BMRB Entry 20121

Name: Tubulysin conformation bound to tubulin
Published: 2010-07-26

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20121

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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:

Tubulysin conformation bound to tubulin

Deposition date:

2010-02-03

Original release date:

2010-07-26

Authors:

Kubicek, Karel; Grimm, Steffen; Orts, Julien; Sasse, Florenz; Carlomagno, Teresa

Citation:

Citation: Kubicek, Karel; Grimm, S. Kaspar; Orts, Julien; Sasse, Florenz; Carlomagno, Teresa. "The tubulin-bound structure of the antimitotic drug tubulysin." Angew. Chem. Int. Ed. Engl. 49, 4809-4812 (2010).
PubMed: 20496362

Assembly members:

Assembly members:
tubulysin, polymer, 4 residues, 841 Da.

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: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
tubulysin: XIXX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
conformer_family_coord_set
- ensemble_coordinates

Data type	Count
1H chemical shifts	56

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	tubulysin	1

Entities:

Entity 1, tubulysin 4 residues - 841 Da.

1

T23

ILE

TUV

TUT

Samples:

sample_1: tubulysin 0.5 mM; tubulin 0.01 mM; sodium phosphate 1.5 mM; calcium phosphate 1.5 mM; H2O 95%; DMSO 5%

sample_conditions_1: temperature: 298 K; pH: 7.0

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

X-PLOR_NIH v2.31, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

Bruker Avance 900 MHz