BMRB Entry 15828
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15828
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Title: NMR Structure for PF0385
Deposition date: 2008-06-26 Original release date: 2008-08-20
Authors: Prestegard, James; Tian, Fang; Baucom, Clay; Adams, Michael; Sugar, Frank
Citation: Prestegard, James; Tian, Fang; Baucom, Clay; Adams, Michael; Sugar, Frank. "NMR structure of PF0385" Not known ., .-..
Assembly members:
PF0385, polymer, 88 residues, 10472.290 Da.
Natural source: Common Name: Pyrococcus furiosus Taxonomy ID: 2261 Superkingdom: Archaea Kingdom: not available Genus/species: Pyrococcus furiosus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
PF0385: MAKCPICGSPLKWEELIEEM
LIIENFEEIVKDRERFLAQV
EEFVFKCPVCGEEFYGKTLP
RREAEKVFELLNDFKGGIDW
ENKRVKLK
- assigned_chemical_shifts
- RDCs
| Data type | Count |
| 13C chemical shifts | 247 |
| 15N chemical shifts | 85 |
| 1H chemical shifts | 467 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PF0385 | 1 |
Entities:
Entity 1, PF0385 88 residues - 10472.290 Da.
| 1 | MET | ALA | LYS | CYS | PRO | ILE | CYS | GLY | SER | PRO | ||||
| 2 | LEU | LYS | TRP | GLU | GLU | LEU | ILE | GLU | GLU | MET | ||||
| 3 | LEU | ILE | ILE | GLU | ASN | PHE | GLU | GLU | ILE | VAL | ||||
| 4 | LYS | ASP | ARG | GLU | ARG | PHE | LEU | ALA | GLN | VAL | ||||
| 5 | GLU | GLU | PHE | VAL | PHE | LYS | CYS | PRO | VAL | CYS | ||||
| 6 | GLY | GLU | GLU | PHE | TYR | GLY | LYS | THR | LEU | PRO | ||||
| 7 | ARG | ARG | GLU | ALA | GLU | LYS | VAL | PHE | GLU | LEU | ||||
| 8 | LEU | ASN | ASP | PHE | LYS | GLY | GLY | ILE | ASP | TRP | ||||
| 9 | GLU | ASN | LYS | ARG | VAL | LYS | LEU | LYS |
Samples:
sample_1: PF0385, [U-100% 13C; U-100% 15N], 1.2 mM; Tris-Mops 20 mM; DTT 5 mM; KCl 50 mM; H2O 90%; D2O, [U-100% 2H], 10%
sample_2: PF0385, [U-100% 13C; U-100% 15N], 0.8 mM; Tris-Mops 20 mM; DTT 5 mM; KCl 50 mM; H2O 90%; D2O, [U-100% 2H], 10%
sample_conditions_1: ionic strength: 50 mM; pH: 7.0; 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 CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC-IPAP | sample_2 | anisotropic | sample_conditions_1 |
Software:
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts