BMRB Entry 15805
Click here to enlarge.
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/BMR15805
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 structure of protein PF0246 from Pyrococcus furiosus: target PfR75 from the Northeast Structural Genomics Consortium
Deposition date: 2008-06-13 Original release date: 2009-10-12
Authors: Cort, John; Ho, Chi; Shetty, Karishma; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Kennedy, Michael
Citation: Cort, John. "Solution-State NMR Structure of protein PF0246 from Pyrococcus Furiosis" Not known ., .-..
Assembly members:
PA0426, polymer, 111 residues, Formula weight is not available
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):
PA0426: MNSEVIKEFLEDIGEDYIEL
ENEIHLKPEVFYEVWKYVGE
PELKTYVIEDEIVEPGEYDP
PEMKYTNVKKVKIKKVYFET
LDNVRVVTDYSEFQKILKKR
GTKLEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 447 |
| 15N chemical shifts | 102 |
| 1H chemical shifts | 631 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PA0246 | 1 |
Entities:
Entity 1, PA0246 111 residues - Formula weight is not available
The protein contains a C-terminal His-tag, -LEHHHHHH
| 1 | MET | ASN | SER | GLU | VAL | ILE | LYS | GLU | PHE | LEU | ||||
| 2 | GLU | ASP | ILE | GLY | GLU | ASP | TYR | ILE | GLU | LEU | ||||
| 3 | GLU | ASN | GLU | ILE | HIS | LEU | LYS | PRO | GLU | VAL | ||||
| 4 | PHE | TYR | GLU | VAL | TRP | LYS | TYR | VAL | GLY | GLU | ||||
| 5 | PRO | GLU | LEU | LYS | THR | TYR | VAL | ILE | GLU | ASP | ||||
| 6 | GLU | ILE | VAL | GLU | PRO | GLY | GLU | TYR | ASP | PRO | ||||
| 7 | PRO | GLU | MET | LYS | TYR | THR | ASN | VAL | LYS | LYS | ||||
| 8 | VAL | LYS | ILE | LYS | LYS | VAL | TYR | PHE | GLU | THR | ||||
| 9 | LEU | ASP | ASN | VAL | ARG | VAL | VAL | THR | ASP | TYR | ||||
| 10 | SER | GLU | PHE | GLN | LYS | ILE | LEU | LYS | LYS | ARG | ||||
| 11 | GLY | THR | LYS | LEU | GLU | HIS | HIS | HIS | HIS | HIS | ||||
| 12 | HIS |
Samples:
sample_1: PA0426, [U-100% 13C; U-100% 15N], 1 ± 0.1 mM; H2O 95%; D2O, [U-100% 2H], 5%; sodium chloride 100 mM; MES 20 mM; calcium chloride 5 mM; sodium azide 0.02%
sample_2: PA0426, [U-100% 13C; U-100% 15N], 1 ± 0.1 mM; D2O, [U-100% 2H], 100%; sodium chloride 100 mM; MES 20 mM; calcium chloride 5 mM; sodium azide 0.02%
sample_conditions_1: ionic strength: 150 mM; pH: 6.5; pressure: 1 atm; temperature: 313 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 CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | 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-COSY | sample_1 | isotropic | sample_conditions_1 |
| 4D 13C-13C HMQC NOESY | sample_2 | isotropic | sample_conditions_1 |
Software:
FELIX v98, Accelrys Software Inc. - data analysis, processing
SPARKY, Goddard - data analysis, peak picking
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution
AutoStruct, Huang, Tejero, Powers and Montelione - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 750 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts