BMRB Entry 17436

Name: Structure of the HIV-1 frameshift site RNA bound to a small molecule inhibitor of viral replication
Published: 2011-06-16

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PDB ID: 2l94
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17436
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Structure of the HIV-1 frameshift site RNA bound to a small molecule inhibitor of viral replication

Deposition date:

2011-01-29

Original release date:

2011-06-16

Authors:

Marcheschi, Ryan; Tonelli, Marco; Kumar, Arvind; Butcher, Samuel

Citation:

Citation: Marcheschi, Ryan; Tonelli, Marco; Kumar, Arvind; Butcher, Samuel. "Structure of the HIV-1 frameshift site RNA bound to a small molecule inhibitor of viral replication." ACS Chem. Biol. 6, 857-864 (2011).
PubMed: 21648432

Assembly members:

Assembly members:
RNA_(45-MER), polymer, 45 residues, 14519.805 Da.
L94, non-polymer, 336.519 Da.

Natural source:

Natural source: Common Name: Human immunodeficiency virus Taxonomy ID: 12721 Superkingdom: not available Kingdom: virus Genus/species: Lentivirus not available

Experimental source:

Experimental source: Production method: in vitro transcription Host organism: E. coli - cell free

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RNA_(45-MER): GGGAAGAUCUGGCCUUCCCA CAAGGGAAGGCCAGGGAAUC UUCCC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	76
1H chemical shifts	363

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RNA (45-MER)	1
2	DB	2

Entities:

Entity 1, RNA (45-MER) 45 residues - 14519.805 Da.

1

G

A

G

A

U

C

U

2

G

C

U

C

A

3

C

A

G

A

G

4

C

A

G

A

U

C

5

U

C

Entity 2, DB - C18 H36 N6 - 336.519 Da.

1

L94

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	750_uM_RNA:DB213_H2O	isotropic	H2O_samples
2D 1H-1H NOESY	750_uM_RNA:DB213_D2O	isotropic	D2O_samples
2D 1H-1H TOCSY	750_uM_RNA:DB213_D2O	isotropic	D2O_samples
2D 1H-13C HSQC	1.5_mM_RNA:DB213_D2O	isotropic	D2O_samples
2D 1H-13C HSQC	1.5_mM_RNA:DB213_Pf1_D2O	anisotropic	D2O_samples

BMRB Entry 17436

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers: