BMRB Entry 5062
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5062
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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignment for Unfolded HIV-1 protease tethered dimer PubMed: 11741592
Deposition date: 2001-06-19 Original release date: 2002-01-23
Authors: Bhavesh, Neel; Panchal, Sanjay; Mittal, Rohit; Hosur, Ramkrishna
Citation: Bhavesh, Neel; Panchal, Sanjay; Mittal, Rohit; Hosur, Ramkrishna. "NMR Identification of local Structural Preferences in HIV-I Protease Tethered Heterodimer in 6 M Guanidine Hydrochloride" FEBS Lett. 509, 218-224 (2001).
Assembly members:
HIV-1 protease, polymer, 203 residues, 21971 Da.
Natural source: Common Name: HIV-1 Taxonomy ID: 11676 Superkingdom: Viruses Kingdom: not available Genus/species: Lentivirus Lentivirus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
HIV-1 protease: PQVTLWQRPLVTIKIGGQLK
EALLDTGADDTVLEEMSLPG
RWKPKMIGGIGGFIKVRQYD
QILIEICAHKAIGTVLVGPT
PVNIIGRNLLTQIGMTLNFG
GSSGPQVTLWQRPLVTIKIG
GQLKEALLDTGADDTVLEEM
SLPGRWKPKMIGGIGGFIKV
RQYDQILIEICAHKAIGTVL
VGPTPVNIIGRNLLTQIGAT
LNF
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 569 |
15N chemical shifts | 191 |
1H chemical shifts | 190 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | HIV-1 protease | 1 |
Entities:
Entity 1, HIV-1 protease 203 residues - 21971 Da.
1 | PRO | GLN | VAL | THR | LEU | TRP | GLN | ARG | PRO | LEU | ||||
2 | VAL | THR | ILE | LYS | ILE | GLY | GLY | GLN | LEU | LYS | ||||
3 | GLU | ALA | LEU | LEU | ASP | THR | GLY | ALA | ASP | ASP | ||||
4 | THR | VAL | LEU | GLU | GLU | MET | SER | LEU | PRO | GLY | ||||
5 | ARG | TRP | LYS | PRO | LYS | MET | ILE | GLY | GLY | ILE | ||||
6 | GLY | GLY | PHE | ILE | LYS | VAL | ARG | GLN | TYR | ASP | ||||
7 | GLN | ILE | LEU | ILE | GLU | ILE | CYS | ALA | HIS | LYS | ||||
8 | ALA | ILE | GLY | THR | VAL | LEU | VAL | GLY | PRO | THR | ||||
9 | PRO | VAL | ASN | ILE | ILE | GLY | ARG | ASN | LEU | LEU | ||||
10 | THR | GLN | ILE | GLY | MET | THR | LEU | ASN | PHE | GLY | ||||
11 | GLY | SER | SER | GLY | PRO | GLN | VAL | THR | LEU | TRP | ||||
12 | GLN | ARG | PRO | LEU | VAL | THR | ILE | LYS | ILE | GLY | ||||
13 | GLY | GLN | LEU | LYS | GLU | ALA | LEU | LEU | ASP | THR | ||||
14 | GLY | ALA | ASP | ASP | THR | VAL | LEU | GLU | GLU | MET | ||||
15 | SER | LEU | PRO | GLY | ARG | TRP | LYS | PRO | LYS | MET | ||||
16 | ILE | GLY | GLY | ILE | GLY | GLY | PHE | ILE | LYS | VAL | ||||
17 | ARG | GLN | TYR | ASP | GLN | ILE | LEU | ILE | GLU | ILE | ||||
18 | CYS | ALA | HIS | LYS | ALA | ILE | GLY | THR | VAL | LEU | ||||
19 | VAL | GLY | PRO | THR | PRO | VAL | ASN | ILE | ILE | GLY | ||||
20 | ARG | ASN | LEU | LEU | THR | GLN | ILE | GLY | ALA | THR | ||||
21 | LEU | ASN | PHE |
Samples:
sample_1: HIV-1 protease, [U-95% 13C; U-90% 15N], 1.2 mM; guanidine hydrochloride 6 M
cond_1: pH: 5.2; temperature: 305 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
Two new pulse sequences HNN, HN(C)N were used to get HN, NH assignments | sample_1 | not available | cond_1 |
in this poorly amide proton dispersed spectra in unfolded condition. | sample_1 | not available | cond_1 |
Software:
FELIX v97 -
NMR spectrometers:
- Varian UNITYplus 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts