BMRB Entry 25754

Name: Astexin1
Published: 2015-11-02

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PDB ID: 2n68
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25754
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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:

Astexin1

Deposition date:

2015-08-13

Original release date:

2015-11-02

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_ASTEXIN1, polymer, 23 residues, 2583.721 Da.

Natural source:

Natural source: Common Name: a-proteobacteria Taxonomy ID: 573065 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_ASTEXIN1: GLSQGVEPDIGQTYFEESRI NQD

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	73
1H chemical shifts	154

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	LASSO peptide Astexin1	1

Entities:

Entity 1, LASSO peptide Astexin1 23 residues - 2583.721 Da.

1

GLY

LEU

SER

GLN

GLY

VAL

GLU

PRO

ASP

ILE

2

GLY

GLN

THR

TYR

PHE

GLU

SER

ARG

ILE

3

ASN

GLN

ASP

Samples:

sample_1: astexin1 7.27 ± 1.16 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