BMRB Entry 25783

Name: Astexin3
Published: 2015-11-09

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PDB ID: 2n6v
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25783
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Astexin3

Deposition date:

2015-08-28

Original release date:

2015-11-09

Authors:

Link, A. James; Maksimov, Mikhail

Citation:

Citation: Maksimov, Mikhail; Koos, Joseph; Zong, Chuhan; Lisko, Bozhena; Link, A. James. "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_ASTEXIN3, polymer, 24 residues, 2542.775 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_ASTEXIN3: GPTPMVGLDSVSGQYWDQHA PLAD

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	73
1H chemical shifts	155

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 24 residues - 2542.775 Da.

1

GLY

PRO

THR

PRO

MET

VAL

GLY

LEU

ASP

SER

2

VAL

SER

GLY

GLN

TYR

TRP

ASP

GLN

HIS

ALA

3

PRO

LEU

ALA

ASP

Samples:

sample_1: astexin3 6.4 ± 1.4 mg/mL; H2O 95%; D2O 5%

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

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