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 6457

Title: Validation of Protein Structure from Anisotropic Carbonyl Chemical Shifts in a Dilute Liquid Crystalline Phase

Deposition date: 2005-01-13 Original release date: 2007-03-22

Authors: Cornilescu, Gabriel; Marquardt, John; Ottiger, Marcel; Bax, Ad

Citation: Cornilescu, Gabriel; Marquardt, John; Ottiger, Marcel; Bax, Ad. "Validation of Protein Structure from Anisotropic Carbonyl Chemical Shifts in a Dilute Liquid Crystalline Phase"  J. Am. Chem. Soc. 120, 6836-6837 (1998).

Assembly members:
Ubiquitin, polymer, 76 residues, 8579.94 Da.

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

Experimental source:   Production method: recombinant technology

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

Data sets:
Data typeCount
13C chemical shifts342
15N chemical shifts83
1H chemical shifts497

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Ubiquitin1

Entities:

Entity 1, Ubiquitin 76 residues - 8579.94 Da.

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

Samples:

sample_1: Ubiquitin, [U-13C; U-15N], 0.7 mM; phosphate 10 mM; H20 93%; D20 7%; DMPC:DHPC(3:1) 5 w/v

conditions_292K: pH: 6.6; temperature: 292 K

conditions_298K: pH: 6.6; temperature: 298 K

conditions_304K: pH: 6.6; temperature: 304 K

Experiments:

NameSampleSample stateSample conditions
2D H(N)COsample_1not availablenot available
1H15N_HSQCsample_1not availablenot available

Software:

No software information available

NMR spectrometers:

  • . . 600 MHz

Related Database Links:

BMRB 11505 11547 15047 15410 15689 15866 15907 16228 16582 16626 16763 16880 16885 16895 17059 17181 17239 17333 17439 17769 17919 18582 18583 18584 18610 18611 18737 19394 19399 19406 19412 19447 25070 25230 4245 4375 4983 5101 5387 6466 6470 6488 68 7111
PDB
DBJ BAA03983 BAA09860 BAA11842 BAA11843 BAA23486
EMBL CAA25706 CAA26488 CAA28495 CAA30183 CAA30815
GB AAA02769 AAA28154 AAA28997 AAA28998 AAA28999
PIR I50437 I51568 I65237 JN0790 S13928
PRF 0412265A 1101405A 1212243A 1212243B 1212243C
REF NP_001005123 NP_001006688 NP_001009117 NP_001009202 NP_001009286
SP P0C273 P0C275 P0C276 P0CG47 P0CG48
TPD FAA00319
TPG DAA18802 DAA20663 DAA20672 DAA24675 DAA28295

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts