BMRB Entry 51880

Name: Assignments for plectasin in complex with Lipid II in membranes
Published: 2024-05-02

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51880

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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:

Assignments for plectasin in complex with Lipid II in membranes

Deposition date:

2023-03-20

Original release date:

2024-05-02

Authors:

Derks, Maik

Citation:

Citation: Jekhmane, Shehrazade; Derks, Maik; Maity, Sourav; Slingerland, Cornelis; Tehrani, Kamaleddin; Medeiros-Silva, Joao; Charitou, Vicky; Ammerlaan, Danique; Fetz, Celine; Consoli, Naomi; Cochrane, Rachel; Matheson, Eilidh; van der Weijde, Mick; Elenbaas, Barend; Lavore, Francesca; Cox, Ruud; Lorent, Joseph; Baldus, Marc; Kunzler, Markus; Lelli, Moreno; Cochrane, Stephen; Martin, Nathaniel; Roos, Wouter; Breukink, Eefjan; Weingarth, Markus. "Host defence peptide plectasin targets bacterial cell wall precursor lipid II by a calcium-sensitive supramolecular mechanism" Nat. Microbiol. 9, 1778-1791 (2024).
PubMed: 38783023

Assembly members:

Assembly members:
entity_1, polymer, 40 residues, Formula weight is not available
entity_2, polymer, 7 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-SUMO

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GFGCNGPWDEDDMQCHNHCK SIKGYKGGYCAKGGFVCKCY
entity_2: AXKXXXX

Data sets:

assigned_chemical_shifts

Data type	Count
13C chemical shifts	197
15N chemical shifts	202
1H chemical shifts	202

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Plectasin	1
2	Lipid II	2

Entities:

Entity 1, Plectasin 40 residues - Formula weight is not available

1	GLY	PHE	GLY	CYS	ASN	GLY	PRO	TRP	ASP	GLU
2	ASP	ASP	MET	GLN	CYS	HIS	ASN	HIS	CYS	LYS
3	SER	ILE	LYS	GLY	TYR	LYS	GLY	GLY	TYR	CYS
4	ALA	LYS	GLY	GLY	PHE	VAL	CYS	LYS	CYS	TYR

Entity 2, Lipid II 7 residues - Formula weight is not available

1

ALA

FGA

LYS

DAL

MUB

NAG

Name	Sample	Sample state	Sample conditions
2D PARIS CC	sample_1	isotropic	sample_conditions_1
2D (H)NH	sample_1	isotropic	sample_conditions_2
2D (H)NH	sample_3	isotropic	sample_conditions_2
2D (H)NH	sample_4	isotropic	sample_conditions_2
2D (H)NH	sample_5	isotropic	sample_conditions_2
2D (H)NH	sample_6	isotropic	sample_conditions_2
2D PARIS CC	sample_2	isotropic	sample_conditions_1
2D 13C/13C TOBSY	sample_2	isotropic	sample_conditions_2

BMRB Entry 51880

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	GLY	PHE	GLY	CYS	ASN	GLY	PRO	TRP	ASP	GLU
2	ASP	ASP	MET	GLN	CYS	HIS	ASN	HIS	CYS	LYS
3	SER	ILE	LYS	GLY	TYR	LYS	GLY	GLY	TYR	CYS
4	ALA	LYS	GLY	GLY	PHE	VAL	CYS	LYS	CYS	TYR

1	GLY	PHE	GLY	CYS	ASN	GLY	PRO	TRP	ASP	GLU
2	ASP	ASP	MET	GLN	CYS	HIS	ASN	HIS	CYS	LYS
3	SER	ILE	LYS	GLY	TYR	LYS	GLY	GLY	TYR	CYS
4	ALA	LYS	GLY	GLY	PHE	VAL	CYS	LYS	CYS	TYR

1	GLY	PHE	GLY	CYS	ASN	GLY	PRO	TRP	ASP	GLU
2	ASP	ASP	MET	GLN	CYS	HIS	ASN	HIS	CYS	LYS
3	SER	ILE	LYS	GLY	TYR	LYS	GLY	GLY	TYR	CYS
4	ALA	LYS	GLY	GLY	PHE	VAL	CYS	LYS	CYS	TYR