BMRB Entry 19570

Name: Solution NMR structure of the cactus-derived antimicrobial peptide Ep-AMP1
Published: 2014-11-10

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PDB ID: 2mfs
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19570
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR structure of the cactus-derived antimicrobial peptide Ep-AMP1

Deposition date:

2013-10-22

Original release date:

2014-11-10

Authors:

Rosengren, K. Johan; Goransson, Ulf; Gunasekera, Sunithi; Aboye, Teshome

Citation:

Citation: Aboye, Teshome; Stromstedt, Adam; Bruhn, Jan; El-Seedi, Hesham; Gunasekera, Sunithi; Rosengren, K. Johan; Goransson, Ulf. "A cactus derived toxin-like cystine knot peptide with selective antimicrobial activity" ChemBioChem ., .-..

Assembly members:

Assembly members:
Ep-AMP1, polymer, 35 residues, 3611.234 Da.

Natural source:

Natural source: Common Name: eudicots Taxonomy ID: 1001097 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Echinopsis pachanoi

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Ep-AMP1: CVLIGQRCDNDRGPRCCSGQ GNCVPLPFLGGVCAV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	62
1H chemical shifts	216

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cactus-derived antimicrobial peptide Ep-AMP1	1

Entities:

Entity 1, cactus-derived antimicrobial peptide Ep-AMP1 35 residues - 3611.234 Da.

1

CYS

VAL

LEU

ILE

GLY

GLN

ARG

CYS

ASP

ASN

2

ASP

ARG

GLY

PRO

ARG

CYS

SER

GLY

GLN

3

GLY

ASN

CYS

VAL

PRO

LEU

PRO

PHE

LEU

GLY

4

GLY

VAL

CYS

ALA

VAL

Samples:

sample_1: Ep-AMP1 6 mg/mL; H2O 90%; D2O 10%

sample_2: Ep-AMP1 4 mg/mL; D2O 100%

sample_conditions_1: ionic strength: 0 M; pH: 3.0; pressure: 1 atm; temperature: 298 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 DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-1H ECOSY	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

XEASY, Bartels et al. - chemical shift assignment, data analysis, peak picking

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

NMR spectrometers:

Bruker Avance 600 MHz