BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 15851

Title: NMR structure of calcium-loaded STIM1 EF-SAM   PubMed: 18854159

Deposition date: 2008-07-02 Original release date: 2008-10-14

Authors: Stathopulos, Peter; Ikura, Mitsuhiko

Citation: Stathopulos, Peter; Zheng, Le; Li, Guang-Yao; Plevin, Michael; Ikura, Mitsuhiko. "Structural and Mechanistic Insights into STIM1-Mediated Initiation of Store-Operated Calcium Entry"  Cell 135, 110-122 (2008).

Assembly members:
stromal_interaction_molecule_1, polymer, 150 residues, 17380.514 Da.
CA, non-polymer, 40.078 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
stromal_interaction_molecule_1: GSHMASSEDEKLSFEAVRNI HKLMDDDANGDVDVEESDEF LREDLNYHDPTVKHSTFHGE DKLISVEDLWKAWKSSEVYN WTVDEVVQWLITYVELPQYE ETFRKLQLSGHAMPRLAVTN TTMTGTVLKMTDRSHRQKLQ LKALDTVLFG

Data sets:
Data typeCount
13C chemical shifts569
15N chemical shifts125
1H chemical shifts978

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Stromal interaction molecule 11
2CALCIUM ION2

Entities:

Entity 1, Stromal interaction molecule 1 150 residues - 17380.514 Da.

The first 6 residues (numbered -5, -4, -3, -2, -1, 0) are remnants of the non-native affinity tag. The remaining residues are situated in the endoplasmic reticulum luminal portion of STIM1 (58 to 201).

1   GLYSERHISMETALASERSERGLUASPGLU
2   LYSLEUSERPHEGLUALAVALARGASNILE
3   HISLYSLEUMETASPASPASPALAASNGLY
4   ASPVALASPVALGLUGLUSERASPGLUPHE
5   LEUARGGLUASPLEUASNTYRHISASPPRO
6   THRVALLYSHISSERTHRPHEHISGLYGLU
7   ASPLYSLEUILESERVALGLUASPLEUTRP
8   LYSALATRPLYSSERSERGLUVALTYRASN
9   TRPTHRVALASPGLUVALVALGLNTRPLEU
10   ILETHRTYRVALGLULEUPROGLNTYRGLU
11   GLUTHRPHEARGLYSLEUGLNLEUSERGLY
12   HISALAMETPROARGLEUALAVALTHRASN
13   THRTHRMETTHRGLYTHRVALLEULYSMET
14   THRASPARGSERHISARGGLNLYSLEUGLN
15   LEULYSALALEUASPTHRVALLEUPHEGLY

Entity 2, CALCIUM ION - Ca - 40.078 Da.

1   CA

Samples:

sample_1: stromal interaction molecule 1, [U-100% 13C; U-100% 15N], 0.5-1.0 mM; TRIS 20 mM; sodium chloride 100 mM; CALCIUM ION 5 mM

sample_2: stromal interaction molecule 1, [U-100% 13C; U-100% 15N], 0.5-1.0 mM; TRIS, [U-99% 2H], 20 mM; sodium chloride 100 mM; CALCIUM ION 5 mM

sample_condition_1: ionic strength: 105 mM; pH: 8.0; pressure: 1 atm; temperature: 293 K

sample_condition_2: ionic strength: 105 mM; pD: 8.0; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_condition_1
3D CBCA(CO)NHsample_1isotropicsample_condition_1
3D HNCACBsample_1isotropicsample_condition_1
3D HNCOsample_1isotropicsample_condition_1
3D H(CCO)NHsample_1isotropicsample_condition_1
3D C(CO)NHsample_1isotropicsample_condition_1
3D 1H-15N NOESYsample_1isotropicsample_condition_1
3D HCCH-TOCSYsample_2isotropicsample_condition_2
2D 1H-13C HSQCsample_2isotropicsample_condition_2
3D 1H-13C NOESYsample_2isotropicsample_condition_2

Software:

CNS vv1.1, Brunger A. T. et.al. - refinement

CYANA vv2.1, Guntert, Mumenthaler and Wuthrich - structure solution

XEASY, Bartels et al. - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian INOVA 600 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 900 MHz

Related Database Links:

PDB
DBJ BAG54839
GB AAC51627 AAH21300 ABM86435 ABW03792 ADO20317
REF NP_001248464 NP_001264890 NP_001264891 NP_003147 XP_001160553
SP Q13586

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts