BMRBj - BMREntryMaster

Found 1 Document (1.573 seconds)

BMRB: 50114

6YEL

Resonance assignment of human STIM1 CC1 fragment

Authors

Rathner, P., Cerofolini, L., Ravera, E., Luchinat, C., Romanin, C., Mueller, N.

Assembly

STIM1 CC1 wild-type

Entity

1. STIM1 CC1 wild-type (polymer, Thiol state: not present), 115 monomers, 13891.33 Da Detail

GSPEFNRYSK EHMKKMMKDL EGLHRAEQSL HDLQERLHKA QEEHRTVEVE KVHLEKKLRD EINLAKQEAQ RLKELREGTE NERSRQKYAE EELEQVREAL RKAEKELESH SSWYA

Formula weight

13891.33 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 80.0 %, Completeness: 63.9 %, Completeness (bb): 77.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	63.9 % (910 of 1425)	61.9 % (470 of 759)	65.1 % (345 of 530)	69.9 % (95 of 136)
Backbone	77.9 % (536 of 688)	76.3 % (177 of 232)	78.7 % (269 of 342)	78.9 % (90 of 114)
Sidechain	54.7 % (464 of 849)	55.8 % (294 of 527)	55.0 % (165 of 300)	22.7 % (5 of 22)
Aromatic	10.8 % (8 of 74)	18.9 % (7 of 37)	0.0 % (0 of 36)	100.0 % (1 of 1)
Methyl	58.7 % (54 of 92)	65.2 % (30 of 46)	52.2 % (24 of 46)

1. entity 1

GSPEFNRYSK EHMKKMMKDL EGLHRAEQSL HDLQERLHKA QEEHRTVEVE KVHLEKKLRD EINLAKQEAQ RLKELREGTE NERSRQKYAE EELEQVREAL RKAEKELESH SSWYA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

Release date

2019-12-03

Citation

Interhelical interactions within the STIM1 CC1 domain modulate CRAC channel activation
Rathner, P., Fahrner, M., Cerofolini, L., Grabmayr, H., Horvath, F., Krobath, H., Gupta, A., Ravera, E., Fragai, M., Bechmann, M., Renger, T., Luchinat, C., Romanin, C., Muller, N.
Nat. Chem. Biol. (2021), 17, 196-204, PubMed 33106661 , DOI 10.1038/s41589-020-00672-8 , Abstract

Related entities 1. STIM1 CC1 wild-type, : 1 : 7 : 14 entities Detail

Interaction partners 1. STIM1 CC1 wild-type, : 3 interactors Detail

More details for 3 interactors identified by 2 citations

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz Bruker Avance III 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 700 MHz Bruker Avance III 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

3 3D HNCO

Instrument

Bruker Avance - 700 MHz Bruker Avance III 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

4 3D HNCO

Instrument

Bruker Avance - 700 MHz Bruker Avance III 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

5 3D HNCA

Instrument

Bruker Avance - na MHz Bruker Avance 950 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

6 3D HNCACB

Instrument

Bruker Avance - na MHz Bruker Avance 950 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

7 3D HN(COCA)CB

Instrument

Bruker Avance - na MHz Bruker Avance 950 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

8 3D 1H-15N TOCSY

Instrument

Bruker Avance - 700 MHz Bruker Avance III 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

9 3D 1H-15N NOESY

Instrument

Bruker Avance - na MHz Bruker Avance 950 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

10 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - na MHz Bruker Avance 950 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

11 3D H(CCO)NH

Instrument

Bruker Avance - 700 MHz Bruker Avance III 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

12 3D C(CO)NH

Instrument

Bruker Avance - 700 MHz Bruker Avance III 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

13 CON

Instrument

Bruker Avance NEO - 700 MHz Bruker Avance NEO 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

14 CBCACON

Instrument

Bruker Avance NEO - 700 MHz Bruker Avance NEO 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

15 CANCO

Instrument

Bruker Avance NEO - 700 MHz Bruker Avance NEO 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

16 CACO

Instrument

Bruker Avance NEO - 700 MHz Bruker Avance NEO 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

17 CBCACO

Instrument

Bruker Avance NEO - 700 MHz Bruker Avance NEO 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310.15 K, pH 7.25, Details pH 7.25

#	Name	Isotope labeling	Type	Concentration
1	TRIS	natural abundance		20 mM
2	SDS	[U-99% 2H]		7 mM
3	STIM1 CC1	[U-95% 13C; U-95% 15N]		0.3 mM
4	H2O	[U-99% 2H]		10 % w/v
5	H2O	natural abundance		90 % w/v

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr50114_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: bmr50114_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	958		78.3 (chain: 1, length: 115)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 115, Sequence coverage: 78.3%
- Total number of assignments
  - ¹H chemical shifts: 524
  - ¹³C chemical shifts: 340
  - ¹⁵N chemical shifts: 94
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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