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 30418

Title: Solution Structure of Amebosin

Deposition date: 2018-02-27 Original release date: 2019-02-01

Authors: Mendoza, A.; Flores-Solis, D.; Del Rio Portilla, F.; Brieba de Castro, L.

Citation: Mendoza, A.; Flores-Solis, D.; Casados-Vazquez, L.; Renteria-Gonzalez, I.; Benitez-Cardoza, C.; Del Rio Portilla, F.; Brieba de Castro, L.. "Solution Structure of Amebosin"  .

Assembly members:
entity_1, polymer, 105 residues, 11379.565 Da.

Natural source:   Common Name: Entamoeba histolytica   Taxonomy ID: 5759   Superkingdom: Eukaryota   Kingdom: not available   Genus/species: Entamoeba histolytica

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

Entity Sequences (FASTA):
entity_1: GPHMSLTEDNNNTTITIAKG ENKEIILHGNPTTGYSWVVD SSEGLSNTVEYVADQHAPGI SGSGGKYHIKITGTQTGEGK IVLVYRRPWAPNANDRTFTL KVNVQ

Data sets:
Data typeCount
13C chemical shifts294
15N chemical shifts109
1H chemical shifts599

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 105 residues - 11379.565 Da.

1   GLYPROHISMETSERLEUTHRGLUASPASN
2   ASNASNTHRTHRILETHRILEALALYSGLY
3   GLUASNLYSGLUILEILELEUHISGLYASN
4   PROTHRTHRGLYTYRSERTRPVALVALASP
5   SERSERGLUGLYLEUSERASNTHRVALGLU
6   TYRVALALAASPGLNHISALAPROGLYILE
7   SERGLYSERGLYGLYLYSTYRHISILELYS
8   ILETHRGLYTHRGLNTHRGLYGLUGLYLYS
9   ILEVALLEUVALTYRARGARGPROTRPALA
10   PROASNALAASNASPARGTHRPHETHRLEU
11   LYSVALASNVALGLN

Samples:

sample_1: Amebosin 1 ± 0.1 mM

sample_2: Amebosin, [U-99% 15N], 1 ± 0.1 mM

sample_3: Amebosin, [U-99% 13C; U-99% 15N], 1 ± 0.1 mM

sample_conditions_1: ionic strength: 1 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-15N TOCSYsample_2isotropicsample_conditions_1
3D HNCOsample_3isotropicsample_conditions_1
3D HNCAsample_3isotropicsample_conditions_1
3D HNCACBsample_3isotropicsample_conditions_1
3D HN(CO)CAsample_3isotropicsample_conditions_1
3D 1H-15N TOCSYsample_3isotropicsample_conditions_1
3D HCCH-TOCSYsample_3isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1

Software:

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

CS-Rosetta, Shen, Vernon, Baker and Bax - structure calculation

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian VXRS 700 MHz

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