BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	30.6 % (156 of 510)	14.9 % (39 of 261)	38.5 % (79 of 205)	86.4 % (38 of 44)
Backbone	65.5 % (156 of 238)	47.6 % (39 of 82)	67.5 % (79 of 117)	97.4 % (38 of 39)
Sidechain	0.3 % (1 of 309)	0.0 % (0 of 179)	0.8 % (1 of 125)	0.0 % (0 of 5)
Aromatic	0.0 % (0 of 60)	0.0 % (0 of 30)	0.0 % (0 of 28)	0.0 % (0 of 2)
Methyl	0.0 % (0 of 74)	0.0 % (0 of 37)	0.0 % (0 of 37)

1. entity 1

NWLWYIRIFI IIVGSLIGLR IVFAVLSLVN RVRQGYSPLS

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 bar, Temperature 318 K, pH 6.5, Details 500 uM [U-100% 13C; U-100% 15N; U-100% 2H] HIV-1 GP41 Transmembrane domain, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 GP41 Transmembrane domain	[U-100% 13C; U-100% 15N; U-80% 2H]		500 uM
2	MES buffer	natural abundance		25 mM

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 bar, Temperature 318 K, pH 6.5, Details 100 uM [U-100% 15N; 80%-2H] HIV-1 GP41 Transmembrane domain, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
3	HIV-1 GP41 Transmembrane domain	[U-100% 15N; 80%-2H]		100 uM
4	MES buffer	natural abundance		25 mM

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 bar, Temperature 318 K, pH 6.5, Details 100 uM [U-100% 15N; 80%-2H] HIV-1 GP41 Transmembrane domain, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
5	HIV-1 GP41 Transmembrane domain	[U-100% 15N; 80%-2H]		100 uM
6	MES buffer	natural abundance		25 mM

Sample #4

Solvent system 93% H2O/7% D2O, Pressure 1 bar, Temperature 318 K, pH 6.5, Details 40 uM [U-100% 15N; U-80% 2H] HIV-1 GP41 Transmembrane domain, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
7	HIV-1 GP41 Transmembrane domain	[U-100% 15N; U-80% 2H]		40 uM
8	MES buffer	natural abundance		25 mM

Sample #5

Solvent system 93% H2O/7% D2O, Pressure 1 bar, Temperature 318 K, pH 6.5, Details 70 uM [U-100% 15N; U-80% 2H] HIV-1 GP41 Transmembrane domain, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
9	HIV-1 GP41 Transmembrane domain	[U-100% 15N; U-80% 2H]		70 uM
10	MES buffer	natural abundance		25 mM

Sample #6

Solvent system 93% H2O/7% D2O, Pressure 1 bar, Temperature 318 K, pH 6.5, Details 300 uM [U-100% 15N; U-80% 2H] HIV-1 GP41 Transmembrane domain, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
11	HIV-1 GP41 Transmembrane domain	[U-100% 15N; U-80% 2H]		300 uM
12	MES buffer	natural abundance		25 mM

Protein Blocks Logo

Calculated from 15 models in PDB: 6B3U, Strand ID: A Detail

Release date

2018-01-16

Citation

Tilted, Uninterrupted, Monomeric HIV-1 gp41 Transmembrane Helix from Residual Dipolar Couplings
Chiliveri, S.C., Louis, J.M., Ghirlando, R., Baber, J.L., Bax, A.
J. Am. Chem. Soc. (2018), 140, 34-37, PubMed 29277995 , DOI 10.1021/jacs.7b10245 , Abstract

Related entities 1. HIV-1 GP41 Transmembrane Domain, : 1 : 1 : 78 entities Detail

Interaction partners 1. HIV-1 GP41 Transmembrane Domain, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 10 experiments Detail

1 3D HNCO

Instrument

Bruker AvanceII - 900 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 bar, Temperature 318 K, pH 6.5, Details 500 uM [U-100% 13C; U-100% 15N; U-100% 2H] HIV-1 GP41 Transmembrane domain, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 GP41 Transmembrane domain	[U-100% 13C; U-100% 15N; U-80% 2H]		500 uM
2	MES buffer	natural abundance		25 mM

2 3D HNCA

Instrument

Bruker AvanceII - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 GP41 Transmembrane domain	[U-100% 13C; U-100% 15N; U-80% 2H]		500 uM
2	MES buffer	natural abundance		25 mM

3 3D 1H-15N NOESY

Instrument

Bruker AvanceII - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 GP41 Transmembrane domain	[U-100% 13C; U-100% 15N; U-80% 2H]		500 uM
2	MES buffer	natural abundance		25 mM

4 2D TROSY

Instrument

Bruker AvanceII - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 GP41 Transmembrane domain	[U-100% 13C; U-100% 15N; U-80% 2H]		500 uM
2	MES buffer	natural abundance		25 mM

