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Solution structure of the STIM1 CC1-CC2 homodimer in complex with two Orai1 C-terminal domains.
Authors
Stathopulos, P.B., Ikura, M.
Assembly
STIM1 CC1-CC2 homodimer in complex with two Orai1 C-terminal domains
Entity
1. STIM1 CC1-CC2 (polymer, Thiol state: not present), 82 monomers, 9683.832 × 2 Da Detail

GSHMASSRQK YAEEELEQVR EALRKAEKEL ESHSSWYAPE ALQKWLQLTH EVEVQYYNIK KQNAEKQLLV AKEGAEKIKK KR


2. Orai1 (polymer, Thiol state: not present), 23 monomers, 2650.770 × 2 Da Detail

GSELNELAEF ARLQDQLDHR GDH


Total weight
24669.203 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: 81.0 %, Completeness: 73.7 %, Completeness (bb): 76.8 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All73.7 % (941 of 1277)73.0 % (495 of 678)75.7 % (364 of 481)69.5 % (82 of 118)
Backbone76.8 % (482 of 628)75.1 % (160 of 213)77.8 % (242 of 311)76.9 % (80 of 104)
Sidechain72.0 % (540 of 750)72.0 % (335 of 465)74.9 % (203 of 271)14.3 % (2 of 14)
Aromatic44.2 % (38 of 86)44.2 % (19 of 43)41.5 % (17 of 41)100.0 % (2 of 2)
Methyl81.3 % (78 of 96)83.3 % (40 of 48)79.2 % (38 of 48)

1. STIM1 CC1-CC2

GSHMASSRQK YAEEELEQVR EALRKAEKEL ESHSSWYAPE ALQKWLQLTH EVEVQYYNIK KQNAEKQLLV AKEGAEKIKK KR

2. Orai1

GSELNELAEF ARLQDQLDHR GDH

Sample #1

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


#NameIsotope labelingTypeConcentration
1STIM1_CC1-CC2[U-100% 15N]0.25 mM
2Orai1natural abundance3.0 mM
3bis-TRISnatural abundance20 mM
4TFE[U-99% 2H]0.175 v/v
5H2Onatural abundance90 %
6D2Onatural abundance10 %
Sample #2

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


#NameIsotope labelingTypeConcentration
7STIM1_CC1-CC2[U-99% 13C; U-99% 15N]0.25 mM
8Orai1natural abundance3.0 mM
9bis-TRISnatural abundance20 mM
10TFE[U-99% 2H]0.175 v/v
11H2Onatural abundance90 %
12D2Onatural abundance10 %
Sample #3

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


#NameIsotope labelingTypeConcentration
13STIM1_CC1-CC2[U-99% 13C; U-99% 15N]0.25 mM
14Orai1natural abundance3.0 mM
15bis-TRISnatural abundance20 mM
16TFE[U-99% 2H]0.175 v/v
17D2Onatural abundance100 %
Sample #4

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


#NameIsotope labelingTypeConcentration
18STIM1_CC1-CC2natural abundance2.5 mM
19Orai1[U-99% 15N]0.25 mM
20bis-TRISnatural abundance20 mM
21TFE[U-99% 2H]0.175 v/v
22H2Onatural abundance90 %
23D2Onatural abundance10 %
Sample #5

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


#NameIsotope labelingTypeConcentration
24STIM1_CC1-CC2natural abundance2.5 mM
25Orai1[U-99% 13C; U-99% 15N]0.25 mM
26bis-TRISnatural abundance20 mM
27TFE[U-99% 2H]0.175 v/v
28D2Onatural abundance100 %

Chem. Shift Complete2
Sequence coverage: 39.0 %, Completeness: 47.7 %, Completeness (bb): 51.8 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All47.7 % (1218 of 2554)47.6 % (645 of 1356)46.6 % (448 of 962)53.0 % (125 of 236)
Backbone51.8 % (651 of 1256)53.3 % (227 of 426)48.9 % (304 of 622)57.7 % (120 of 208)
Sidechain44.9 % (673 of 1500)44.9 % (418 of 930)46.1 % (250 of 542)17.9 % (5 of 28)
Aromatic22.1 % (38 of 172)22.1 % (19 of 86)20.7 % (17 of 82)50.0 % (2 of 4)
Methyl52.1 % (100 of 192)54.2 % (52 of 96)50.0 % (48 of 96)

1. STIM1 CC1-CC2

GSHMASSRQK YAEEELEQVR EALRKAEKEL ESHSSWYAPE ALQKWLQLTH EVEVQYYNIK KQNAEKQLLV AKEGAEKIKK KR

2. Orai1

GSELNELAEF ARLQDQLDHR GDH

Sample #1

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


#NameIsotope labelingTypeConcentration
1STIM1_CC1-CC2[U-100% 15N]0.25 mM
2Orai1natural abundance3.0 mM
3bis-TRISnatural abundance20 mM
4TFE[U-99% 2H]0.175 v/v
5H2Onatural abundance90 %
6D2Onatural abundance10 %
Sample #2

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


#NameIsotope labelingTypeConcentration
7STIM1_CC1-CC2[U-99% 13C; U-99% 15N]0.25 mM
8Orai1natural abundance3.0 mM
9bis-TRISnatural abundance20 mM
10TFE[U-99% 2H]0.175 v/v
11H2Onatural abundance90 %
12D2Onatural abundance10 %
Sample #3

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


#NameIsotope labelingTypeConcentration
13STIM1_CC1-CC2[U-99% 13C; U-99% 15N]0.25 mM
14Orai1natural abundance3.0 mM
15bis-TRISnatural abundance20 mM
16TFE[U-99% 2H]0.175 v/v
17D2Onatural abundance100 %
Sample #4

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


#NameIsotope labelingTypeConcentration
18STIM1_CC1-CC2natural abundance2.5 mM
19Orai1[U-99% 15N]0.25 mM
20bis-TRISnatural abundance20 mM
21TFE[U-99% 2H]0.175 v/v
22H2Onatural abundance90 %
23D2Onatural abundance10 %
Sample #5

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


#NameIsotope labelingTypeConcentration
24STIM1_CC1-CC2natural abundance2.5 mM
25Orai1[U-99% 13C; U-99% 15N]0.25 mM
26bis-TRISnatural abundance20 mM
27TFE[U-99% 2H]0.175 v/v
28D2Onatural abundance100 %

Protein Blocks Logo
Calculated from 20 models in PDB: 2MAK, Strand ID: A, B, C, D 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 ,
Entries sharing articles BMRB: 1, Swiss-Prot: 2 entries Detail
  BMRB: 19362 released on 2014-01-12
    Title Solution Structure of the STIM1 CC1-CC2 homodimer.
  Swiss-Prot: Q96D31 released on 2006-05-16
    Title CRCM1_HUMAN Entity Calcium release-activated calcium channel protein 1
  Swiss-Prot: Q13586 released on 2001-11-02
    Title STIM1_HUMAN Entity Stromal interaction molecule 1
Related entities 1. STIM1 CC1-CC2, : 1 : 1 : 24 entities Detail
Related entities 2. Orai1, : 1 : 7 : 3 entities Detail
Interaction partners 1. STIM1 CC1-CC2, : 31 : 1 interactors Detail
Interaction partners 2. Orai1, : 2 : 1 interactors Detail
Experiments performed 13 experiments Detail
NMR combined restraints 6 contents Detail
Keywords CC1-CC2, coiled-coil, Orai1, Orai1 C-terminal domain, STIM1