BMRB Entry 25782

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25782
MolProbity Validation Chart

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Title:
Astexin2-dC4
Deposition date:
2015-08-28
Original release date:
2015-11-17
Authors:
Link, A. James; Maksimov, Mikhail
Citation:

Citation: Maksimov, Mikhail; Koos, Joseph; Zong, Chuhan; Link, A. James; Lisko, Bozhena. "Elucidating the Specificity Determinants of the AtxE2 Lasso Peptide Isopeptidase"  J. Biol. Chem. 290, 30806-30812 (2015).
PubMed: 26534965

Assembly members:

Assembly members:
LASSO_PEPTIDE_ASTEXIN2-dC4, polymer, 20 residues, 2134.348 Da.

Natural source:

Natural source:   Common Name: a-proteobacteria   Taxonomy ID: 78587   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Asticcacaulis excentricus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pASK75

Entity Sequences (FASTA):

Entity Sequences (FASTA):
LASSO_PEPTIDE_ASTEXIN2-dC4: GLTQIQALDSVSGQFRDQLG

Data sets:
Data typeCount
13C chemical shifts59
1H chemical shifts130

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Lasso peptide Astexin2-dC41

Entities:

Entity 1, Lasso peptide Astexin2-dC4 20 residues - 2134.348 Da.

1   GLYLEUTHRGLNILEGLNALALEUASPSER
2   VALSERGLYGLNPHEARGASPGLNLEUGLY

Samples:

sample_1: astexin2-dC4 2.7 mg/mL

sample_2: astexin2-dC4 4.9 mM

sample_conditions_1: pressure: 1 atm; temperature: 295 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

Mestrenova v9.0.0, Mestrelab Research - data analysis

GROMACS v4.6.5, Hess, Kutzner, van der Spoel and Lindahl - refinement

NMR spectrometers:

  • Bruker Avance 800 MHz