BMRB Entry 18135
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18135
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Title: A single GalNAc residue on Threonine-106 modifies the dynamics and the structure of Interferon alpha-2a around the glycosylation site. PubMed: 23184955
Deposition date: 2011-12-12 Original release date: 2012-12-04
Authors: Ghasriani, Houman; Belcourt, Pascal; Sauve, Simon; Hodgson, Derek; Gingras, Genevieve; Brochu, Denis; Gilbert, Michel; Aubin, Yves
Citation: Ghasriani, Houman; Belcourt, Pascal; Sauve, Simon; Hodgson, Derek; Brochu, Denis; Gilbert, Michel; Aubin, Yves. "A single N-acetylgalactosamine residue at threonine 106 modifies the dynamics and structure of interferon 2a around the glycosylation site." J. Biol. Chem. 288, 247-254 (2013).
Assembly members:
Interferon_Alpha-2a, polymer, 165 residues, 19264.242 Da.
A2G, non-polymer, 221.208 Da.
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):
Interferon_Alpha-2a: CDLPQTHSLGSRRTLMLLAQ
MRKISLFSCLKDRHDFGFPQ
EEFGNQFQKAETIPVLHEMI
QQIFNLFSTKDSSAAWDETL
LDKFYTELYQQLNDLEACVI
QGVGVTETPLMKEDSILAVR
KYFQRITLYLKEKKYSPCAW
EVVRAEIMRSFSLSTNLQES
LRSKE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 731 |
| 15N chemical shifts | 178 |
| 1H chemical shifts | 1197 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | SUGAR (N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE) | 2 |
Entities:
Entity 1, entity_1 165 residues - 19264.242 Da.
O-glycosylation at Thr106, with N-Acetyl-D-Galactosamine(alpha).
| 1 | CYS | ASP | LEU | PRO | GLN | THR | HIS | SER | LEU | GLY | ||||
| 2 | SER | ARG | ARG | THR | LEU | MET | LEU | LEU | ALA | GLN | ||||
| 3 | MET | ARG | LYS | ILE | SER | LEU | PHE | SER | CYS | LEU | ||||
| 4 | LYS | ASP | ARG | HIS | ASP | PHE | GLY | PHE | PRO | GLN | ||||
| 5 | GLU | GLU | PHE | GLY | ASN | GLN | PHE | GLN | LYS | ALA | ||||
| 6 | GLU | THR | ILE | PRO | VAL | LEU | HIS | GLU | MET | ILE | ||||
| 7 | GLN | GLN | ILE | PHE | ASN | LEU | PHE | SER | THR | LYS | ||||
| 8 | ASP | SER | SER | ALA | ALA | TRP | ASP | GLU | THR | LEU | ||||
| 9 | LEU | ASP | LYS | PHE | TYR | THR | GLU | LEU | TYR | GLN | ||||
| 10 | GLN | LEU | ASN | ASP | LEU | GLU | ALA | CYS | VAL | ILE | ||||
| 11 | GLN | GLY | VAL | GLY | VAL | THR | GLU | THR | PRO | LEU | ||||
| 12 | MET | LYS | GLU | ASP | SER | ILE | LEU | ALA | VAL | ARG | ||||
| 13 | LYS | TYR | PHE | GLN | ARG | ILE | THR | LEU | TYR | LEU | ||||
| 14 | LYS | GLU | LYS | LYS | TYR | SER | PRO | CYS | ALA | TRP | ||||
| 15 | GLU | VAL | VAL | ARG | ALA | GLU | ILE | MET | ARG | SER | ||||
| 16 | PHE | SER | LEU | SER | THR | ASN | LEU | GLN | GLU | SER | ||||
| 17 | LEU | ARG | SER | LYS | GLU |
Entity 2, SUGAR (N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE) - C8 H15 N O6 - 221.208 Da.
| 1 | A2G |
Samples:
sample_1: Interferon Alpha-2a (O-glycosylated), [U-100% 13C; U-100% 15N], 0.85 mM; Denaturated Sodium Acetate 25 mM; H2O 90%; D2O 10%
sample_2: Interferon Alpha-2a (O-glycosylated), [U-100% 13C; U-100% 15N], 0.53 mM; Deuturated Sodium Acetate 25 mM; H2O 90%; D2O 10%
sample_3: Interferon Alpha-2a (O-glycosylated), [U-100% 13C; U-100% 15N], 0.87 mM; Deuturated Sodium Acetate 25 mM; D2O 100%
sample_conditions_1: ionic strength: 25 mM; pH: 3.5; pressure: 1 atm; temperature: 298.15 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | 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 aliphatic | sample_3 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_3 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D (hb)CB(cgcd)HD | sample_3 | isotropic | sample_conditions_1 |
| 2D (hb)CB(cgcdce)HE | sample_3 | isotropic | sample_conditions_1 |
| 4D (C13)HSQC-NOESY-(N15)HSQC | sample_1 | isotropic | sample_conditions_1 |
| 4D (C13)HSQC-NOESY-(C13)HSQC | sample_3 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 700 MHz
- Bruker Avance III 600 MHz
Related Database Links:
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts