BMRBj - BMREntryMaster

Found 1 Document (0.552 seconds)

BMRB: 17584

2LMA

1H 13C 15N resonance assignment of CD4+ T cell-derived peptide Thp5

Authors

PANDEY, N.K., BHAVESH, N.S., DAS, G.

Assembly

Thp5

Entity

1. Thp5 (polymer, Thiol state: not present), 22 monomers, 2692.003 Da Detail

WRPYLQTEYY DVMTVISPPE FG

Formula weight

2692.003 Da

Source organism

Exptl. method

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 86.4 %, Completeness: 63.0 %, Completeness (bb): 69.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	63.0 % (174 of 276)	66.4 % (95 of 143)	53.6 % (60 of 112)	90.5 % (19 of 21)
Backbone	69.8 % (88 of 126)	88.1 % (37 of 42)	50.8 % (33 of 65)	94.7 % (18 of 19)
Sidechain	59.1 % (101 of 171)	57.4 % (58 of 101)	61.8 % (42 of 68)	50.0 % (1 of 2)
Aromatic	56.5 % (26 of 46)	65.2 % (15 of 23)	45.5 % (10 of 22)	100.0 % (1 of 1)
Methyl	90.0 % (18 of 20)	90.0 % (9 of 10)	90.0 % (9 of 10)

1. Thp5

WRPYLQTEYY DVMTVISPPE FG

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	Thp5	natural abundance		800 uM
2	sodium chloride	natural abundance		150 mM
3	sodium phosphate	natural abundance		50 mM
4	D2O	[U-100% 2H]		5 %
5	H2O	natural abundance		95 %

Protein Blocks Logo

Calculated from 40 models in PDB: 2LMA, Strand ID: A Detail

Release date

2011-12-01

Citation

CD4+ T cell-derived novel peptide Thp5 induces interleukin-4 production in CD4+ T cells to direct T helper 2 cell differentiation
Khan, M., Chatterjee, S., Dwivedi, V., Pandey, N., Singh, Y., Tousif, S., Bhavesh, N., Van Kaer, L., Das, J., Das, G.
J. Biol. Chem. (2012), 287, 2830-2835, PubMed 22130674 , DOI 10.1074/jbc.M111.319947 , Abstract

Related entities 1. Thp5, : 1 : 2 entities Detail

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	Thp5	natural abundance		800 uM
2	sodium chloride	natural abundance		150 mM
3	sodium phosphate	natural abundance		50 mM
4	D2O	[U-100% 2H]		5 %
5	H2O	natural abundance		95 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	Thp5	natural abundance		800 uM
2	sodium chloride	natural abundance		150 mM
3	sodium phosphate	natural abundance		50 mM
4	D2O	[U-100% 2H]		5 %
5	H2O	natural abundance		95 %

3 2D 1H-13C HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	Thp5	natural abundance		800 uM
2	sodium chloride	natural abundance		150 mM
3	sodium phosphate	natural abundance		50 mM
4	D2O	[U-100% 2H]		5 %
5	H2O	natural abundance		95 %

4 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	Thp5	natural abundance		800 uM
2	sodium chloride	natural abundance		150 mM
3	sodium phosphate	natural abundance		50 mM
4	D2O	[U-100% 2H]		5 %
5	H2O	natural abundance		95 %

5 2D 1H-1H NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	Thp5	natural abundance		800 uM
2	sodium chloride	natural abundance		150 mM
3	sodium phosphate	natural abundance		50 mM
4	D2O	[U-100% 2H]		5 %
5	H2O	natural abundance		95 %

6 2D 1H-1H NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	Thp5	natural abundance		800 uM
2	sodium chloride	natural abundance		150 mM
3	sodium phosphate	natural abundance		50 mM
4	D2O	[U-100% 2H]		5 %
5	H2O	natural abundance		95 %

7 2D 1H-1H TOCSY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	Thp5	natural abundance		800 uM
2	sodium chloride	natural abundance		150 mM
3	sodium phosphate	natural abundance		50 mM
4	D2O	[U-100% 2H]		5 %
5	H2O	natural abundance		95 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_17584_2lma.nef
Input source #2: Coordindates	2lma.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--
WRPYLQTEYYDVMTVISPPEFG
||||||||||||||||||||||
WRPYLQTEYYDVMTVISPPEFG

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	22	0	0	100.0

Content subtype: combined_17584_2lma.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	166		86.4 (chain: A, length: 22)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	384 (1)	noe	100.0 (chain: A, length: 22)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 22, Sequence coverage: 86.4%
- Total number of assignments
  - ¹H chemical shifts: 89
  - ¹³C chemical shifts: 58
  - ¹⁵N chemical shifts: 19
- 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

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 22, Sequence coverage: 100.0%
- Total number of restraints: 381
- Weight of restraints: 1.0 (381)
- Potential type of restraints: upper-bound-parabolic (381)
- Range of distance target values: 2.5, 5.5 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map