BMRB: 5110

Solution structure of beta3 analogue peptide (HCYS) of HIV gp41 600-612 loop

Authors

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

Assembly

HCYS BETA3-CYS ANALOGUE OF HIV GP41

Entity

1. HCYS BETA3-CYS ANALOGUE OF HIV GP41 (polymer, Thiol state: all disulfide bound), 14 monomers, 1392.686 Da Detail

XIWGXSGKLI CTTA

Formula weight

1392.686 Da

Entity Connection

disulfide 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:BCX5:SG	1:CYS11:SG

Source organism

Human immunodeficiency virus

Exptl. method

NMR

Refine. method

torsion angle dynamics, molecular dynamics, energy minimization.

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 85.7 %, Completeness: 98.5 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	98.5 % (65 of 66)	98.5 % (65 of 66)
Backbone	100.0 % (26 of 26)	100.0 % (26 of 26)
Sidechain	97.5 % (39 of 40)	97.5 % (39 of 40)
Aromatic	83.3 % (5 of 6)	83.3 % (5 of 6)
Methyl	100.0 % (9 of 9)	100.0 % (9 of 9)

1. HCYS

XIWGXSGKLI CTTA

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K

#	Name	Isotope labeling	Type	Concentration
1	HCYS			2 mM
2	DMSO	[U-2H]		100 %

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Protein Blocks Logo

Calculated from 24 models in PDB: 1J8Z, Strand ID: A Detail

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Release date

2015-04-15

Citation

Structural and Immunological Characterization 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, DOI 10.1016/s0022-2836(02)00701-5

Related entities 1. HCYS BETA3-CYS ANALOGUE OF HIV GP41, : 1 : 27 : 107 entities Detail

Interaction partners 1. HCYS BETA3-CYS ANALOGUE OF HIV GP41, : 1 interactors Detail

Experiments performed 3 experiments Detail