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BMRB: 19362

2MAJ

Solution Structure of the STIM1 CC1-CC2 homodimer.

Authors

Stathopulos, P.B., Ikura, M.

Assembly

STIM1 CC1-CC2 homodimer

Entity

1. STIM1 CC1-CC2 homodimer (polymer, Thiol state: not present), 82 monomers, 9683.832 × 2 Da Detail

GSHMASSRQK YAEEELEQVR EALRKAEKEL ESHSSWYAPE ALQKWLQLTH EVEVQYYNIK KQNAEKQLLV AKEGAEKIKK KR

Total weight

19367.664 Da

Max. entity weight

9683.832 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 98.8 %, Completeness: 87.4 %, Completeness (bb): 95.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.4 % (891 of 1019)	85.1 % (462 of 543)	90.9 % (349 of 384)	87.0 % (80 of 92)
Backbone	95.5 % (468 of 490)	93.3 % (154 of 165)	97.1 % (237 of 244)	95.1 % (77 of 81)
Sidechain	82.4 % (502 of 609)	81.5 % (308 of 378)	86.8 % (191 of 220)	27.3 % (3 of 11)
Aromatic	29.4 % (20 of 68)	29.4 % (10 of 34)	25.0 % (8 of 32)	100.0 % (2 of 2)
Methyl	96.1 % (73 of 76)	92.1 % (35 of 38)	100.0 % (38 of 38)

1. STIM1 CC1-CC2

GSHMASSRQK YAEEELEQVR EALRKAEKEL ESHSSWYAPE ALQKWLQLTH EVEVQYYNIK KQNAEKQLLV AKEGAEKIKK KR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	STIM1_CC1-CC2	[U-99% 15N]	0.5 mM
2	bis-TRIS	natural abundance	20 mM
3	TFE	[U-99% 2H]	0.175 v/v
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.5

#	Name	Isotope labeling	Concentration
6	STIM1_CC1-CC2	[U-99% 13C; U-99% 15N]	0.5 mM
7	bis-TRIS	natural abundance	20 mM
8	TFE	[U-99% 2H]	0.175 v/v
9	H2O	natural abundance	90 %
10	D2O	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 5.5

#	Name	Isotope labeling	Concentration
11	STIM1_CC1-CC2	[U-99% 13C; U-99% 15N]	0.5 mM
12	bis-TRIS	natural abundance	20 mM
13	TFE	[U-99% 2H]	0.175 v/v
14	D2O	natural abundance	100 %

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 5.5

#	Name	Isotope labeling	Concentration
15	STIM1_CC1-CC2	[U-99% 13C; U-99% 15N]	0.5 mM
16	STIM1_CC1-CC2	natural abundance	0.5 mM
17	bis-TRIS	natural abundance	20 mM
18	TFE	[U-99% 2H]	0.175 v/v
19	D2O	natural abundance	100 %

Chem. Shift Complete2

Sequence coverage: 100.0 %, Completeness: 88.5 %, Completeness (bb): 95.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.5 % (1803 of 2038)	86.6 % (941 of 1086)	91.4 % (702 of 768)	87.0 % (160 of 184)
Backbone	95.5 % (936 of 980)	93.9 % (310 of 330)	96.7 % (472 of 488)	95.1 % (154 of 162)
Sidechain	84.2 % (1025 of 1218)	83.5 % (631 of 756)	88.2 % (388 of 440)	27.3 % (6 of 22)
Aromatic	41.2 % (56 of 136)	42.6 % (29 of 68)	35.9 % (23 of 64)	100.0 % (4 of 4)
Methyl	96.1 % (146 of 152)	92.1 % (70 of 76)	100.0 % (76 of 76)

1. STIM1 CC1-CC2

GSHMASSRQK YAEEELEQVR EALRKAEKEL ESHSSWYAPE ALQKWLQLTH EVEVQYYNIK KQNAEKQLLV AKEGAEKIKK KR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	STIM1_CC1-CC2	[U-99% 15N]	0.5 mM
2	bis-TRIS	natural abundance	20 mM
3	TFE	[U-99% 2H]	0.175 v/v
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 5.5

#	Name	Isotope labeling	Concentration
6	STIM1_CC1-CC2	[U-99% 13C; U-99% 15N]	0.5 mM
7	bis-TRIS	natural abundance	20 mM
8	TFE	[U-99% 2H]	0.175 v/v
9	H2O	natural abundance	90 %
10	D2O	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 5.5

#	Name	Isotope labeling	Concentration
11	STIM1_CC1-CC2	[U-99% 13C; U-99% 15N]	0.5 mM
12	bis-TRIS	natural abundance	20 mM
13	TFE	[U-99% 2H]	0.175 v/v
14	D2O	natural abundance	100 %

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 5.5

#	Name	Isotope labeling	Concentration
15	STIM1_CC1-CC2	[U-99% 13C; U-99% 15N]	0.5 mM
16	STIM1_CC1-CC2	natural abundance	0.5 mM
17	bis-TRIS	natural abundance	20 mM
18	TFE	[U-99% 2H]	0.175 v/v
19	D2O	natural abundance	100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.08 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MAJ, Strand ID: A, C Detail

Release date

2014-01-12

Citation

STIM1/Orai1 coiled-coil interplay in the regulation of store-operated calcium entry
Stathopulos, P.B., Schindl, R., Fahrner, M., Zheng, L., Gasmi-Seabrook, G., Muik, M., Romanin, C., Ikura, M.
Nat. Commun. (2013), 4, 2963-2963, PubMed 24351972 , DOI 10.1038/ncomms3963 , Abstract

Related entities 1. STIM1 CC1-CC2 homodimer, : 1 : 1 : 24 entities Detail

Interaction partners 1. STIM1 CC1-CC2 homodimer, : 32 interactors Detail

More details for 32 interactors identified by 15 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC