BMRB Entry 5110

Name: Solution structure of beta3 analogue peptide (HCYS) of HIV gp41 600-612 loop
Published: 2008-07-17

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PDB ID: 1j8z
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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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

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:

Assembly members:
HCYS, polymer, 14 residues, Formula weight is not available

Natural source:

Natural source: Common Name: HIV Taxonomy ID: 12721 Superkingdom: Virus Kingdom: not available Genus/species: Lentivirus human immunodeficiency virus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HCYS: XIWGXSGKLICTTA

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	94

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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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

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