BMRB Entry 4601

Name: Solution structure of the channel-former Zervamicin IIB (peptaibol antibiotic)
Published: 2008-03-24

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PDB ID: 1dlz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4601
MolProbity Validation Chart

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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 structure of the channel-former Zervamicin IIB (peptaibol antibiotic)

Deposition date: 2000-05-05 Original release date: 2008-03-24

Authors: Balashova, T.; Shenkarev, Z.; Tagaev, A.; Ovchinnikova, T.; Raap, J.; Arseniev, A.

Citation: Balashova, T.; Shenkarev, Z.; Tagaev, A.; Ovchinnikova, T.; Raap, J.; Arseniev, A.. "NMR Structure of the Channel-Former Zervamicin IIB in Isotropic Solvents" . ., 333-336 (2000).

Assembly members:
Zervamicin IIB, polymer, 17 residues, Formula weight is not available

Natural source: Common Name: Emericellopsis salmosynnemata Taxonomy ID: 118885 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Emericellopsis salmosynnemata

Experimental source: Production method: purified from the natural source Host organism: Emericellopsis salmosynnemata

Entity Sequences (FASTA):
Zervamicin IIB: XWIQXITXLXXQXXXPX

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
coupling_constants
- J_values_set_1

Data type	Count
13C chemical shifts	79
15N chemical shifts	16
1H chemical shifts	114
coupling constants	59

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Zervamicin IIB	1

Entities:

Entity 1, Zervamicin IIB 17 residues - Formula weight is not available

1

ACE

TRP

ILE

GLN

DIV

ILE

THR

AIB

LEU

AIB

2

HYP

GLN

AIB

HYP

AIB

PRO

PHL

Samples:

sample_1: Zervamicin IIB 10 mM

sample_2: Zervamicin IIB, [U-15N], 3 mM

sample_cond_1: pH: 5.8; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
DQF-COSY	not available	not available	sample_cond_1
2D TOCSY	not available	not available	sample_cond_1
2D NOESY	not available	not available	sample_cond_1

Software:

DYANA v1.5 - Structure solution

DISCOVER v3.1 - refinement

NMR spectrometers:

VARIAN UNITY 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts