BMRB Entry 16228

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16228

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Title:
1H, 13C, and 15N chemical shift assignments for stereo-array labeled (SAIL) ubiquitin
Deposition date:
2009-03-27
Original release date:
2009-07-17
Authors:
Ikeya, Teppei; Takeda, Mitsuhiro; Yoshida, Hitoshi; Terauchi, Tsutomu; Jee, Jun-Goo; Kainosho, Masatsune; Guntert, Peter
Citation:

Citation: Ikeya, Teppei; Takeda, Mitsuhiro; Yoshida, Hitoshi; Terauchi, Tsutomu; Jee, Jun-Goo; Kainosho, Masatsune; Guntert, Peter. "Automated NMR structure determination of stereo-array isotope labeled ubiquitin from minimal sets of spectra using the SAIL-FLYA system"  J. Biomol. NMR. 44, 261-272 (2009).
PubMed: 19597942

Assembly members:

Assembly members:
ubiquitin, polymer, 76 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Chlorella vulgaris   Taxonomy ID: 3077   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Chlorella vulgaris

Experimental source:

Experimental source:   Production method: cell free synthesis   Host organism: Escherichia coli   Vector: N.N.

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ubiquitin: MQIFVKTLTGKTITLEVESS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLADYN IQKESTLHLVLRLRGG

Data sets:
Data typeCount
13C chemical shifts323
15N chemical shifts80
1H chemical shifts412

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1ubiquitin1

Entities:

Entity 1, ubiquitin 76 residues - Formula weight is not available

1   METGLNILEPHEVALLYSTHRLEUTHRGLY
2   LYSTHRILETHRLEUGLUVALGLUSERSER
3   ASPTHRILEGLUASNVALLYSALALYSILE
4   GLNASPLYSGLUGLYILEPROPROASPGLN
5   GLNARGLEUILEPHEALAGLYLYSGLNLEU
6   GLUASPGLYARGTHRLEUALAASPTYRASN
7   ILEGLNLYSGLUSERTHRLEUHISLEUVAL
8   LEUARGLEUARGGLYGLY

Samples:

sample_1: ubiquitin, Stereo-array isotope labeling (SAIL), 0.1 mM; sodium phosphate 10 mM; sodium azide 0.01%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.06 M; pH: 6.6; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
HB(CBCG)HEsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

ANSIG v3.3, Kraulis - chemical shift assignment

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links:

BMRB 15047 15410 15907 16582 16626 17181 17439 17769 17919 18582 18583 18584 18610 18611 18737 19406 19412 25070 25123 26604 4245 4375
PDB
DBJ BAA02154 BAA03764 BAA03983 BAA05085 BAA05670
EMBL CAA10056 CAA11268 CAA11269 CAA25706 CAA28495
GB AAA19247 AAA28997 AAA28998 AAA28999 AAA29001
PIR G85036 I50437 I51568 I65237 JS0657
PRF 1101405A 1207189A 1212243A 1212243C 1212243J
REF NP_001005123 NP_001006688 NP_001009117 NP_001009286 NP_001013290
SP B9DHA6 P0C273 P0C275 P0C276 P0CG47
TPD FAA00319
TPE CAI56329
TPG DAA18802 DAA24675 DAA28295 DAA39608 DAA44269
AlphaFold B9DHA6 P0C273 P0C275 P0C276 P0CG47

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CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks