BMRB Entry 18861

Name: NMR Structure of Antiamoebin I (peptaibol antibiotic) bound to DMPC/DHPC bicelles
Published: 2012-12-04

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PDB ID: 2m1f
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18861
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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:

NMR Structure of Antiamoebin I (peptaibol antibiotic) bound to DMPC/DHPC bicelles

Deposition date:

2012-11-27

Original release date:

2012-12-04

Authors:

Shenkarev, Zakhar; Paramonov, Alexander; Gizatullina, Albina

Citation:

Citation: Shenkarev, Zakhar; Paramonov, Alexander; Lyukmanova, Ekaterina; Gizatullina, Albina; Zhuravleva, Anastasia; Tagaev, Andrey; Yakimenko, Zoya; Telezhinskaya, Irina; Kirpichnikov, Mikhail; Ovchinnikova, Tatiana; Arseniev, Alexander. "Peptaibol antiamoebin I: spatial structure, backbone dynamics, interaction with bicelles and lipid-protein nanodiscs, and pore formation in context of barrel-stave model." Chem. Biodivers. 10, 838-863 (2013).
PubMed: 23681729

Assembly members:

Assembly members:
ANTIAMOEBIN_I, polymer, 17 residues, 1628.970 Da.

Natural source:

Natural source: Common Name: Emericellopsis minima Taxonomy ID: 45245 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Emericellopsis Minima

Experimental source:

Experimental source: Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ANTIAMOEBIN_I: XFXXXXGLXXXQXXXPX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	64
15N chemical shifts	14
1H chemical shifts	113

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Antiamoebin I	1

Entities:

Entity 1, Antiamoebin I 17 residues - 1628.970 Da.

1

ACE

PHE

AIB

DIV

GLY

LEU

AIB

2

HYP

GLN

DIV

HYP

AIB

PRO

PHL

Samples:

sample_1: DHPC 120 mM; DMPC 30 mM; acetic acid 7.5 mM; sodium acetate 2.5 mM; ANTIAMOEBIN I, [U-100% 13C; U-100% 15N], 1 mM

sample_conditions_1: pH: 5.1; pressure: 1 atm; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

Molmol, Koradi, Billeter and Wuthrich - data analysis

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

NMR spectrometers:

Bruker Avance 600 MHz