BMRB Entry 25782

Name: Astexin2-dC4
Published: 2015-11-17

Click here to enlarge.

PDB ID: 2n6u
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

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

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:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	59
1H chemical shifts	130

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Lasso peptide Astexin2-dC4	1

Entities:

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

1		GLY	LEU	THR	GLN	ILE	GLN	ALA	LEU	ASP	SER
2		VAL	SER	GLY	GLN	PHE	ARG	ASP	GLN	LEU	GLY

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:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_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

1		GLY	LEU	THR	GLN	ILE	GLN	ALA	LEU	ASP	SER
2		VAL	SER	GLY	GLN	PHE	ARG	ASP	GLN	LEU	GLY

1		GLY	LEU	THR	GLN	ILE	GLN	ALA	LEU	ASP	SER
2		VAL	SER	GLY	GLN	PHE	ARG	ASP	GLN	LEU	GLY

1		GLY	LEU	THR	GLN	ILE	GLN	ALA	LEU	ASP	SER
2		VAL	SER	GLY	GLN	PHE	ARG	ASP	GLN	LEU	GLY