BMRB Entry 31036

Name: Aspartimidylated Graspetide Amycolimiditide
Published: 2022-11-09

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PDB ID: 8dym
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31036
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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:

Aspartimidylated Graspetide Amycolimiditide

Deposition date:

2022-08-04

Original release date:

2022-11-09

Authors:

Link, A.; Choi, B.

Citation:

Citation: Choi, Brian; Elashal, Hader; Cao, Li; Link, A James. "Mechanistic Analysis of the Biosynthesis of the Aspartimidylated Graspetide Amycolimiditide" J. Am. Chem. Soc. 144, 21628-21639 (2022).
PubMed: 36394830

Assembly members:

Assembly members:
entity_1, polymer, 29 residues, 3213.152 Da.

Natural source:

Natural source: Common Name: Amycolatopsis cihanbeyliensis Taxonomy ID: 1128664 Superkingdom: Bacteria Kingdom: not available Genus/species: Amycolatopsis cihanbeyliensis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3) Vector: pBC051

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: HTDGQTNTVTDGGDGRYTNK DSDTDHRED

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	152

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 29 residues - 3213.152 Da.

1

HIS

THR

ASP

GLY

GLN

THR

ASN

THR

VAL

THR

2

ASP

GLY

ASP

GLY

ARG

TYR

THR

ASN

LYS

3

ASP

SER

ASP

THR

ASP

HIS

ARG

GLU

ASP

Samples:

sample_1: amycolimiditide 3.8 mM

sample_conditions_1: ionic strength: 0 M; pH: 7; pressure: 1 atm; temperature: 293 K

Experiments:

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

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

MestreLab (Mnova / MestReNova / MestReC) v14.2.0-26256, Mestrelab Research - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE III 800 MHz