BMRB Entry 25123

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25123
MolProbity Validation Chart

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Title:
13C,15N solid-state NMR chemical shift assignments for microcrystallized Ubiquitin in MPD
Deposition date:
2014-08-04
Original release date:
2015-02-16
Authors:
Fasshuber, Hannes; Lakomek, Nils-Alexander; Habenstein, Birgit; Loquet, Antoine; Shi, Chaowei; Giller, Karin; Wolff, Sebastian; Becker, Stefan; Lange, Adam
Citation:

Citation: Fasshuber, Hannes; Lakomek, Nils-Alexander; Habenstein, Birgit; Loquet, Antoine; Shi, Chaowei; Giller, Karin; Wolff, Sebastian; Becker, Stefan; Lange, Adam. "Structural heterogeneity in microcrystalline ubiquitin studied by solid-state NMR"  Protein Sci. 24, 592-598 (2015).
PubMed: 25644665

Assembly members:

Assembly members:
Ubiquitin, polymer, 72 residues, 8192.456 Da.

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: pET32a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Ubiquitin: MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLR

Data sets:
Data typeCount
13C chemical shifts337
15N chemical shifts71

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Ubiquitin1

Entities:

Entity 1, Ubiquitin 72 residues - 8192.456 Da.

1   METGLNILEPHEVALLYSTHRLEUTHRGLY
2   LYSTHRILETHRLEUGLUVALGLUPROSER
3   ASPTHRILEGLUASNVALLYSALALYSILE
4   GLNASPLYSGLUGLYILEPROPROASPGLN
5   GLNARGLEUILEPHEALAGLYLYSGLNLEU
6   GLUASPGLYARGTHRLEUSERASPTYRASN
7   ILEGLNLYSGLUSERTHRLEUHISLEUVAL
8   LEUARG

Samples:

Ubiquitin-unif: Ubiquitin, [U-100% 13C; U-100% 15N], 20 mg; MPD 40 % v/v; CdCl2 0.2 M; DSS 1 mg; H2O 100%

Ubiquitin-1glc: Ubiquitin, [1-glucose 13C,U-100% 15N], 30 mg; MPD 40 % v/v; CdCl2 0.2 M; DSS 1 mg; H2O 100%

Ubiquitin-2glc: Ubiquitin, [2-glucose 13C,U-100% 15N], 40 mg; MPD 40 % v/v; CdCl2 0.2 M; DSS 1 mg; H2O 100%

Ubiquitin_conditions_1: pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
PDSDUbiquitin-unifisotropicUbiquitin_conditions_1
PDSDUbiquitin-unifisotropicUbiquitin_conditions_1
NCAUbiquitin-unifisotropicUbiquitin_conditions_1
NCOUbiquitin-unifisotropicUbiquitin_conditions_1
INEPTUbiquitin-unifisotropicUbiquitin_conditions_1
NCACXUbiquitin-unifisotropicUbiquitin_conditions_1
NCOCXUbiquitin-unifisotropicUbiquitin_conditions_1
PDSDUbiquitin-1glcisotropicUbiquitin_conditions_1
PDSDUbiquitin-1glcisotropicUbiquitin_conditions_1
PDSDUbiquitin-1glcisotropicUbiquitin_conditions_1
NCAUbiquitin-1glcisotropicUbiquitin_conditions_1
PDSDUbiquitin-2glcisotropicUbiquitin_conditions_1
PDSDUbiquitin-2glcisotropicUbiquitin_conditions_1
PDSDUbiquitin-2glcisotropicUbiquitin_conditions_1
NCAUbiquitin-2glcisotropicUbiquitin_conditions_1

Software:

X-PLOR_NIH v2.36, Bhattacharya and Montelione, Bruker Biospin, Cornilescu, Delaglio and Bax, Goddard, Schwieters, Kuszewski, Tjandra and Clore - chemical shift assignment, data analysis, processing, refinement, structure validation

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 850 MHz
  • Bruker Avance 600 MHz

Related Database Links:

BMRB 11505 11547 15047 15410 15689 15907 16228 16582 16626 16895 17181 17439 17769 17919 18582 18583 18584 18610 18611 18737 19406 19412 25070 25601 26604 4245 4375
PDB
DBJ BAA03983 BAA09860 BAA11842 BAA11843 BAA23486
EMBL CAA26488 CAA28495 CAA30183 CAA30815 CAA33466
GB AAA02769 AAA28153 AAA28154 AAA28997 AAA28998
PIR I50437 I51568 I65237 JN0790 S13928
PRF 0412265A 1212243A 1212243B 1212243C 1212243D
REF NP_001005123 NP_001006688 NP_001009117 NP_001009202 NP_001009286
SP P0C273 P0C275 P0C276 P0CG47 P0CG48
TPD FAA00319
TPE CEL68433 CEL70397 CEL75964 CEL78064
TPG DAA18802 DAA20663 DAA20672 DAA24675 DAA28295
AlphaFold P0C273 P0C275 P0C276 P0CG47 P0CG48