BMRB Entry 15687

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15687
MolProbity Validation Chart

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Title:
Automated NMR Structure of the TA0895 by FAPSY
Deposition date:
2008-03-21
Original release date:
2012-08-14
Authors:
Lee, Woonghee; Jung, Jin-Won; Lee, Weontae
Citation:

Citation: Lee, Woonghee; Jung, Jin-Won; Lee, Weontae. "The Automated Suite for Protein Structure Determination by NMR Spectroscopy"  .

Assembly members:

Assembly members:
TA0895, polymer, 90 residues, 10231.843 Da.

Natural source:

Natural source:   Common Name: THERMOPLASMA ACIDOPHILUM   Taxonomy ID: 2303   Superkingdom: Archaea   Kingdom: not available   Genus/species: THERMOPLASMA ACIDOPHILUM

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: ESCHERICHIA COLI   Vector: PET

Entity Sequences (FASTA):

Entity Sequences (FASTA):
TA0895: MVTVRYYATLRPITKKKEET FNGISKISELLERLKVEYGS EFTKQMYDGNNLFKNVIILV NGNNITSMKGLDTEIKDDDK IDLFPPVAGG

Data sets:
Data typeCount
13C chemical shifts273
15N chemical shifts83
1H chemical shifts530

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1TA08951

Entities:

Entity 1, TA0895 90 residues - 10231.843 Da.

1   METVALTHRVALARGTYRTYRALATHRLEU
2   ARGPROILETHRLYSLYSLYSGLUGLUTHR
3   PHEASNGLYILESERLYSILESERGLULEU
4   LEUGLUARGLEULYSVALGLUTYRGLYSER
5   GLUPHETHRLYSGLNMETTYRASPGLYASN
6   ASNLEUPHELYSASNVALILEILELEUVAL
7   ASNGLYASNASNILETHRSERMETLYSGLY
8   LEUASPTHRGLUILELYSASPASPASPLYS
9   ILEASPLEUPHEPROPROVALALAGLYGLY

Samples:

sample_1: TA0895, [U-95% 13C; U-95% 15N], 1.5 mM

sample_conditions_1: ionic strength: 0.025 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert P. - refinement

NMR spectrometers:

  • Bruker DRX 500 MHz
  • Varian INOVA 600 MHz

Related Database Links:

PDB
EMBL CAC12024
REF WP_010901305

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks