BMRB Entry 18596

Title:
Solution structure of a Eosinophil Cationic Protein-trisaccharide heparin mimetic complex
Deposition date:
2012-07-17
Original release date:
2013-07-29
Authors:
Garcia Mayoral, Maria Flor; Canales, Angeles; Diaz, Dolores; Lopez Prados, Javier; Moussaoui, Mohammed; de Paz, Jose Luis; Angulo, Jesus; Nieto, Pedro Manuel; Jimenez Barbero, Jesus; Boix, Ester; Bruix, Marta
Citation:

Citation: Garcia Mayoral, Maria Flor; Canales, Angeles; Diaz, Dolores; Lopez Prados, Javier; Moussaoui, Mohammed; de Paz, Jose Luis; Angulo, Jesus; Nieto, Pedro Manuel; Jimenez Barbero, Jesus; Boix, Ester; Bruix, Marta. "Insights into the glycosaminoglycan-mediated cytotoxic mechanism of eosinophil cationic protein revealed by NMR"  ACS Chem. Biol. 8, 144-151 (2013).
PubMed: 23025322

Assembly members:

Assembly members:
Eosinophil_Cationic_Protein, polymer, 133 residues, 15598.974 Da.
SUGAR_(3-MER), polymer, 3 residues, 595.473 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET11c

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts410
15N chemical shifts148
1H chemical shifts923

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Eosinophil Cationic Protein1
2SUGAR (2-MER)2

Entities:

Entity 1, Eosinophil Cationic Protein 133 residues - 15598.974 Da.

1   ARGPROPROGLNPHETHRARGALAGLNTRP
2   PHEALAILEGLNHISILESERLEUASNPRO
3   PROARGCYSTHRILEALAMETARGALAILE
4   ASNASNTYRARGTRPARGCYSLYSASNGLN
5   ASNTHRPHELEUARGTHRTHRPHEALAASN
6   VALVALASNVALCYSGLYASNGLNSERILE
7   ARGCYSPROHISASNARGTHRLEUASNASN
8   CYSHISARGSERARGPHEARGVALPROLEU
9   LEUHISCYSASPLEUILEASNPROGLYALA
10   GLNASNILESERASNCYSARGTYRALAASP
11   ARGPROGLYARGARGPHETYRVALVALALA
12   CYSASPASNARGASPPROARGASPSERPRO
13   ARGTYRPROVALVALPROVALHISLEUASP
14   THRTHRILE

Entity 2, SUGAR (2-MER) 3 residues - 595.473 Da.

1   LVZIDSSGN

Samples:

sample_1: Eosinophil_Cationic_Protein, [U-13C; U-15N], 0.5 mM; Heparin (3-MER) 0.5 mM; potassium phosphate 100 mM; potassium chloride 300 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.3 M; pH: 4.0; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1

Software:

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - structure solution

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

BMRB 15757
PDB
EMBL CAA33251 CAA34545 CAA39462
GB AAA50283 AAC50143 AAC50150 AAG09050 AAG09051
REF NP_002926 XP_004054906 XP_004054907
SP P12724 P47778 P47780
TPE CDG31917 CDG31938
AlphaFold P12724 P47778 P47780

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