BMRB Entry 51725

Title:
Ubiquitin-T12C (apo)
Deposition date:
2022-12-09
Original release date:
2023-12-15
Authors:
Hartmann, Philipp; Bohdan, Kostiantyn; Hommrich, Moritz; Julia, Fabio; Vogelsang, Lara; Eirich, Jurgen; Zang, Rene; Fares, Christophe; Julia, Lingnau; Mukhopadhyay, Dwaipayan; Mengeler, Johanna; Vetere, Alessandro; Hinrichs, Heike; Becker, Stefan; Morgner, Nina; Schrader, Wolfgang; Finkemeier, Iris; Dietz, Karl-Josef; Griesinger, Christian; Ritter, Tobias
Citation:

Citation: Hartmann, Philipp; Bohdan, Kostiantyn; Hommrich, Moritz; Julia, Fabio; Vogelsang, Lara; Eirich, Jurgen; Zangl, Rene; Fares, Christophe; Jacobs, Julia Beatrice; Mukhopadhyay, Dwaipayan; Mengeler, Johanna Marie; Vetere, Alessandro; Sterling, Marie Sophie; Hinrichs, Heike; Becker, Stefan; Morgner, Nina; Schrader, Wolfgang; Finkemeier, Iris; Dietz, Karl-Josef; Griesinger, Christian; Ritter, Tobias. "Chemoselective umpolung of thiols to episulfoniums for cysteine bioconjugation"  Nat. Chem. 16, 380-388 (2024).
PubMed: 38123842

Assembly members:

Assembly members:
entity_2, polymer, 76 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: p'AED

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts344
15N chemical shifts78
1H chemical shifts536

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Ubiquitin-T12C1

Entities:

Entity 1, Ubiquitin-T12C 76 residues - Formula weight is not available

1   METGLNILEPHEVALLYSTHRLEUTHRGLY
2   LYSCYSILETHRLEUGLUVALGLUPROSER
3   ASPTHRILEGLUASNVALLYSALALYSILE
4   GLNASPLYSGLUGLYILEPROPROASPGLN
5   GLNARGLEUILEPHEALAGLYLYSGLNLEU
6   GLUASPGLYARGTHRLEUSERASPTYRASN
7   ILEGLNLYSGLUSERTHRLEUHISLEUVAL
8   LEUARGLEUARGGLYGLY

Samples:

sample_1: Human Ubiquitin T12C, [U-100% 13C; U-100% 15N], 0.7 mM; DTT 0.5 mM; sodium phosphate 50 mM; DSS 0.1 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1

Software:

NMRFAM-SPARKY v1.470 - chemical shift assignment

TOPSPIN v3.6 - data collection, 2D-processing

NMRPipe v11 - 3D-Processing

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

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