BMRB Entry 19354

Title:
Solution structure of Smoothened   PubMed: 24351982
Deposition date:
2013-07-09
Original release date:
2014-02-13
Authors:
Rana, Rajashree; Lee, Ho-Jin; Zheng, Jie
Citation:

Citation: Rana, Rajashree; Carroll, Candace; Lee, Ho-Jin; Bao, Ju; Marada, Suresh; Grace, Christy; Guibao, Cristina; Ogden, Stacey; Zheng, Jie. "Structural insights into the role of the Smoothened cysteine-rich domain in Hedgehog signalling."  Nat. Commun. 4, 2965-2965 (2013).

Assembly members:

Assembly members:
entity, polymer, 128 residues, 15224.935 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28

Experimental source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28

Data sets:
Data typeCount
13C chemical shifts556
15N chemical shifts125
1H chemical shifts926

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Smoothened1

Entities:

Entity 1, Smoothened 128 residues - 15224.935 Da.

1   SERGLYLEUVALPROARGGLYSERHISMET
2   VALARGARGALAARGCYSTYRPROTHRSER
3   ASNALATHRASNTHRCYSPHEGLYSERLYS
4   LEUPROTYRGLULEUSERSERLEUASPLEU
5   THRASPPHEHISTHRGLULYSGLULEUASN
6   ASPLYSLEUASNASPTYRTYRALALEULYS
7   HISVALPROLYSCYSTRPALAALAILEGLN
8   PROPHELEUCYSALAVALPHELYSPROLYS
9   CYSGLULYSILEASNGLYGLUASPMETVAL
10   TYRLEUPROSERTYRGLUMETCYSARGILE
11   THRMETGLUPROCYSARGILELEUTYRASN
12   THRTHRPHEPHEPROLYSPHELEUARGCYS
13   ASNGLUTHRLEUPHEPROTHRLYS

Samples:

sample_1: entity 200 mM; acetic acid, [U-2H], 10 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0 M; pH: 5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB

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