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BMRB: 16555

7ASL

1H, 15N and 13C assignments of the dimeric C-terminal domain of HIV-1 capsid protein

Authors

Jung, J., Byeon, I.L., Ahn, J., Concel, J., Gronenborn, A.M.

Assembly

CA-CTD dimer

Entity

1. CA-CTD dimer (polymer, Thiol state: all free), 88 monomers, 9827.213 × 2 Da Detail

MYSPTSILDI RQGPKEPFRD YVDRFYKTLR AEQASQEVKN WMTETLLVQN ANPDCKTILK ALGPAATLEE MMTACQGVGG PGHKARVL

Total weight

19654.426 Da

Max. entity weight

9827.213 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 83.6 %, Completeness (bb): 82.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.6 % (854 of 1022)	89.2 % (477 of 535)	73.0 % (289 of 396)	96.7 % (88 of 91)
Backbone	82.8 % (427 of 516)	96.0 % (169 of 176)	69.4 % (179 of 258)	96.3 % (79 of 82)
Sidechain	86.2 % (507 of 588)	85.8 % (308 of 359)	86.4 % (190 of 220)	100.0 % (9 of 9)
Aromatic	65.0 % (39 of 60)	66.7 % (20 of 30)	62.1 % (18 of 29)	100.0 % (1 of 1)
Methyl	95.7 % (90 of 94)	95.7 % (45 of 47)	95.7 % (45 of 47)

1. HIV-1 Capsid Protein

MYSPTSILDI RQGPKEPFRD YVDRFYKTLR AEQASQEVKN WMTETLLVQN ANPDCKTILK ALGPAATLEE MMTACQGVGG PGHKARVL

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 CA-CTD	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		93 %
3	D2O	natural abundance		7 %
4	sodium phosphate	natural abundance		25 mM
5	sodium azide	natural abundance		0.02 %
6	DTT	natural abundance		2 mM

LACS Plot; CA

Referencing offset: 0.06 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.06 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.05 ppm, Outliers: 1 Detail

Release date

2009-11-29

Citation

1H, 15N and 13C assignments of the dimeric C-terminal domain of HIV-1 capsid protein
Jung, J., Byeon, I.L., Ahn, J., Concel, J., Gronenborn, A.M.
Biomol. NMR Assign. (2010), 4, 21-23, PubMed 19921549 , DOI 10.1007/s12104-009-9198-9 , Abstract

Related entities 1. CA-CTD dimer, : 1 : 24 : 8 : 93 : 81 entities Detail

Interaction partners 1. CA-CTD dimer, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 CA-CTD	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		93 %
3	D2O	natural abundance		7 %
4	sodium phosphate	natural abundance		25 mM
5	sodium azide	natural abundance		0.02 %
6	DTT	natural abundance		2 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 CA-CTD	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		93 %
3	D2O	natural abundance		7 %
4	sodium phosphate	natural abundance		25 mM
5	sodium azide	natural abundance		0.02 %
6	DTT	natural abundance		2 mM

3 3D HNCACB

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 CA-CTD	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		93 %
3	D2O	natural abundance		7 %
4	sodium phosphate	natural abundance		25 mM
5	sodium azide	natural abundance		0.02 %
6	DTT	natural abundance		2 mM

4 3D HN(CO)CACB

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 CA-CTD	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		93 %
3	D2O	natural abundance		7 %
4	sodium phosphate	natural abundance		25 mM
5	sodium azide	natural abundance		0.02 %
6	DTT	natural abundance		2 mM

5 3D HNCA

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 CA-CTD	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		93 %
3	D2O	natural abundance		7 %
4	sodium phosphate	natural abundance		25 mM
5	sodium azide	natural abundance		0.02 %
6	DTT	natural abundance		2 mM

6 3D HN(CO)CA

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 CA-CTD	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		93 %
3	D2O	natural abundance		7 %
4	sodium phosphate	natural abundance		25 mM
5	sodium azide	natural abundance		0.02 %
6	DTT	natural abundance		2 mM

7 3D HBHA(CO)NH

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 CA-CTD	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		93 %
3	D2O	natural abundance		7 %
4	sodium phosphate	natural abundance		25 mM
5	sodium azide	natural abundance		0.02 %
6	DTT	natural abundance		2 mM

8 3D HCCH-TOCSY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 CA-CTD	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		93 %
3	D2O	natural abundance		7 %
4	sodium phosphate	natural abundance		25 mM
5	sodium azide	natural abundance		0.02 %
6	DTT	natural abundance		2 mM

9 3D simultaneous 13C,15N-edited NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 CA-CTD	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		93 %
3	D2O	natural abundance		7 %
4	sodium phosphate	natural abundance		25 mM
5	sodium azide	natural abundance		0.02 %
6	DTT	natural abundance		2 mM

10 3D 13C-edited NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 CA-CTD	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		93 %
3	D2O	natural abundance		7 %
4	sodium phosphate	natural abundance		25 mM
5	sodium azide	natural abundance		0.02 %
6	DTT	natural abundance		2 mM

11 2D NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 CA-CTD	[U-100% 13C; U-100% 15N]		2 mM
2	H2O	natural abundance		93 %
3	D2O	natural abundance		7 %
4	sodium phosphate	natural abundance		25 mM
5	sodium azide	natural abundance		0.02 %
6	DTT	natural abundance		2 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16555_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr16555_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	931		98.9 (chain: 1, length: 88)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 88, Sequence coverage: 98.9%
- Total number of assignments
  - ¹H chemical shifts: 568
  - ¹³C chemical shifts: 272
  - ¹⁵N chemical shifts: 91
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords CA, capsid protein, CTD, C-terminal domain, HIV-1