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BMRB: 25935

2NAE

Membrane-bound mouse CD28 cytoplasmic tail

Authors

Li, H., Xu, C., Pan, W.

Assembly

Membrane-bound mouse CD28 cytoplasmic tail

Entity

1. Membrane-bound mouse CD28 cytoplasmic tail (polymer, Thiol state: not present), 43 monomers, 5084.717 Da Detail

GTNSRRNRLL QSDYMNMTPR RPGLTRKPYQ PYAPARDFAA YRP

Formula weight

5084.717 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.5 %, Completeness (bb): 94.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.5 % (506 of 519)	99.3 % (278 of 280)	95.4 % (188 of 197)	95.2 % (40 of 42)
Backbone	94.7 % (233 of 246)	97.6 % (80 of 82)	92.9 % (118 of 127)	94.6 % (35 of 37)
Sidechain	100.0 % (314 of 314)	100.0 % (198 of 198)	100.0 % (111 of 111)	100.0 % (5 of 5)
Aromatic	100.0 % (42 of 42)	100.0 % (21 of 21)	100.0 % (21 of 21)
Methyl	100.0 % (26 of 26)	100.0 % (13 of 13)	100.0 % (13 of 13)

1. entity

GTNSRRNRLL QSDYMNMTPR RPGLTRKPYQ PYAPARDFAA YRP

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

LACS Plot; CA

Referencing offset: -0.05 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.05 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: 0.07 ppm, Outliers: 3 Detail

LACS Plot; CO

Referencing offset: 0.6 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2NAE, Strand ID: A Detail

Release date

2016-01-12

Citation

Membrane-bound mouse CD28 cytoplasmic tail
Li, H., Xu, C., Pan, W.

Related entities 1. Membrane-bound mouse CD28 cytoplasmic tail, : 4 : 6 entities Detail

Interaction partners 1. Membrane-bound mouse CD28 cytoplasmic tail, : 3 interactors Detail

More details for 3 interactors identified by 3 citations

Experiments performed 14 experiments Detail

1 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

2 3D 1H-13C NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

3 3D 1H-15N NOESY (NOEs to lipid)

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

4 3D 1H-13C NOESY (methyl; double 13C-filter)

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

5 2D 1H-13C NOESY (aromatic; double 13C-filter)

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

6 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

7 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

8 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

9 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

10 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

11 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

12 3D C(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

13 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

14 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.7

#	Name	Isotope labeling	Type	Concentration
1	mCD28CD	[U-13C; U-15N]		0.5 mM
2	POPG	natural abundance		100 mM
3	DHPC	natural abundance		125 mM
4	sodium phosphate	natural abundance		20 mM
5	D2O	[U-2H]		10 %
6	H2O	natural abundance		90 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_25935_2nae.nef
Input source #2: Coordindates	2nae.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---
GTNSRRNRLLQSDYMNMTPRRPGLTRKPYQPYAPARDFAAYRP
|||||||||||||||||||||||||||||||||||||||||||
GTNSRRNRLLQSDYMNMTPRRPGLTRKPYQPYAPARDFAAYRP

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	43	0	0	100.0

Content subtype: combined_25935_2nae.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	514		100.0 (chain: A, length: 43)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	307 (1)	noe	97.7 (chain: A, length: 43)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 43, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 278
  - ¹³C chemical shifts: 188
  - ¹⁵N chemical shifts: 48
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- 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

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 43, Sequence coverage: 97.7%
- Total number of restraints: 306
- Weight of restraints: 1.0 (306)
- Potential type of restraints: lower-bound-parabolic (1), square-well-parabolic (305)
- Range of distance target values: 2.6, 5.5 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Keywords CD28, TCR, bicelle, costimulation, membrane bound protein