BMRB: 5136

Solution structure of lactam analogue (EDap (Ace)IWGESGKLI(DAB)TTA) of HIV gp41 600-612 loop

Authors

Phan Chan Du, A., Limal, D., Semetey, V., Dali, H., Jolivet, M., Desgranges, C., Cung, M., Briand, J., Petit, M., Muller, S.

Assembly

EDap (Ace)IWGESGKLI(DAB)TTA analogue of HIV GP41

Entity

1. EDap (Ace)IWGESGKLI(DAB)TTA analogue of HIV GP41 (polymer, Thiol state: not present), 14 monomers, 1401.606 Da Detail

XIWGESGKLI XTTA

Formula weight

1401.606 Da

Source organism

Human immunodeficiency virus

Exptl. method

NMR

Refine. method

torsion angle dynamics, energy minimization, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 78.6 %, Completeness: 94.1 %, Completeness (bb): 92.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	94.1 % (64 of 68)	94.1 % (64 of 68)
Backbone	92.3 % (24 of 26)	92.3 % (24 of 26)
Sidechain	95.2 % (40 of 42)	95.2 % (40 of 42)
Aromatic	83.3 % (5 of 6)	83.3 % (5 of 6)
Methyl	88.9 % (8 of 9)	88.9 % (8 of 9)

1. EDap (Ace)IWGESGKLI(DAB)TTA analogue of HIV GP41

XIWGESGKLI XTTA

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K

#	Name	Isotope labeling	Type	Concentration
1	EDap (Ace)IWGESGKLI(DAB)TTA analogue of HIV GP41			3 mM
2	DMSO	[U-2H]		100 %

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Protein Blocks Logo

Calculated from 25 models in PDB: 1JDK, Strand ID: A Detail

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Release date

2015-04-15

Citation

Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein
Du, A.P.C., Limal, D., Semetey, V., Dali, H., Jolivet, M., Desgranges, C., Cung, M.T., Briand, J.P., Petit, M.C., Muller, S.
J. Mol. Biol. (2002), 323, 503-521, PubMed 12381305 , DOI 10.1016/s0022-2836(02)00701-5 , Abstract

Related entities 1. EDap (Ace)IWGESGKLI(DAB)TTA analogue of HIV GP41, : 1 : 1 : 15 entities Detail

Experiments performed 3 experiments Detail