5 2D ARTSY

Instrument

Bruker AvanceII - 900 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 GP41 Transmembrane domain	[U-100% 13C; U-100% 15N; U-80% 2H]		500 uM
2	MES buffer	natural abundance		25 mM

6 2D ARTSY

Instrument

Bruker AvanceII - 900 MHz

Sample

State anisotropic, Solvent system 93% H2O/7% D2O, Pressure 1 bar, Temperature 318 K, pH 6.5, Details 100 uM [U-100% 15N; 80%-2H] HIV-1 GP41 Transmembrane domain, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
3	HIV-1 GP41 Transmembrane domain	[U-100% 15N; 80%-2H]		100 uM
4	MES buffer	natural abundance		25 mM

7 2D ARTSY

Instrument

Bruker AvanceII - 900 MHz

Sample

State anisotropic, Solvent system 93% H2O/7% D2O, Pressure 1 bar, Temperature 318 K, pH 6.5, Details 100 uM [U-100% 15N; 80%-2H] HIV-1 GP41 Transmembrane domain, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
5	HIV-1 GP41 Transmembrane domain	[U-100% 15N; 80%-2H]		100 uM
6	MES buffer	natural abundance		25 mM

8 2D ARTSY

Instrument

Bruker AvanceIII - 800 MHz

Sample

State anisotropic, Solvent system 93% H2O/7% D2O, Pressure 1 bar, Temperature 318 K, pH 6.5, Details 40 uM [U-100% 15N; U-80% 2H] HIV-1 GP41 Transmembrane domain, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
7	HIV-1 GP41 Transmembrane domain	[U-100% 15N; U-80% 2H]		40 uM
8	MES buffer	natural abundance		25 mM

9 2D ARTSY

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 bar, Temperature 318 K, pH 6.5, Details 70 uM [U-100% 15N; U-80% 2H] HIV-1 GP41 Transmembrane domain, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
9	HIV-1 GP41 Transmembrane domain	[U-100% 15N; U-80% 2H]		70 uM
10	MES buffer	natural abundance		25 mM

10 2D TROSY

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 bar, Temperature 318 K, pH 6.5, Details 300 uM [U-100% 15N; U-80% 2H] HIV-1 GP41 Transmembrane domain, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
11	HIV-1 GP41 Transmembrane domain	[U-100% 15N; U-80% 2H]		300 uM
12	MES buffer	natural abundance		25 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Dihedral angle restraints, RDC restraints	combined_30349_6b3u.nef
Input source #2: Coordindates	6b3u.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

---680-----690-------700-------710------
NWLWYIRIFIIIVGSLIGLRIVFAVLSLVNRVRQGYSPLS
||||||||||||||||||||||||||||||||||||||||
NWLWYIRIFIIIVGSLIGLRIVFAVLSLVNRVRQGYSPLS
--------10--------20--------30--------40

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	40	0	0	100.0

Content subtype: combined_30349_6b3u.nef

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	153		100.0 (chain: A, length: 40)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	64 (64)	.	85.0 (chain: A, length: 40)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_3	OK	70 (70)	.	77.5 (chain: A, length: 40)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 40, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 77
  - ¹H chemical shifts: 38
  - ¹⁵N chemical shifts: 38
- Completeness of assignments
  - Entity_assemble_ID: A
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	205	77	37.6
¹H chemical shifts	261	38	14.6
¹⁵N chemical shifts	48	38	79.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	80	77	96.3
¹H chemical shifts	82	38	46.3
¹⁵N chemical shifts	39	38	97.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	125	0	0.0
¹H chemical shifts	179	0	0.0
¹⁵N chemical shifts	9	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	37	0	0.0
¹H chemical shifts	37	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	28	0	0.0
¹H chemical shifts	30	0	0.0
¹⁵N chemical shifts	2	0	0.0

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 40, Sequence coverage: 85.0%
- Total number of restraints: 64
- Total number of restraints per polymer type: 64
- Weight of restraints: 1.0 (64)
- Potential type of restraints: square-well-parabolic (64)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 40, Sequence coverage: 77.5%
- Total number of restraints: 70
- Potential type of restraints: undefined (70)
- Range of observed RDC values: 100.0, -100.0 (Hz)
- RDC restraints per residue
  - Chain_ID: A
    None

Keywords GP41, HIV-1, MEMBRANE PROTEIN, Transmembrane domain, residual dipolar couplings, solution structure

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Found 1 Document (0.625 seconds)

BMRB: 30349

Sample #1

Sample #2

Sample #3

Sample #4

Sample #5

Sample #6

Related entities 1. HIV-1 GP41 Transmembrane Domain, : 1 : 1 : 78 entities Detail

Interaction partners 1. HIV-1 GP41 Transmembrane Domain, : 1 interactors Detail

Experiments performed 10 experiments Detail

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NMR combined restraints 4 contents Detail