BMRB Entry 7116
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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/BMR7116
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Coles, M.; Hulko, M.; Djuranovic, S.; Truffault, V.; Koretke, K.; Martin, J.; Lupas, A.. "Common evolutionary origin of swapped-hairpin and double-psi beta barrels" Structure 14, 1489-1498 (2006).
PubMed: 17027498
Assembly members:
PhS018, polymer, 92 residues, Formula weight is not available
Natural source: Common Name: Pyrococcus horikoshii Taxonomy ID: 53953 Superkingdom: Archaea Kingdom: not available Genus/species: Pyrococcus horikoshii
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
PhS018: MDVLAKFHTTVHRIGRIIIP
AGTRKFYGIEQGDFVEIKIV
KYEGEEPKEGTFTARVGEQG
SVIIPKALRDVIGIKPGEVI
EVLLLGHYKPRN
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 13C chemical shifts | 420 |
| 15N chemical shifts | 89 |
| 1H chemical shifts | 700 |
| coupling constants | 83 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | 92aa long hypothetical protein | 1 |
Entities:
Entity 1, 92aa long hypothetical protein 92 residues - Formula weight is not available
| 1 | MET | ASP | VAL | LEU | ALA | LYS | PHE | HIS | THR | THR | ||||
| 2 | VAL | HIS | ARG | ILE | GLY | ARG | ILE | ILE | ILE | PRO | ||||
| 3 | ALA | GLY | THR | ARG | LYS | PHE | TYR | GLY | ILE | GLU | ||||
| 4 | GLN | GLY | ASP | PHE | VAL | GLU | ILE | LYS | ILE | VAL | ||||
| 5 | LYS | TYR | GLU | GLY | GLU | GLU | PRO | LYS | GLU | GLY | ||||
| 6 | THR | PHE | THR | ALA | ARG | VAL | GLY | GLU | GLN | GLY | ||||
| 7 | SER | VAL | ILE | ILE | PRO | LYS | ALA | LEU | ARG | ASP | ||||
| 8 | VAL | ILE | GLY | ILE | LYS | PRO | GLY | GLU | VAL | ILE | ||||
| 9 | GLU | VAL | LEU | LEU | LEU | GLY | HIS | TYR | LYS | PRO | ||||
| 10 | ARG | ASN |
Samples:
sample_1: PhS018 0.5 mM; PHOSPHATE BUFFER 50 mM; NaCL 50 mM; H2O 90%; D2O 10%
sample_2: PhS018, [U-15N], 0.5 mM; PHOSPHATE BUFFER 50 mM; NaCL 50 mM; H2O 90%; D2O 10%
sample_3: PhS018, [U-13C; U-15N], 0.5 mM; PHOSPHATE BUFFER 50 mM; NaCL 50 mM; H2O 90%; D2O 10%
sample_cond_1: ionic strength: 80 mM; pH: 3.0; pressure: 1 atm; temperature: 305 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| HNHA | not available | not available | not available |
| HNHB | not available | not available | not available |
| HNCO | not available | not available | not available |
| CBCACONH | not available | not available | not available |
| HNCACB | not available | not available | not available |
| CCH-COSY | not available | not available | not available |
| HCCH TOCSY | not available | not available | not available |
Software:
X-PLOR vNIH-2.9.7 - refinement, structure solution
xwinnmr v3.5 - processing
NMRView v5.0.15 - data analysis
NMR spectrometers:
- BRUKER DMX 900 MHz
- BRUKER DMX 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks