BMRB: 7367

Solution structure of a Beta-Hairpin Peptidomimetic Inhibitor of the BIV Tat-Tar Interaction

Authors

Moehle, K., Patora, K., Robinson, J.A.

Assembly

L-22

Entity

1. L-22 (polymer), 14 monomers, 1761.133 Da Detail

RVRTRKGRRI RIPP

Formula weight

1761.133 Da

Entity Connection

covalent 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:ARG1:N	1:PRO14:C

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.5 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	87.5 % (91 of 104)	87.5 % (91 of 104)
Backbone	100.0 % (27 of 27)	100.0 % (27 of 27)
Sidechain	83.1 % (64 of 77)	83.1 % (64 of 77)
Methyl	85.7 % (6 of 7)	85.7 % (6 of 7)

1. L-22 CYCLIC PEPTIDE

RVRTRKGRRI RIPP

Show sample condition

Sample

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 2.3, Details unlabeled 5mM L-22 cyclic peptide; 90% H2O, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	L-22_CYCLIC_PEPTIDE	unlabeled		5 mM
2	D2O			10 %
3	H2O			90 %

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Calculated from 20 models in PDB: 2NS4, Strand ID: A Detail

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Release date

2007-09-25

Citation

Structure-guided peptidomimetic design leads to nanomolar beta-hairpin inhibitors of the Tat-TAR interaction of bovine immunodeficiency virus
Athanassiou, Z., Patora, K., Dias, R.L.A., Moehle, K., Robinson, J.A., Varani, G.
Biochemistry (2007), 46, 741-751, PubMed 17223695 , DOI 10.1021/bi0619371 , Abstract

Related entities 1. L-22, : 1 : 4 : 7 entities Detail

Experiments performed 3 experiments Detail