFEVK
RVEVTTDGNTVNVTVELEET
TGGTTTNTTYELRFEVDGDT
IRRVTVTQNGGSLEHHHHHH
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 384 |
| 15N chemical shifts | 121 |
| 1H chemical shifts | 804 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 120 residues - 13593.999 Da.
| 1 | MET | GLN | ASP | ILE | VAL | GLU | ALA | ALA | LYS | GLN | |
| 2 | ALA | ALA | ILE | ALA | ILE | PHE | GLN | LEU | TRP | LYS | |
| 3 | ASN | PRO | THR | ASP | PRO | GLU | ALA | GLN | GLU | LEU | |
| 4 | LEU | ASN | LYS | ILE | LEU | SER | PRO | ASP | VAL | LEU | |
| 5 | ASP | GLN | VAL | ARG | GLU | HIS | ALA | ARG | GLU | LEU | |
| 6 | GLN | LYS | GLN | GLY | ILE | HIS | PHE | GLU | VAL | LYS | |
| 7 | ARG | VAL | GLU | VAL | THR | THR | ASP | GLY | ASN | THR | |
| 8 | VAL | ASN | VAL | THR | VAL | GLU | LEU | GLU | GLU | THR | |
| 9 | THR | GLY | GLY | THR | THR | THR | ASN | THR | THR | TYR | |
| 10 | GLU | LEU | ARG | PHE | GLU | VAL | ASP | GLY | ASP | THR | |
| 11 | ILE | ARG | ARG | VAL | THR | VAL | THR | GLN | ASN | GLY | |
| 12 | GLY | SER | LEU | GLU | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: OR664, [U-99% 13C; U-99% 15N], 1.27 ± 0.1 mM; NaCl 137 mM; KCl 2.7 mM; Na2HPO4 10 mM; KH2PO4 1.8 mM
sample_conditions_1: ionic strength: 140 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCOCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D SIMUTANEOUS 13C-AROMATIC,13C- ALIPHATIC,15N EDITED 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
AutoStructure, Huang, Tejero, Powers and Montelione - structure calculation
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
XEASY, Bartels et al. - peak picking
AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment
NMR spectrometers:
- Bruker AVENCE 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts