BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 19262

Title: NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of hexafluoroisopropanol

Deposition date: 2013-05-23 Original release date: 2014-01-21

Authors: Serrano, Soraya; Huarte, Nerea; Nieva, Jose; Jimenez, M. Angeles

Citation: Serrano, Soraya; Araujo, Aitziber; Apellaniz, Beatriz; de la Arada, Igor; Huarte, Nerea; Arrondo, Jose; Jimenez, M. Angeles; Nieva, Jose. "Structure and immunogenicity of a peptide vaccine based on the membrane proximal external region of HIV-1 gp41"  Not known ., .-..

Assembly members:
MPERp, polymer, 28 residues, 3656.148 Da.

Natural source:   Common Name: HIV   Taxonomy ID: 11676   Superkingdom: Viruses   Kingdom: not available   Genus/species: Lentivirus Human Immunodeficiency Virus 1

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
MPERp: NEQELLELDKWASLWNWFNI TNWLWYIK

Data sets:
Data typeCount
13C chemical shifts18
1H chemical shifts222

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1MPERp-11

Entities:

Entity 1, MPERp-1 28 residues - 3656.148 Da.

1   ASNGLUGLNGLULEULEUGLULEUASPLYS
2   TRPALASERLEUTRPASNTRPPHEASNILE
3   THRASNTRPLEUTRPTYRILELYS

Samples:

sample_1: MPERp 0.5 mM; H2O 67.5%; D2O, [U-100% 2H], 7.5%; hexafluoroisopropanol 25%; HEPES 2 mM; DSS 0.1 mM

sample_conditions_1: ionic strength: 2 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 15605 18237 19215 19263
PDB
DBJ BAA12995 BAA13003 BAD66665 BAF34648 BAH97413
EMBL CAA25903 CAA77628 CAI79675 CAI79676 CAI79677
GB AAA19136 AAA19137 AAA19138 AAA19139 AAA19148
PIR VCLJSC
PRF 1102247A
REF NP_057856 NP_579895
SP P03375 P03377 P04578 P04582 P04624