BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	58.3 % (325 of 557)	44.4 % (127 of 286)	69.9 % (153 of 219)	86.5 % (45 of 52)
Backbone	86.2 % (238 of 276)	68.1 % (64 of 94)	94.9 % (129 of 136)	97.8 % (45 of 46)
Sidechain	40.0 % (130 of 325)	33.3 % (64 of 192)	52.0 % (66 of 127)	0.0 % (0 of 6)
Aromatic	0.0 % (0 of 42)	0.0 % (0 of 21)	0.0 % (0 of 20)	0.0 % (0 of 1)
Methyl	75.0 % (51 of 68)	91.2 % (31 of 34)	58.8 % (20 of 34)

1. entity 1

DATLTEKSFE TDMNLNFQNL SVMGLRILLL KVAGFNLLMT LRLWSS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 2 mM U-15N; U-2H; Ile, Leu, Val selective labeling TCRa, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	TCRa_NOE	[U-15N; U-2H; Ile, Leu, Val selective labeling]	2 mM
2	Tris	natural abundance	30 mM
3	16:0 Lyso PG	natural abundance	100 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-99% 13C; U-99% 15N] TCRa, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	TCRa_backbone	[U-99% 13C; U-99% 15N]	1 mM
5	Tris	natural abundance	30 mM
6	16:0 Lyso PG	natural abundance	100 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 0.5 mM [U-99% 15N] TCRa, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	TCRa_HSQC	[U-99% 15N]	0.5 mM
8	Tris	natural abundance	30 mM
9	16:0 Lyso PG	natural abundance	100 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.78 ppm	internal	indirect	0.25
¹H	water	protons	4.78 ppm	internal	direct	1.0
¹⁵N	water	protons	4.78 ppm	internal	indirect	0.0

Referencing offset: 0.44 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.78 ppm	internal	indirect	0.25
¹H	water	protons	4.78 ppm	internal	direct	1.0
¹⁵N	water	protons	4.78 ppm	internal	indirect	0.0

Referencing offset: 0.44 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.78 ppm	internal	indirect	0.25
¹H	water	protons	4.78 ppm	internal	direct	1.0
¹⁵N	water	protons	4.78 ppm	internal	indirect	0.0

Referencing offset: 0.01 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 6MF8, Strand ID: A Detail

Release date

2018-12-02

Citation

The T Cell Antigen Receptor α Transmembrane Domain Coordinates Triggering through Regulation of Bilayer Immersion and CD3 Subunit Associations
Brazin, K.N., Mallis, R.J., Boeszoermenyi, A., Feng, Y., Yoshizawa, A., Reche, P.A., Kaur, P., Bi, K., Hussey, R.E., Duke-Cohan, J.S., Song, L., Wagner, G., Arthanari, H., Lang, M.J., Reinherz, E.L.
Immunity (2018), 49, 829-841, PubMed 30389415 , DOI 10.1016/j.immuni.2018.09.007 , Abstract

Related entities 1. T-cell receptor alpha chain C region, : 2 : 1 : 7 entities Detail

Interaction partners 1. T-cell receptor alpha chain C region, : 3 interactors Detail

More details for 3 interactors identified by 1 citations

Experiments performed 6 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 0.5 mM [U-99% 15N] TCRa, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	TCRa_HSQC	[U-99% 15N]	0.5 mM
8	Tris	natural abundance	30 mM
9	16:0 Lyso PG	natural abundance	100 mM

2 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-99% 13C; U-99% 15N] TCRa, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	TCRa_backbone	[U-99% 13C; U-99% 15N]	1 mM
5	Tris	natural abundance	30 mM
6	16:0 Lyso PG	natural abundance	100 mM

3 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-99% 13C; U-99% 15N] TCRa, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	TCRa_backbone	[U-99% 13C; U-99% 15N]	1 mM
5	Tris	natural abundance	30 mM
6	16:0 Lyso PG	natural abundance	100 mM

4 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-99% 13C; U-99% 15N] TCRa, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	TCRa_backbone	[U-99% 13C; U-99% 15N]	1 mM
5	Tris	natural abundance	30 mM
6	16:0 Lyso PG	natural abundance	100 mM

5 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 1 mM [U-99% 13C; U-99% 15N] TCRa, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	TCRa_backbone	[U-99% 13C; U-99% 15N]	1 mM
5	Tris	natural abundance	30 mM
6	16:0 Lyso PG	natural abundance	100 mM

6 3D NOESY

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.0, Details 2 mM U-15N; U-2H; Ile, Leu, Val selective labeling TCRa, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	TCRa_NOE	[U-15N; U-2H; Ile, Leu, Val selective labeling]	2 mM
2	Tris	natural abundance	30 mM
3	16:0 Lyso PG	natural abundance	100 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_30513_6mf8.nef
Input source #2: Coordindates	6mf8.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

--------10--------20--------30--------40------
DATLTEKSFETDMNLNFQNLSVMGLRILLLKVAGFNLLMTLRLWSS
||||||||||||||||||||||||||||||||||||||||||||||
DATLTEKSFETDMNLNFQNLSVMGLRILLLKVAGFNLLMTLRLWSS

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	46	0	0	100.0

Content subtype: combined_30513_6mf8.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	319		97.8 (chain: A, length: 46)
1	Distance restraints	DYANA/DIANA_distance_constraints_3	Warning	109 (1)	noe	78.3 (chain: A, length: 46)
2	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	26 (1)	hbond	37.0 (chain: A, length: 46)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 46, Sequence coverage: 97.8%
- Total number of assignments
  - ¹H chemical shifts: 123
  - ¹³C chemical shifts: 151
  - ¹⁵N chemical shifts: 45
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	286	119	41.6
¹³C chemical shifts	219	151	68.9
¹⁵N chemical shifts	54	45	83.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	94	60	63.8
¹³C chemical shifts	92	87	94.6
¹⁵N chemical shifts	46	45	97.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	192	59	30.7
¹³C chemical shifts	127	64	50.4
¹⁵N chemical shifts	8	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	37	31	83.8
¹³C chemical shifts	37	19	51.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	0	0.0
¹³C chemical shifts	20	0	0.0
¹⁵N chemical shifts	1	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_3
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 46, Sequence coverage: 78.3%
- Total number of restraints: 109
- Weight of restraints: 1.0 (109)
- Potential type of restraints: upper-bound-parabolic (109)
- Range of distance target values: 2.74, 8.0 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: DYANA/DIANA_distance_constraints_2
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 46, Sequence coverage: 37.0%
  - Total number of restraints: 26
  - Weight of restraints: 1.0 (26)
  - Potential type of restraints: upper-bound-parabolic (26)
  - Range of distance target values: 2.4, 3.1 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Keywords IMMUNE SYSTEM, TCR, mechanoreceptor, transmembrane

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Found 1 Document (0.626 seconds)

BMRB: 30513

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. T-cell receptor alpha chain C region, : 2 : 1 : 7 entities Detail

Interaction partners 1. T-cell receptor alpha chain C region, : 3 interactors Detail

Experiments performed 6 experiments Detail

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Sample

Instrument

Sample

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Sample

Instrument

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Sample

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Sample

NMR combined restraints 4 contents Detail