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 16582

Title: 2J coupling constants in human Ubiquitin   PubMed: 20131375

Deposition date: 2009-10-25 Original release date: 2010-02-08

Authors: Schmidt, Jurgen; Lohr, Frank

Citation: Schmidt, Jurgen; Hua, Yixun; Lohr, Frank. "Correlation of (2)J couplings with protein secondary structure."  Proteins 78, 1544-1562 (2010).

Assembly members:
Ubiquitin, polymer, 76 residues, 8565.2 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

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

Data sets:
Data typeCount
coupling constants643

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1protein1

Entities:

Entity 1, protein 76 residues - 8565.2 Da.

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

Samples:

sample_1: Ubiquitin 1.0 mM; HEPES 50 mM; D2O, [U-2H], 10%; H2O 90%

sample_2: Ubiquitin, [U-100% 13C; U-100% 15N; 70% 2H], 1.2 mM; potassium phosphate 50 mM; D2O, [U-2H], 5%; H2O 95%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

sample_conditions_2: pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D Ca-coupled [15N,1H]-TROSY-HNCOsample_2isotropicsample_conditions_2
2D IPAP-type HN(CO-a/b-NCa-J)-TROSYsample_2isotropicsample_conditions_2
2D IPAP-type HN(a/b-NCO-J)-TROSYsample_2isotropicsample_conditions_2
3D Ha-coupled [15N,1H]-TROSY-iHNCAsample_1isotropicsample_conditions_1
3D Cb-coupled [15N,1H]-TROSY-iHNCAsample_1isotropicsample_conditions_1
3D Ha-coupled [15N,1H]-TROSY-H(N)COCAsample_1isotropicsample_conditions_1
3D Cb-coupled [15N,1H]-TROSY-H(N)COCAsample_1isotropicsample_conditions_1
2D Cb-coupled [13C,1H]-HSQCsample_1isotropicsample_conditions_1
2D CO-coupled ct-[13C,1H]-HSQCsample_1isotropicsample_conditions_1
3D CO-coupled ct-[15N,1H]-TROSY-HNCAsample_2isotropicsample_conditions_2

Software:

xwinnmr, Bruker Biospin - collection, processing

jeval, JM Schmidt - coupling constant extraction, data analysis, multiplet simulation

NMR spectrometers:

  • Bruker DRX 500 MHz
  • Bruker Avance 500 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 900 MHz
  • Bruker Avance 950 MHz

Related Database Links:

BMRB 11505 11547 15047 15410 15689 15907 16228 16626 16895 17181 17439 17769 17919 18582 18583 18584 18610 18611 18737 19406 19412 25070 25123 25601 26604 4245 4375
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
TPE CEL68433 CEL70397 CEL75964 CEL78064
TPG DAA18802 DAA20663 DAA20672 DAA24675 DAA28295