BMRB Entry 15056

Name: Antiamoebin-I in methanol solution - rapid exchange between right- and left-handed 3-10-helical conformations
Published: 2007-10-16

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15056

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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:

Antiamoebin-I in methanol solution - rapid exchange between right- and left-handed 3-10-helical conformations

Deposition date:

2006-11-28

Original release date:

2007-10-16

Authors:

Shenkarev, Zakhar; Paramonov, Alexander; Nadezhdin, Kirill

Citation:

Citation: Shenkarev, Zakhar; Paramonov, Alexander; Nadezhdin, Kirill; Bocharov, E.; Kudelina, I.; Skladnev, D.; Tagaev, A.; Yakimenko, Z.; Ovchinnikova, T.; Arseniev, A.. "Antiamoebin I in methanol solution: rapid exchange between right-handed and left-handed 3(10)-helical conformations" Chem. Biodivers. 4, 1219-1242 (2007).
PubMed: 17589862

Assembly members:

Assembly members:
Aam-I, polymer, 17 residues, Formula weight is not available

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 Host organism: Emerisellopsis minima

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Aam-I: XFXXXXGLXXXQXXXPX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	69
15N chemical shifts	14
1H chemical shifts	80

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Aam-I	1

Entities:

Entity 1, Aam-I 17 residues - Formula weight is not available

full sequence - FUUUJGLUUOQJOUPFoh U=AIB (a-aminoisobutyric acid), J=DIV (D-isovaline), O=HYP acetylted N-terminus and a C-terminal a-amino alcohol

1

ACE

PHE

AIB

DIV

GLY

LEU

AIB

2

HYP

GLN

DIV

HYP

AIB

PRO

PHL

Samples:

sample_1: Aam-I, [U-98% 13C; U-98% 15N], 4 mM

sample_2: Aam-I, [U-98% 15N], 4 mM

sample_3: Aam-I 4 mM

sample_conditions_1: ionic strength: 0 M; pH: 6.2; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D HNCA	sample_1	isotropic	sample_conditions_1
2D HNCO	sample_1	isotropic	sample_conditions_1
2D HN(CA)CO	sample_1	isotropic	sample_conditions_1
2D HN(CO)CA	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D HNCACB	sample_1	isotropic	sample_conditions_1
2D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
ROESY	sample_3	isotropic	sample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

FANTOM, Braun - molecular modeling, Monte-Carlo simulations

Molmol, Koradi, Billeter and Wuthrich - figure drawnings, visual analysis

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

TOPSPIN, Bruker Biospin - collection, processing

NMR spectrometers:

Bruker DRX 500 MHz

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