BMRB Entry 18831

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18831
MolProbity Validation Chart

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Title:
Solution structure of U14Ub1, an engineered ubiquitin variant with increased affinity for USP14
Deposition date:
2012-11-08
Original release date:
2013-06-24
Authors:
Phillips, Aaron; Fairbrother, Wayne; Corn, Jacob
Citation:

Citation: Phillips, Aaron; Zhang, Yingnan; Cunningham, Christian; Zhou, Lijuan; Forrest, William; Liu, Peter; Steffek, Micah; Lee, James; Tam, Christine; Helgason, Elizabeth; Murray, Jeremy; Kirkpatrick, Donald; Fairbrother, Wayne; Corn, Jacob. "Conformational dynamics control ubiquitin-deubiquitinase interactions and influence in vivo signaling."  Proc. Natl. Acad. Sci. U.S.A. 110, 11379-11384 (2013).
PubMed: 23801757

Assembly members:

Assembly members:
entity, polymer, 78 residues, 8565.851 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-based

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GSMQIFVKGLTGKTTTLEVE PSDTIENVKAKIQDKTGLPP DQQRLIFAGKQLEDGRTLSD YNIQKESTLHIVWRLRGG

Data sets:
Data typeCount
13C chemical shifts328
15N chemical shifts70
1H chemical shifts518

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1U14Ub11

Entities:

Entity 1, U14Ub1 78 residues - 8565.851 Da.

1   GLYSERMETGLNILEPHEVALLYSGLYLEU
2   THRGLYLYSTHRTHRTHRLEUGLUVALGLU
3   PROSERASPTHRILEGLUASNVALLYSALA
4   LYSILEGLNASPLYSTHRGLYLEUPROPRO
5   ASPGLNGLNARGLEUILEPHEALAGLYLYS
6   GLNLEUGLUASPGLYARGTHRLEUSERASP
7   TYRASNILEGLNLYSGLUSERTHRLEUHIS
8   ILEVALTRPARGLEUARGGLYGLY

Samples:

sample_1: U14Ub1, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 25 mM; sodium chloride 125 mM; H2O 90%; D2O 10%

sample_2: U14Ub1, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 25 mM; sodium chloride 125 mM; D2O 100%

sample_conditions_1: ionic strength: 0.16 M; pH: 7.5; pressure: 1 atm; temperature: 297 K

Experiments:

NameSampleSample stateSample conditions
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

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