BMRB Entry 18861
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PDB ID:
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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Title: NMR Structure of Antiamoebin I (peptaibol antibiotic) bound to DMPC/DHPC bicelles PubMed: 23681729
Deposition date: 2012-11-27 Original release date: 2012-12-04
Authors: Shenkarev, Zakhar; Paramonov, Alexander; Gizatullina, Albina
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).
Assembly members:
ANTIAMOEBIN_I, polymer, 17 residues, 1628.970 Da.
Natural source: Common Name: Emericellopsis minima Taxonomy ID: 45245 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Emericellopsis Minima
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
ANTIAMOEBIN_I: XFXXXXGLXXXQXXXPX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 64 |
| 15N chemical shifts | 14 |
| 1H chemical shifts | 113 |
Additional metadata:
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 | AIB | AIB | DIV | GLY | LEU | AIB | 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
Related Database Links:
| PDB |
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