BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 15907

Title: 1J coupling constants related to the Ca carbons in human Ubiquitin   PubMed: 18853398

Authors: Schmidt, Jurgen; Lohr, Frank

Citation: Schmidt, Jurgen; Howard, Mark; Maestre-Martinez, Mitcheell; Perez, Carlos; Lohr, Frank. "Variation in protein C(alpha)-related one-bond J couplings"  Magn. Reson. Chem. 47, 16-30 (2009).

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 constants265

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:

doubly_labeled_His: Ubiquitin, [U-95% 13C; U-95% 15N], 1 mM; TRIS 30 mM; sodium chloride 150 mM; D2O, [U-2H], 5%; H2O 95%

doubly_labeled: Ubiquitin 0.85 mM; potassium phosphate 25 mM; sodium chloride 100 mM; D2O, [U-2H], 5%; H2O 95%

triply_labeled: 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: 7.6; pressure: 1 atm; temperature: 300 K

sample_conditions_2: pH: 6.4; pressure: 1 atm; temperature: 300 K

sample_conditions_3: pH: 6.0; pressure: 1 atm; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
3D Ca-coupled [15N,1H]-TROSY-HNCOdoubly_labeled_Hisisotropicsample_conditions_1
2D HN(COCA-J)doubly_labeledisotropicsample_conditions_2
3D Cb-coupled [15N,1H]-TROSY-HN(CO)CAtriply_labeledisotropicsample_conditions_3
2D IPAP-type HN(CO-a/b-NCa-J)-TROSYdoubly_labeled_Hisisotropicsample_conditions_1
3D Ha-coupled ct-[15N,1H]-TROSY-HN(CO)CAdoubly_labeled_Hisisotropicsample_conditions_1
3D 1Ha-13Ca multiple-quantum HCAN quantitative J correlationdoubly_labeled_Hisisotropicsample_conditions_1

Software:

xwinnmr, Bruker Biospin - collection, processing

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

NMR spectrometers:

  • Bruker DRX 500 MHz
  • Bruker DRX 600 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz
  • Varian INOVA 600 MHz

Related Database Links:

BMRB 11505 11547 15047 15410 15689 16228 16582 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