BMRB: 30510

Solution structure of HIV-1 TAR with Tat RNA Binding Domain

Authors

Pham, V.V., D'Souza, V.M.

Assembly

Protein Tat/RNA Complex

Entity

1. Protein Tat/RNA Complex, entity 1 (polymer, Thiol state: not present), 30 monomers, 9715.731 Da Detail

GGGCAGAUUG AGCCUGGGAG CUCUCUGCCC

2. Protein Tat/RNA Complex, entity 2 (polymer, Thiol state: not present), 17 monomers, 2153.460 Da Detail

GISYGRKKRR QRRRAHQ

Total weight

11869.191 Da

Max. entity weight

9715.731 Da

Source organism

Human immunodeficiency virus 1 , HIV-1 M:B_HXB2R

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 61.5 %, Completeness (bb): 52.8 % Detail

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Polymer type: polyribonucleotide polypeptide(L)

	Total	1H	13C	15N
All	61.5 % (431 of 701)	77.1 % (299 of 388)	43.3 % (120 of 277)	33.3 % (12 of 36)
Backbone	52.8 % (228 of 432)	69.0 % (149 of 216)	39.2 % (78 of 199)	5.9 % (1 of 17)
Sidechain	75.0 % (213 of 284)	87.2 % (150 of 172)	55.9 % (52 of 93)	57.9 % (11 of 19)
Aromatic	69.4 % (100 of 144)	91.7 % (66 of 72)	41.8 % (23 of 55)	64.7 % (11 of 17)
Methyl	50.0 % (3 of 6)	66.7 % (2 of 3)	33.3 % (1 of 3)

1. entity 1

GGGCAGAUUG AGCCUGGGAG CUCUCUGCCC

2. entity 2

GISYGRKKRR QRRRAHQ

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 100000 Pa, Temperature 298 K, pH 5.4, Details 0.5 mM TAR RNA with deuterated NTPs in a combo of either AC, GU, or GA, 0.5 mM Tat RNA Binding Domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	TAR RNA	natural abundance		0.5 (±0.1) mM
2	Tat RNA Binding Domain	natural abundance		0.5 (±0.1) mM
3	NaCl	natural abundance		10 mM
4	NaCl	natural abundance		70 mM
5	EDTA	natural abundance		0.1 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 100000 Pa, Temperature 298 K, pH 5.4, Details 0.5 mM [U-13C; U-15N] TAR RNA, 0.5 mM Tat RNA Binding Domain, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
6	TAR RNA	[U-13C; U-15N]		0.5 (±0.1) mM
7	Tat RNA Binding Domain	natural abundance		0.5 (±0.1) mM
8	NaCl	natural abundance		10 mM
9	NaCl	natural abundance		70 mM
10	EDTA	natural abundance		0.1 mM

Sample #3

Solvent system 100% D2O, Pressure 100000 Pa, Temperature 298 K, pH 5.4, Details 0.5 mM TAR RNA deuterated NTPs in a combo of either AC, GU, or GA, 0.5 mM Tat RNA Binding Domain, 100% D2O

#	Name	Isotope labeling	Type	Concentration
11	TAR RNA	natural abundance		0.5 (±0.1) mM
12	Tat RNA Binding Domain	natural abundance		0.5 (±0.1) mM
13	NaCl	natural abundance		10 mM
14	NaCl	natural abundance		70 mM
15	EDTA	natural abundance		0.1 mM

Sample #4

Solvent system 100% D2O, Pressure 100000 Pa, Temperature 298 K, pH 5.4, Details 0.5 mM TAR RNA, 0.5 mM [U-13C; U-15N] Tat RNA Binding Domain selectively labeled in each of the peptides: 1) R49, K50, R57, A58 2) K51, R52, Q54,R55 3) R53, Q54, R56, 100% D2O

#	Name	Isotope labeling	Type	Concentration
16	TAR RNA	natural abundance		0.5 (±0.1) mM
17	Tat RNA Binding Domain	[U-13C; U-15N]		0.5 (±0.1) mM
18	NaCl	natural abundance		10 mM
19	NaCl	natural abundance		70 mM
20	EDTA	natural abundance		0.1 mM

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Release date

2018-09-09

Citation

HIV-1 Tat interactions with cellular 7SK and viral TAR RNAs identifies dual structural mimicry
Pham, V.V., Salguero, C., Khan, S.N., Meagher, J., Brown, W., Humbert, N., de Rocquigny, H., Smith, J., D'Souza, V.M.
Nat. Commun. (2018), 9, 4266-4266, PubMed 30323330 , DOI 10.1038/s41467-018-06591-6 , Abstract

Entries sharing articles BMRB: 2 entries Detail

Related entities 1. Protein Tat/RNA Complex, entity 1, : 1 : 2 : 25 entities Detail

Related entities 2. Protein Tat/RNA Complex, entity 2, : 1 : 5 : 6 : 4 entities Detail

Interaction partners 2. Protein Tat/RNA Complex, entity 2, : 20 interactors Detail

Experiments performed 5 experiments Detail