BMRB Entry 51072

Title:
15N, 13C, and 1H resonance assignments of Jarastatin a disintegrin of Bothrops jararaca.
Deposition date:
2021-08-26
Original release date:
2021-12-13
Authors:
Vasconcelos, Ariana; Succar, Barbara; Bartkevihi, Leonardo; Zingali, Russolina; Almeida, Fabio
Citation:

Citation: Vasconcelos, Ariana Azevedo; Succar, Barbara Barbosa; di Piero, Leonardo Bartkevihi; Kurtenbach, Eleonora; Zingali, Russolina Benedeta; Almeida, Fabio. "15N, 13C, and 1H resonance assignments of Jarastatin: a disintegrin of Bothrops jararaca"  Biomol. NMR Assignments 16, 37-40 (2022).
PubMed: 34826102

Assembly members:

Assembly members:
entity_1, polymer, 73 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Bothrops jararaca   Taxonomy ID: 8724   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Bothrops jararaca

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Pichia pastoris   Vector: pPIC9

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts269
15N chemical shifts69
1H chemical shifts413

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1rJast1

Entities:

Entity 1, rJast 73 residues - Formula weight is not available

1   GLUALAGLYGLUGLUCYSASPCYSGLYTHR
2   PROGLYASNPROCYSCYSASPALAALATHR
3   CYSLYSLEUARGPROGLYALAGLNCYSALA
4   GLUGLYLEUCYSCYSASPGLNCYSARGPHE
5   METLYSGLUGLYTHRVALCYSARGARGALA
6   ARGGLYASPASPMETASPASPTYRCYSASN
7   GLYILESERALAGLYCYSPROARGASNPRO
8   PHEHISALA

Samples:

sample_1: rJast, [U-100% 13C; U-100% 15N], 800 uM; sodium phosphate 5 uM

sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCACONHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D (H)CCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1

Software:

NMRbox - data analysis

TOPSPIN - collection

NMRPipe - processing

CcpNMR - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE III 800 MHz
  • Bruker AVANCE III 900 MHz

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