BMRB Entry 18291
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18291
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Title: Backbone 1HN, 13C, and 15N Chemical Shift Assignments for Granulocyte colony-stimulating factor
Deposition date: 2012-02-23 Original release date: 2012-08-21
Authors: Sauve, Simon; Hodgson, Derek; Aubin, Yves
Citation: Hodgson, Derek; Thach, William; Gingras, Genevieve; Sauve, Simon; Bristow, Adrian; Aubin, Yves. "Comparability Study of the Structure of Filgrastim and Mutants using the NMR Fingerprint Assay" J. Pharm. Sci. ., .-..
Assembly members:
metGCSF, polymer, 175 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
metGCSF: MTPLGPASSLPQSFLLKCLE
QVRKIQGDGAALQEKLCATY
KLCHPEELVLLGHSLGIPWA
PLSSCPSQALQLAGCLSQLH
SGLFLYQGLLQALEGISPEL
GPTLDTLQLDVADFATTIWQ
QMEELGMAPALQPTQGAMPA
FASAFQRRAGGVLVASHLQS
FLEVSYRVLRHLAQP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 475 |
| 15N chemical shifts | 155 |
| 1H chemical shifts | 157 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Granulocyte colony-stimulating factor | 1 |
Entities:
Entity 1, Granulocyte colony-stimulating factor 175 residues - Formula weight is not available
Residue 1 is a methionine
| 1 | MET | THR | PRO | LEU | GLY | PRO | ALA | SER | SER | LEU | ||||
| 2 | PRO | GLN | SER | PHE | LEU | LEU | LYS | CYS | LEU | GLU | ||||
| 3 | GLN | VAL | ARG | LYS | ILE | GLN | GLY | ASP | GLY | ALA | ||||
| 4 | ALA | LEU | GLN | GLU | LYS | LEU | CYS | ALA | THR | TYR | ||||
| 5 | LYS | LEU | CYS | HIS | PRO | GLU | GLU | LEU | VAL | LEU | ||||
| 6 | LEU | GLY | HIS | SER | LEU | GLY | ILE | PRO | TRP | ALA | ||||
| 7 | PRO | LEU | SER | SER | CYS | PRO | SER | GLN | ALA | LEU | ||||
| 8 | GLN | LEU | ALA | GLY | CYS | LEU | SER | GLN | LEU | HIS | ||||
| 9 | SER | GLY | LEU | PHE | LEU | TYR | GLN | GLY | LEU | LEU | ||||
| 10 | GLN | ALA | LEU | GLU | GLY | ILE | SER | PRO | GLU | LEU | ||||
| 11 | GLY | PRO | THR | LEU | ASP | THR | LEU | GLN | LEU | ASP | ||||
| 12 | VAL | ALA | ASP | PHE | ALA | THR | THR | ILE | TRP | GLN | ||||
| 13 | GLN | MET | GLU | GLU | LEU | GLY | MET | ALA | PRO | ALA | ||||
| 14 | LEU | GLN | PRO | THR | GLN | GLY | ALA | MET | PRO | ALA | ||||
| 15 | PHE | ALA | SER | ALA | PHE | GLN | ARG | ARG | ALA | GLY | ||||
| 16 | GLY | VAL | LEU | VAL | ALA | SER | HIS | LEU | GLN | SER | ||||
| 17 | PHE | LEU | GLU | VAL | SER | TYR | ARG | VAL | LEU | ARG | ||||
| 18 | HIS | LEU | ALA | GLN | PRO |
Samples:
sample_1: metGCSF, [U-99% 13C; U-99% 15N], 1 mM; sodium acetate 25 mM; D2O 5%; H2O 95%
sample_conditions_1: pH: 4.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection
NMRView v8.2.15, Johnson, One Moon Scientific - data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker Avance III 600 MHz
Related Database Links:
| BMRB | 18293 18294 18295 |
| PDB | |
| DBJ | BAF82936 BAG36289 BAJ21174 |
| EMBL | CAA27168 CAA27290 CAA27291 CAG46689 |
| GB | AAA03056 AAA35882 AAH33245 AAK62469 AAV38741 |
| PRF | 1203374A |
| REF | NP_000750 NP_757373 XP_002827665 XP_003278307 XP_003831483 |
| SP | P09919 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts