BMRB Entry 30988

Name: Heterogeneous-backbone proteomimetic analogue of the disulfide-rich venom peptide lasiocepsin: native loop
Published: 2022-04-26

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PDB ID: 7tv6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30988
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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:

Heterogeneous-backbone proteomimetic analogue of the disulfide-rich venom peptide lasiocepsin: native loop

Deposition date:

2022-02-04

Original release date:

2022-04-26

Authors:

Cabalteja, C.; Harmon, T.; Rao, S.; Horne, W.

Citation:

Citation: Cabalteja, C.; Lin, Q.; Harmon, T.; Rao, S.; Di, Y.; Horne, W.. "Heterogeneous-Backbone Proteomimetic Analogues of Lasiocepsin, a Disulfide-Rich Antimicrobial Peptide with a Compact Tertiary Fold" ACS Chem. Biol. 17, 987-997 (2022).
PubMed: 35290019

Assembly members:

Assembly members:
entity_1, polymer, 28 residues, 2913.833 Da.

Natural source:

Natural source: Common Name: bees Taxonomy ID: 88510 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Lasioglossum laticeps

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GLXRKXLCAXAKKKGKCKGA XKLXCKCX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	200

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 28 residues - 2913.833 Da.

1

GLY

LEU

XCP

ARG

LYS

XCP

LEU

CYS

ALA

XCP

2

ALA

LYS

B3K

LYS

GLY

LYS

CYS

LYS

GLY

ALA

3

XCP

LYS

LEU

1VR

CYS

LYS

CYS

NH2

Samples:

sample_1: Heterogeneous-backbone proteomimetic analogue of the disulfide-rich venom peptide lasiocepsin: native loop 2.8 mM; DSS 0.1 mM

sample_conditions_1: ionic strength: 10 mM; pH: 4 pH*; pressure: 1 atm; temperature: 300 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-1H COSY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

TopSpin, Bruker Biospin - processing

NMRFAM-SPARKY, Lee, Tonelli, Markley - data analysis

ARIA, Linge, O'Donoghue and Nilges - refinement, structure calculation

NMR spectrometers:

Bruker AVANCE 700 MHz