BMRB Entry 11530
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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/BMR11530
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: Mine, Shouhei; Nakamura, Tsutomu; Sato, Takaaki; Ikegami, Takahisa; Uegaki, Koichi. "Solution structure of the chitin-binding domain 1 (ChBD1) of a hyperthermophilic chitinase from Pyrococcus furiosus" J. Biochem. 155, 115-122 (2014).
PubMed: 24272751
Assembly members:
entity, polymer, 73 residues, 8352.153 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 Vector: pet21
Entity Sequences (FASTA):
entity: GPSTSMENLVSLQNLLVYVN
WSSYPKYEPGKEYNQGDIVE
YNGKLYKAKYWTTSPPSDDP
YGSWEYLGEAEPT
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 302 |
| 15N chemical shifts | 75 |
| 1H chemical shifts | 449 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 73 residues - 8352.153 Da.
| 1 | GLY | PRO | SER | THR | SER | MET | GLU | ASN | LEU | VAL | ||||
| 2 | SER | LEU | GLN | ASN | LEU | LEU | VAL | TYR | VAL | ASN | ||||
| 3 | TRP | SER | SER | TYR | PRO | LYS | TYR | GLU | PRO | GLY | ||||
| 4 | LYS | GLU | TYR | ASN | GLN | GLY | ASP | ILE | VAL | GLU | ||||
| 5 | TYR | ASN | GLY | LYS | LEU | TYR | LYS | ALA | LYS | TYR | ||||
| 6 | TRP | THR | THR | SER | PRO | PRO | SER | ASP | ASP | PRO | ||||
| 7 | TYR | GLY | SER | TRP | GLU | TYR | LEU | GLY | GLU | ALA | ||||
| 8 | GLU | PRO | THR |
Samples:
sample_1: MES, [U-100% 15N], 1 mM; MES, [U-100% 13C; U-100% 15N], 1 mM; MES 1 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0 M; pH: 6.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker DRX 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks