BMRB Entry 52395

Name: Complete 1H, 13C, and 15N Chemical Shift Assignments for Lcl collagen-like repeat (CLR) peptide
Published: 2024-04-23

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52395

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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: Complete 1H, 13C, and 15N Chemical Shift Assignments for Lcl collagen-like repeat (CLR) peptide PubMed: 38851738

Deposition date: 2024-04-13 Original release date: 2024-04-23

Authors: Garnett, James

Citation: Rehman, Saima; Antonovic, Anna Katarina; McIntire, Ian; Zheng, Huaixin; Cleaver, Leanne; Baczynska, Maria; Adams, Carlton; Portlock, Theo; Richardson, Katherine; Shaw, Rosie; Oregioni, Alain; Mastroianni, Giulia; Whittaker, Sara B-M; Kelly, Geoff; Lorenz, Christian; Fornili, Arianna; Cianciotto, Nicholas; Garnett, James. "The Legionella collagen-like protein employs a distinct binding mechanism for the recognition of host glycosaminoglycans" Nat. Commun. 15, 4912-4912 (2024).

Assembly members:
entity_1, polymer, 21 residues, Formula weight is not available

Natural source: Common Name: Legionella pneumophila Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: Legionella pneumophila

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: XEAGPQGLPGPKGDRGEAGP X

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	52
15N chemical shifts	17
1H chemical shifts	115

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Lcl-CLR	1

Entities:

Entity 1, Lcl-CLR 21 residues - Formula weight is not available

1

ACE

GLU

ALA

GLY

PRO

GLN

GLY

LEU

PRO

GLY

2

PRO

LYS

GLY

ASP

ARG

GLY

GLU

ALA

GLY

PRO

3

NH2

Samples:

sample_1: Lcl-CLR 3 mM; HEPES 20 mM; sodium chloride 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6; pressure: 1 atm; temperature: 288 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H ROESY	sample_1	isotropic	sample_conditions_1

Software:

ANALYSIS - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 700 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts