BMRB Entry 7367

Name: Solution structure of a Beta-Hairpin Peptidomimetic Inhibitor of the BIV Tat-Tar Interaction
Published: 2007-09-26

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PDB ID: 2ns4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR7367
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

Deposition date:

2007-01-19

Original release date:

2007-09-26

Authors:

Moehle, K.; Patora, K.; Robinson, J.

Citation:

Citation: Athanassiou, Z.; Patora, K.; Dias, R.; Moehle, K.; Robinson, J.; Varani, G.. "Structure-guided peptidomimetic design leads to nanomolar beta-hairpin inhibitors of the Tat-TAR interaction of bovine immunodeficiency virus" Biochemistry 46, 741-751 (2007).
PubMed: 17223695

Assembly members:

Assembly members:
L-22_CYCLIC_PEPTIDE, polymer, 14 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
L-22_CYCLIC_PEPTIDE: RVRTRKGRRIRIPP

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	103

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	L-22	1

Entities:

Entity 1, L-22 14 residues - Formula weight is not available

1

ARG

VAL

ARG

THR

ARG

LYS

GLY

ARG

ILE

2

ARG

ILE

PRO

Samples:

sample: L-22_CYCLIC_PEPTIDE, unlabeled, 5 mM; D2O 10%; H2O 90%

sample_conditions_1: pH: 2.3; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample	isotropic	sample_conditions_1
2D TOCSY	sample	isotropic	sample_conditions_1
DQF-COSY	sample	isotropic	sample_conditions_1

Software:

DYANA v1.5, P.GUNTERT ET AL. - refinement

xwinnmr v2.6, Bruker - processing

XEASY v1.53 - data analysis

DYANA v1.5, Guntert, P., Mumenthaler, C., Wuthrich, K. - structure solution

NMR spectrometers:

Bruker AVANCE 600 MHz