BMRB Entry 30062

Title:
NMR Derived Structure of Ca2+ Calmodulin bound to Phosphorylated PSD-95
Deposition date:
2016-04-06
Original release date:
2017-10-19
Authors:
Turner, M.; Ames, J.; Anderson, D.
Citation:

Citation: Chowdhury, Dhrubajyoti; Turner, Matthew; Patriarchi, Tommaso; Hergarden, Anne; Anderson, David; Zhang, Yonghong; Sun, Junqing; Chen, Chao-Yin; Ames, James; Hell, Johannes. "Ca2+/calmodulin binding to PSD-95 mediates homeostatic synaptic scaling down"  EMBO J. 37, 122-138 (2018).
PubMed: 29118000

Assembly members:

Assembly members:
Calmodulin, polymer, 148 residues, 16721.350 Da.
CALCIUM ION, non-polymer, 40.078 Da.
PHOSPHOTHREONINE, non-polymer, 199.099 Da.

Natural source:

Natural source:   Common Name: African clawed frog   Taxonomy ID: 8355   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Xenopus laevis

Experimental source:

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

Data sets:
Data typeCount
13C chemical shifts440
15N chemical shifts143
1H chemical shifts580

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2CALCIUM ION2
3PHOSPHOTHREONINE, 13
4PHOSPHOTHREONINE, 23
5PHOSPHOTHREONINE, 33
6PHOSPHOTHREONINE, 43

Entities:

Entity 1, entity_1 148 residues - 16721.350 Da.

1   ALAASPGLNLEUTHRGLUGLUGLNILEALA
2   GLUPHELYSGLUALAPHESERLEUPHEASP
3   LYSASPGLYASPGLYTHRILETHRTHRLYS
4   GLULEUGLYTHRVALMETARGSERLEUGLY
5   GLNASNPROTHRGLUALAGLULEUGLNASP
6   METILEASNGLUVALASPALAASPGLYASN
7   GLYTHRILEASPPHEPROGLUPHELEUTHR
8   METMETALAARGLYSMETLYSASPTHRASP
9   SERGLUGLUGLUILEARGGLUALAPHEARG
10   VALPHEASPLYSASPGLYASNGLYTYRILE
11   SERALAALAGLULEUARGHISVALMETTHR
12   ASNLEUGLYGLULYSLEUTHRASPGLUGLU
13   VALASPGLUMETILEARGGLUALAASPILE
14   ASPGLYASPGLYGLNVALASNTYRGLUGLU
15   PHEVALGLNMETMETTHRALALYS

Entity 2, CALCIUM ION - 40.078 Da.

1   CA

Entity 3, PHOSPHOTHREONINE, 1 - 199.099 Da.

1   TPO

Samples:

sample_1: Calmodulin, [U-100% 13C; U-100% 15N], 500 uM; PSD-95 phosphorylated 750 uM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 50 mM; pH: 7; pressure: 1 atm; temperature: 318 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
IPAP HSQCsample_1anisotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1

Software:

HADDOCK, Bonvin - structure calculation

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AvanceIII 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks