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NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of dodecylphosphocholine micelles
Authors
Serrano, S., Apellaniz, B., Huarte, N., Nieva, J.L., Jimenez, M.
Assembly
peptide derived from the membrane proximal external region of HIV-1 gp41
Entity
1. peptide derived from the membrane proximal external region of HIV-1 gp41 (polymer, Thiol state: not present), 28 monomers, 3483.258 Da Detail

KKKNWFDITN WLWYIKLFIM IVGGLVKK


Formula weight
3483.258 Da
Source organism
Human immunodeficiency virus
Exptl. method
solution NMR
Refine. method
torsion angle dynamics, molecular dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 61.1 %, Completeness (bb): 40.0 % Detail

Polymer type: polypeptide(L)

Total1H13C
All61.1 % (223 of 365)97.6 % (203 of 208)12.7 % (20 of 157)
Backbone40.0 % (56 of 140)96.6 % (56 of 58) 0.0 % (0 of 82)
Sidechain66.5 % (167 of 251)98.0 % (147 of 150)19.8 % (20 of 101)
Aromatic52.5 % (32 of 61)100.0 % (32 of 32) 0.0 % (0 of 29)
Methyl100.0 % (38 of 38)100.0 % (19 of 19)100.0 % (19 of 19)

1. CpreTM

KKKNWFDITN WLWYIKLFIM IVGGLVKK

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0


#NameIsotope labelingTypeConcentration
1CpreTMnatural abundance0.5 mM
2H2Onatural abundance90 %
3D2O[U-100% 2H]10 %
4DPC[U-99% 2H]20 mM
5HEPESnatural abundance2 mM
6DSSnatural abundance0.1 mM

Protein Blocks Logo
Calculated from 20 models in PDB: 2MG3, Strand ID: A Detail


Release date
2015-03-22
Citation
The Atomic Structure of the HIV-1 gp41 Transmembrane Domain and its Connection to the Inmmunogenic Membrane-proximal External Region
Serrano, S., Apellaniz, B., Huarte, N., Jimenez, M., Nieva, J.L.
Not known
Related entities 1. peptide derived from the membrane proximal external region of HIV-1 gp41, : 1 : 1 : 88 entities Detail
Experiments performed 4 experiments Detail
NMR combined restraints 4 contents Detail
Keywords HIV-1 gp41 protein, MPER, neutralizing epitope, peptide, peptide vaccine