BMRB Entry 15594
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15594
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Barnwal, Ravi Pratap; Rout, Ashok K; Chary, Kandala VR; Atreya, HS. "Rapid Measurement of Pseudocontact Shifts in Paramagnetic Proteins by GFT NMR Spectroscopy" Open Mag. Res. J. 1, 16-28 (2008).
Assembly members:
calbindin_in_presence_of_Yb3+, polymer, 75 residues, Formula weight is not available
CA, non-polymer, Formula weight is not available
YB, non-polymer, Formula weight is not available
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: NA
Entity Sequences (FASTA):
calbindin_in_presence_of_Yb3+: KSPEELKGIFEKYAAKEGDP
NQLSKEELKLLLQTEFPSLL
KGMSTLDELFEELDKNGDGE
VSFEEFQVLVKKISQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 113 |
| 15N chemical shifts | 52 |
| 1H chemical shifts | 89 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | sub unit 1 | 1 |
| 2 | CA | 2 |
| 3 | YB | 3 |
Entities:
Entity 1, sub unit 1 75 residues - Formula weight is not available
| 1 | LYS | SER | PRO | GLU | GLU | LEU | LYS | GLY | ILE | PHE | ||||
| 2 | GLU | LYS | TYR | ALA | ALA | LYS | GLU | GLY | ASP | PRO | ||||
| 3 | ASN | GLN | LEU | SER | LYS | GLU | GLU | LEU | LYS | LEU | ||||
| 4 | LEU | LEU | GLN | THR | GLU | PHE | PRO | SER | LEU | LEU | ||||
| 5 | LYS | GLY | MET | SER | THR | LEU | ASP | GLU | LEU | PHE | ||||
| 6 | GLU | GLU | LEU | ASP | LYS | ASN | GLY | ASP | GLY | GLU | ||||
| 7 | VAL | SER | PHE | GLU | GLU | PHE | GLN | VAL | LEU | VAL | ||||
| 8 | LYS | LYS | ILE | SER | GLN |
Entity 2, CA - Formula weight is not available
| 1 | CA |
Entity 3, YB - Formula weight is not available
| 1 | YB |
Samples:
sample_1: sub unit 1, [U-98% 13C; U-98% 15N], 1.6 mM; D2O, [U-100% 2H], 10%; H2O 90%
sample_conditions_1: 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 |
| GFT HNCO | sample_1 | isotropic | sample_conditions_1 |
| GFT HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| GFT CB(CACO)NH | sample_1 | isotropic | sample_conditions_1 |
| GFT HNHA | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMR, Varian - collection
xwinnmr, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 500 MHz
- Varian INOVA 600 MHz
Related Database Links:
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks