BMRB Entry 11589
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11589
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Title: A GB1-gp41 fusion protein containing hydrophobic pocket binding domain residues of gp41 PubMed: 25792539
Deposition date: 2015-03-06 Original release date: 2018-12-11
Authors: Walsh, Joseph; Chu, Shidong; Zhang, Shao-Qing; Gochin, Miriam
Citation: Walsh, Joseph; Chu, Shidong; Zhang, Shao-Qing; Gochin, Miriam. "Design and characterization of swapped-domain constructs of HIV-1 glycoprotein-41 as receptors for drug discovery." Protein Eng. Des. Sel. 28, 107-116 (2015).
Assembly members:
GB1(i635), polymer, 96 residues, 10696.3 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pRK603
Entity Sequences (FASTA):
GB1(i635): MGSSHHHHHHSGGSMQYKLI
LNGKTLKGETTTEAVDAATA
EKVFKQYANDNGVDGEWTYD
DATKTFTVTEGGSGGSNKSL
EQKANHETWEAWDREI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 162 |
| 15N chemical shifts | 86 |
| 1H chemical shifts | 86 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | gp41 hydrophobic pocket binding domain | 1 |
Entities:
Entity 1, gp41 hydrophobic pocket binding domain 96 residues - 10696.3 Da.
| 1 | MET | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | SER | GLY | GLY | SER | MET | GLN | TYR | LYS | LEU | ILE | ||||
| 3 | LEU | ASN | GLY | LYS | THR | LEU | LYS | GLY | GLU | THR | ||||
| 4 | THR | THR | GLU | ALA | VAL | ASP | ALA | ALA | THR | ALA | ||||
| 5 | GLU | LYS | VAL | PHE | LYS | GLN | TYR | ALA | ASN | ASP | ||||
| 6 | ASN | GLY | VAL | ASP | GLY | GLU | TRP | THR | TYR | ASP | ||||
| 7 | ASP | ALA | THR | LYS | THR | PHE | THR | VAL | THR | GLU | ||||
| 8 | GLY | GLY | SER | GLY | GLY | SER | ASN | LYS | SER | LEU | ||||
| 9 | GLU | GLN | LYS | ALA | ASN | HIS | GLU | THR | TRP | GLU | ||||
| 10 | ALA | TRP | ASP | ARG | GLU | ILE |
Samples:
sample_1: GB1(i635), [U-100% 13C; U-100% 15N], 1.3 – 2.1 mM; MES 10 mM; arginine 50 mM; glutamate 50 mM; H2O 90%; D2O, U-2H, 10%
sample_conditions_1: ionic strength: 0 M; pH: 5.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CARA, Swiss Federal Institute of Technology - chemical shift assignment
SPARKY, Goddard - data analysis
NMR spectrometers:
- Bruker Avance 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts