BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 36081

Title: Retracted state of S65-phosphorylated ubiquitin   PubMed: 28611216

Authors: Dong, X.; Gong, Z.; Qin, L.; Ran, M.; Zhang, C.; Liu, K.; Liu, Z.; Zhang, W.; Tang, C.

Citation: Dong, X.; Gong, Z.; Lu, Y.; Liu, K.; Qin, L.; Ran, M.; Zhang, C.; Liu, Z.; Zhang, W.; Tang, C.. "Ubiquitin S65 phosphorylation engenders a pH-sensitive conformational switch"  Proc. Natl. Acad. Sci. U.S.A. 114, 6770-6775 (2017).

Assembly members:
Polyubiquitin-B, polymer, 76 residues, 8656.811 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli K-12

Entity Sequences (FASTA):
Polyubiquitin-B: MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKEXTLHLVLRLRGG

Data sets:
Data typeCount
13C chemical shifts282
15N chemical shifts65
1H chemical shifts384

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 76 residues - 8656.811 Da.

1   METGLNILEPHEVALLYSTHRLEUTHRGLY
2   LYSTHRILETHRLEUGLUVALGLUPROSER
3   ASPTHRILEGLUASNVALLYSALALYSILE
4   GLNASPLYSGLUGLYILEPROPROASPGLN
5   GLNARGLEUILEPHEALAGLYLYSGLNLEU
6   GLUASPGLYARGTHRLEUSERASPTYRASN
7   ILEGLNLYSGLUSEPTHRLEUHISLEUVAL
8   LEUARGLEUARGGLYGLY

Samples:

sample_1: phosphorylated ubiquitin, [U-98% 13C; U-98% 15N], 0.8 mM; HEPES 20 mM; NaCl 150 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 150 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

CcpNMR, CCPN - chemical shift assignment, peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

  • Bruker AvanceIII 600 MHz
  • Bruker AvanceIII 850 MHz

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