BMRB Entry 21097

Title:
Structure of fungicidal Amphotericin B Sponge
Deposition date:
2021-04-23
Original release date:
2021-09-28
Authors:
Lewandowska, Agnieszka; Soutar, Corinne; Greenwood, Alexander; Nimerovsky, Evgeny; De Lio, Ashley; Holler, Jordan; Hisao, Grant; Khandelwal, Anuj; Zhang, Jiabao; SantaMaria, Anna; Schwieters, Charles; Pogorelov, Taras; Burke, Martin; Rienstra, Chad
Citation:

Citation: Lewandowska, Agnieszka; Soutar, Corinne; Greenwood, Alexander; Nimerovsky, Evgeny; De Lio, Ashley; Holler, Jordan; Hisao, Grant; Khandelwal, Anuj; Zhang, Jiabao; SantaMaria, Anna; Schwieters, Charles; Pogorelov, Taras; Burke, Martin; Rienstra, Chad. "Fungicidal Amphotericin B Sponges are Assemblies of Staggered Asymmetric Head-to-Tail Homodimers Encasing Large Void Volumes"  Nat. Struct. Mol. Biol. ., .-..

Assembly members:

Assembly members:
AmB, non-polymer, Formula weight is not available

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts66

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1AMFA1
2AMFB1

Entities:

Entity 1, AMFA 1 residues - Formula weight is not available

1   UVR

Samples:

U13C_AmB: Amphotericin B, [U-13C], 100 ± 2 %

20_U13C_AmB: Amphotericin B U-13C, [U-13C], 20 ± 2 %; Amphotericin B NA 80 ± 2 %

skip13C_AmB: Amphotericin B, skip-13C, 100 ± 2 %

AmB_100_U-13C: pH: 7; temperature: 273.15 K

AmB_20_U-13C: pH: 7; temperature: 273.15 K

AmB_skip-13C: pH: 7; temperature: 273.15 K

Experiments:

NameSampleSample stateSample conditions
2D 13C-13C SPC q60U13C_AmBisotropicAmB_100_U-13C
2D 13C-13C SPC DARR 50 msU13C_AmBisotropicAmB_100_U-13C
2D 13C-13C SPC DARR 100 msU13C_AmBisotropicAmB_100_U-13C
2D 13C-13C SPC DARR 200 msU13C_AmBisotropicAmB_100_U-13C
2D 13C-13C SPC DARR 500 msskip13C_AmBisotropicAmB_skip-13C
2D 13C-13C SPC DARR 900 msU13C_AmBisotropicAmB_100_U-13C
2D 13C-13C SPC DARR 1000 msskip13C_AmBisotropicAmB_skip-13C
2D 13C-13C SPC DARR 1500 msskip13C_AmBisotropicAmB_skip-13C
2D 13C-13C SPC PAR 5.5 msU13C_AmBisotropicAmB_100_U-13C
2D 13C-13C SPC PAR 11 msU13C_AmBisotropicAmB_100_U-13C
3D 13C-13C-13C SPC5 DARR 200 msU13C_AmBisotropicAmB_100_U-13C
3D 13C-13C-13C SPC5 PAR 11 msU13C_AmBisotropicAmB_100_U-13C
2D 14N-13C PM-RESPDORskip13C_AmBisotropicAmB_skip-13C
2D 13C-13C PAR DIL 11 ms20_U13C_AmBisotropicAmB_20_U-13C

Software:

NMRPipe, Frank Delaglio, Stephan Grzesiek, Geerten. W. Vuister, Guang Zhu, John. Pfeifer, and Ad Bax, J. Biomol. NMR. 6, 277-293 (1995). - processing

NMRFAM-SPARKY, Lee W, Tonelli M, Markley JL. Bioinformatics. 2015 Apr 15; 31(8):1325-7. Epub 2014 - data analysis

VnmrJ, Agilent Technologies, Inc. 2014 - collection

SpinSight, Agilent Technologies, Inc. 2014 - collection

XPLOR-NIH v2.53, Schwieters, C. D., Kuszewski, J. J. & Marius Clore, G. Progress in Nuclear Magnetic Resonance Spectroscopy (2006) - structure calculations

Matlab, MATLAB R2015a. (2015). - geometry optimization

NMR spectrometers:

  • Varian VNMRS 750 MHz
  • Varian InfinityPlus 600 MHz
  • Varian InfinityPlus 600 MHz