BMRB Entry 5110
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5110
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Title: Solution structure of beta3 analogue peptide (HCYS) of HIV gp41 600-612 loop
Deposition date: 2001-08-15 Original release date: 2008-07-17
Authors: Phan Chan Du, A.; Limal, D.; Semetey, V.; Dali, H.; Jolivet, M.; Desgranges, C.; Cung, M.; Briand, J.; Petit, M.; Muller, S.
Citation: Du, Angelique; Limal, David; Semetey, Vincent; Dali, Hayet; Jolivet, Michel; Desgranges, Claude; Cung, Manh; Briand, Jean; Petit, Marie; Muller, Sylviane. "Structural and Immunological Characterization of Heteroclitic Peptide Analogues Corresponding to the 600-612 Region of the HIV Envelope gp41 Glycoprotein" J. Mol. Biol. 323, 503-521 (2002).
Assembly members:
HCYS, polymer, 14 residues, Formula weight is not available
Natural source: Common Name: HIV Taxonomy ID: 12721 Superkingdom: Virus Kingdom: not available Genus/species: Lentivirus human immunodeficiency virus
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
HCYS: XIWGXSGKLICTTA
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 94 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HCYS BETA3-CYS ANALOGUE OF HIV GP41 | 1 |
Entities:
Entity 1, HCYS BETA3-CYS ANALOGUE OF HIV GP41 14 residues - Formula weight is not available
| 1 | ACE | ILE | TRP | GLY | BCX | SER | GLY | LYS | LEU | ILE | ||||
| 2 | CYS | THR | THR | ALA |
Samples:
sample_1: HCYS 2 mM; DMSO, [U-2H], 100%
sample_2: HCYS 4 mM; DMSO, [U-2H], 100%
sample_cond_1: pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | sample_cond_1 |
| DQF-COSY | not available | not available | sample_cond_1 |
| TOCSY | not available | not available | sample_cond_1 |
Software:
xwinnmr v2.6 - collection, processing
XEASY v1.2 - data analysis
DYANA v1.5 - structure solution
DISCOVER v3 - structure solution
NMR spectrometers:
- Bruker AVANCE 600 MHz