BMRB Entry 15061

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15061

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Title:
NMR assignment of a KlbA intein precursor from Methanococcus jannaschii
Deposition date:
2006-11-30
Original release date:
2007-06-26
Authors:
Johnson, Margaret; Maurice, Southworth; Francine, Perler; Kurt, Wuthrich
Citation:

Citation: Johnson, Margaret; Southworth, Maurice; Perler, Francine; Wuthrich, Kurt. "NMR assignment of a KlbA intein precursor from Methanococcus jannaschii"  Biomol. NMR Assignments 1, 19-21 (2007).
PubMed: 19636816

Assembly members:

Assembly members:
intein_precursor_polypeptide, polymer, 186 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: 2190   Superkingdom: Archaea   Kingdom: not available   Genus/species: Methanocaldococcus jannaschii

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pMjaKlbA

Entity Sequences (FASTA):

Entity Sequences (FASTA):
intein_precursor_polypeptide: MNTGHDGALAYDEPIYLSDG NIINIGEFVDKFFKKYKNSI KKEDNGFGWIDIGNENIYIK SFNKLSLIIEDKRILRVWRK KYSGKLIKITTKNRREITLT HDHPVYISKTGEVLEINAEM VKVGDYIYIPKNNTINLDEV IKVETVDYNGHIYDLTVEDN HTYIAGKNEGFAVSASSGTL HHHHHH

Data sets:
Data typeCount
13C chemical shifts788
15N chemical shifts194
1H chemical shifts1311

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1intein precursor polypeptide1

Entities:

Entity 1, intein precursor polypeptide 186 residues - Formula weight is not available

1   METASNTHRGLYHISASPGLYALALEUALA
2   TYRASPGLUPROILETYRLEUSERASPGLY
3   ASNILEILEASNILEGLYGLUPHEVALASP
4   LYSPHEPHELYSLYSTYRLYSASNSERILE
5   LYSLYSGLUASPASNGLYPHEGLYTRPILE
6   ASPILEGLYASNGLUASNILETYRILELYS
7   SERPHEASNLYSLEUSERLEUILEILEGLU
8   ASPLYSARGILELEUARGVALTRPARGLYS
9   LYSTYRSERGLYLYSLEUILELYSILETHR
10   THRLYSASNARGARGGLUILETHRLEUTHR
11   HISASPHISPROVALTYRILESERLYSTHR
12   GLYGLUVALLEUGLUILEASNALAGLUMET
13   VALLYSVALGLYASPTYRILETYRILEPRO
14   LYSASNASNTHRILEASNLEUASPGLUVAL
15   ILELYSVALGLUTHRVALASPTYRASNGLY
16   HISILETYRASPLEUTHRVALGLUASPASN
17   HISTHRTYRILEALAGLYLYSASNGLUGLY
18   PHEALAVALSERALASERSERGLYTHRLEU
19   HISHISHISHISHISHIS

Samples:

sample_1: intein precursor polypeptide, [U-98% 15N], 2 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 2 mM

sample_2: intein precursor polypeptide, [U-98% 13C; U-98% 15N], 2 mM; sodium phosphate 20 mM; sodium chloride 100 mM; sodium azide 2 mM

sample_conditions_1: ionic strength: 0.12 M; pH: 5.3; pressure: 1 atm; temperature: 308 K

sample_conditions_2: ionic strength: 0.12 M; pH: 5.3; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_2
3D HNCAsample_2isotropicsample_conditions_2
3D HNCACBsample_2isotropicsample_conditions_2
3D CBCA(CO)NHsample_2isotropicsample_conditions_2
3D HBHA(CO)NHsample_2isotropicsample_conditions_2
3D HNCOsample_2isotropicsample_conditions_2
3D H(CCO)NHsample_2isotropicsample_conditions_2
3D HCCH-TOCSYsample_2isotropicsample_conditions_2
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_2
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_2

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - data analysis

XEASY, Bartels et al. - chemical shift assignment

CARA, Keller and Wuthrich - chemical shift assignment

ATHNOS-CANDID v1.2, Herrmann, Guntert and Wuthrich - structure solution

OPAL, Luginbuhl, Guntert, Billeter and Wuthrich - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker DRX 700 MHz
  • Bruker DRX 800 MHz

Related Database Links:

PDB
GB AAB98770
SP Q58191
AlphaFold Q58191

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