BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	62.5 % (380 of 608)	57.6 % (193 of 335)	71.3 % (176 of 247)	42.3 % (11 of 26)
Backbone	63.2 % (242 of 383)	59.2 % (116 of 196)	71.2 % (126 of 177)	0.0 % (0 of 10)
Sidechain	59.1 % (139 of 235)	55.4 % (77 of 139)	63.7 % (51 of 80)	68.8 % (11 of 16)
Aromatic	92.2 % (118 of 128)	92.2 % (59 of 64)	100.0 % (48 of 48)	68.8 % (11 of 16)
Methyl	0.0 % (0 of 14)	0.0 % (0 of 7)	0.0 % (0 of 7)

1. entity 1

XVRTRKGRRI XIXP

2. entity 2

GGCAGAUCUG AGCCUGGGAG CUCUCUGCC

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 277 K, pH 6.5, Details 1.7 mM DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO, 1.2 mM RNA (29-MER), 0.01 mM EDTA, 20 mM potassium phosphate, 10 mM sodium chloride, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO	natural abundance	1.7 mM
2	RNA (29-MER)	natural abundance	1.2 mM
3	EDTA	natural abundance	0.01 mM
4	potassium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	10 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 277 K, pH 6.5, Details 1.7 mM DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO, 1.2 mM RNA (29-MER), 0.01 mM EDTA, 20 mM potassium phosphate, 10 mM sodium chloride, 100% D2O

#	Name	Isotope labeling	Concentration
6	DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO	natural abundance	1.7 mM
7	RNA (29-MER)	natural abundance	1.2 mM
8	EDTA	natural abundance	0.01 mM
9	potassium phosphate	natural abundance	20 mM
10	sodium chloride	natural abundance	10 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 277 K, pH 6.5, Details 1.5 mM DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO, 1.0 mM [U-99% 13C; U-99% 15N] RNA (29-MER), 0.01 mM EDTA, 20 mM potassium phosphate, 10 mM sodium chloride, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
11	DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO	natural abundance	1.5 mM
12	RNA (29-MER)	[U-99% 13C; U-99% 15N]	1.0 mM
13	EDTA	natural abundance	0.01 mM
14	potassium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	10 mM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 277 K, pH 6.5, Details 1.5 mM DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO, 1.0 mM [U-99% 13C; U-99% 15N] RNA (29-MER), 0.01 mM EDTA, 20 mM potassium phosphate, 10 mM sodium chloride, 100% D2O

#	Name	Isotope labeling	Concentration
16	DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO	natural abundance	1.5 mM
17	RNA (29-MER)	[U-99% 13C; U-99% 15N]	1.0 mM
18	EDTA	natural abundance	0.01 mM
19	potassium phosphate	natural abundance	20 mM
20	sodium chloride	natural abundance	10 mM

Chem. Shift Complete2

Sequence coverage: 25.6 %, Completeness: 36.8 %, Completeness (bb): 34.5 % Detail

Polymer type: polypeptide(L) polyribonucleotide

	Total	¹H	¹³C	¹⁵N
All	36.8 % (448 of 1216)	39.0 % (261 of 670)	35.6 % (176 of 494)	21.2 % (11 of 52)
Backbone	34.5 % (264 of 766)	35.2 % (138 of 392)	35.6 % (126 of 354)	0.0 % (0 of 20)
Sidechain	39.4 % (185 of 470)	44.2 % (123 of 278)	31.9 % (51 of 160)	34.4 % (11 of 32)
Aromatic	46.1 % (118 of 256)	46.1 % (59 of 128)	50.0 % (48 of 96)	34.4 % (11 of 32)
Methyl	21.4 % (6 of 28)	42.9 % (6 of 14)	0.0 % (0 of 14)

1. entity 1

XVRTRKGRRI XIXP

2. entity 2

GGCAGAUCUG AGCCUGGGAG CUCUCUGCC

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5, Details 1.7 mM DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO, 1.2 mM RNA (29-MER), 0.01 mM EDTA, 20 mM potassium phosphate, 10 mM sodium chloride, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO	natural abundance	1.7 mM
2	RNA (29-MER)	natural abundance	1.2 mM
3	EDTA	natural abundance	0.01 mM
4	potassium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	10 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5, Details 1.7 mM DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO, 1.2 mM RNA (29-MER), 0.01 mM EDTA, 20 mM potassium phosphate, 10 mM sodium chloride, 100% D2O

#	Name	Isotope labeling	Concentration
6	DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO	natural abundance	1.7 mM
7	RNA (29-MER)	natural abundance	1.2 mM
8	EDTA	natural abundance	0.01 mM
9	potassium phosphate	natural abundance	20 mM
10	sodium chloride	natural abundance	10 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5, Details 1.5 mM DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO, 1.0 mM [U-99% 13C; U-99% 15N] RNA (29-MER), 0.01 mM EDTA, 20 mM potassium phosphate, 10 mM sodium chloride, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
11	DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO	natural abundance	1.5 mM
12	RNA (29-MER)	[U-99% 13C; U-99% 15N]	1.0 mM
13	EDTA	natural abundance	0.01 mM
14	potassium phosphate	natural abundance	20 mM
15	sodium chloride	natural abundance	10 mM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.5, Details 1.5 mM DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO, 1.0 mM [U-99% 13C; U-99% 15N] RNA (29-MER), 0.01 mM EDTA, 20 mM potassium phosphate, 10 mM sodium chloride, 100% D2O

#	Name	Isotope labeling	Concentration
16	DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO	natural abundance	1.5 mM
17	RNA (29-MER)	[U-99% 13C; U-99% 15N]	1.0 mM
18	EDTA	natural abundance	0.01 mM
19	potassium phosphate	natural abundance	20 mM
20	sodium chloride	natural abundance	10 mM

Protein Blocks Logo

Calculated from 10 models in PDB: 6D2U, Strand ID: A Detail

Release date

2018-08-30

Citation

An ultra-high affinity ligand of HIV-1 TAR reveals the RNA structure recognized by P-TEFb
Shortridge, M.D., Wille, P.T., Jones, A.J., Davidson, A., Bogdanovic, J., Arts, E., Karn, J., Robinson, J.A., Varani, G.
Nucleic Acids Res. (2018), 47, 1523-1531, PubMed 30481318 , DOI 10.1093/nar/gky1197 , Abstract

Related entities 1. DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO/RNA Complex, entity 1, : 1 : 4 : 1 entities Detail