BMRB Entry 16739

Name: 1H, 13C, and 15N Chemical Shift Assignments for plectasin
Published: 2010-06-01

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16739

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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:

1H, 13C, and 15N Chemical Shift Assignments for plectasin

Deposition date:

2010-02-20

Original release date:

2010-06-01

Authors:

Schneider, Tanja; Kruse, Thomas; Wimmer, Reinhard; Wiedemann, Imke; Sass, Vera; Pag, Ulrike; Jansen, Andrea; Nielsen, Allan; Mygind, Per; Raventos, Dorotea; Neve, Soeren; Ravn, Birthe; Bonvin, Alexandre; De Maria, Leonardo; Kamenova, Lora; Sahl, Hans-Georg; Kristensen, Hans-Henrik

Citation:

Citation: Schneider, Tanja; Kruse, Thomas; Wimmer, Reinhard; Wiedemann, Imke; Sass, Vera; Pag, Ulrike; Jansen, Andrea; Nielsen, Allan; Mygind, Per; Raventos, Dorotea; Neve, Sren; Ravn, Birthe; Bonvin, Alexandre; De Maria, Leonardo; Andersen, Anders; Gammelgaard, Lora; Sahl, Hans-Georg; Kristensen, Hans-Henrik. "Plectasin, a Fungal Defensin, Targets the Bacterial Cell Wall Precursor Lipid II." Science 328, 1168-1172 (2010).
PubMed: 20508130

Assembly members:

Assembly members:
plectasin, polymer, 40 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Pseudoplectania nigrella Taxonomy ID: 96584 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Pseudoplectania nigrella

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Aspergillus oryzae Vector: N/A

Entity Sequences (FASTA):

Entity Sequences (FASTA):
plectasin: GFGCNGPWDEDDMQCHNHCK SIKGYKGGYCAKGGFVCKCY

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	148
15N chemical shifts	42
1H chemical shifts	207

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	plectasin	1

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

Samples:

sample_1: plectasin 1.12 mM; DSS 1.7 mM; citric acid 1.8 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 4.28; pressure: 1 atm; temperature: 298.1 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
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v1.3 and 2.1, Bruker Biospin, Keller and Wuthrich - chemical shift assignment, collection, data analysis

NMR spectrometers:

Bruker DRX 600 MHz

PDB	1ZFU 3E7R 3E7U
EMBL	CAI83768
SP	Q53I06
AlphaFold	Q53I06

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