BMRB Entry 31036

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:
Data typeCount
1H chemical shifts152

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 29 residues - 3213.152 Da.

1   HISTHRASPGLYGLNTHRASNTHRVALTHR
2   ASPGLYGLYASPGLYARGTYRTHRASNLYS
3   ASPSERASPTHRASPHISARGGLUASP

Samples:

sample_1: amycolimiditide 3.8 mM

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_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