BMRB Entry 5108

Name: Solution structure of lactam analogue (DapE) of HIV gp41 600-612 loop
Published: 2003-01-28

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PDB ID: 1jaa
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5108
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of lactam analogue (DapE) of HIV gp41 600-612 loop

Deposition date:

2001-08-15

Original release date:

2003-01-28

Authors:

Du, Angelique; Limal, David; Semetey, Vincent; Dali, Hayet; Jolivet, Michel; Desgranges, Claude; Cung, Manh; Briand, Jean; Petit, Marie; Muller, Sylviane

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:
DapE analogue peptide of gp41 600-612 loop, 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):
DapE analogue peptide of gp41 600-612 loop: XIWGXSGKLIETTA

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	90

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DapE: (Ace)IWG(Dnp)SGKLIETTA ANALOGUE OF HIV GP41	1

Entities:

Entity 1, DapE: (Ace)IWG(Dnp)SGKLIETTA ANALOGUE OF HIV GP41 14 residues - Formula weight is not available

1

ACE

ILE

TRP

GLY

DNP

SER

GLY

LYS

LEU

ILE

2

GLU

THR

ALA

Samples:

sample_1: DapE analogue peptide of gp41 600-612 loop 3.0 mM; DMSO, [U-2H], 100%

sample_cond_1: pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
TOCSY	sample_1	not available	sample_cond_1
DQF-COSY	sample_1	not available	sample_cond_1
2D NOESY	sample_1	not available	sample_cond_1

Software:

xwinnmr v2.6 - collection, processing

XEASY v1.2 - data analysis

DYANA v1.5 - refinement

DISCOVER v3 - refinement

NMR spectrometers:

Bruker AVANCE 600 MHz