BMRB Entry 16956

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16956
MolProbity Validation Chart

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Title:
NMR assignments of 1H, 13C, 15N resonance in C-terminal subunit from Azotobacter vinelandii mannronan C5-epimerase 6 (AlgE6R3)
Deposition date:
2010-05-26
Original release date:
2010-08-19
Authors:
Buchinger, Edith; Skjaak-Braek, Gudmund; Valla, Svein; Wimmer, Reinhard; Aachmann, Finn
Citation:

Citation: Buchinger, Edith; Skjak-Braek, Gudmund; Valla, Svein; Wimmer, Reinhard; Aachmann, Finn. "NMR assignments of (1)H, (13)C and (15)N resonances of the C-terminal subunit from Azotobacter vinelandii mannuronan C5-epimerase 6 (AlgE6R3)."  Biomol. NMR Assignments 5, 27-29 (2011).
PubMed: 20711760

Assembly members:

Assembly members:
AlgE6R3, polymer, 181 residues, Formula weight is not available
CA, non-polymer, Formula weight is not available

Natural source:

Natural source:   Common Name: A. vinelandii   Taxonomy ID: 354   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Azotobacter vinelandii

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pFA13

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AlgE6R3: ADPGVEGTPVVGSDLDDELH GTLGSEQILGGGGADQLYGY AGNDLLDGGAGRDKLSGGEG ADTFRFALREDSHRSPLGTF GDRILDFDPSQDRIDVSALG FSGLGNGYAGSLAVSVSDDG TRTYLKSYEADAQGLSFEVA LEGDHAAALSADNIVFAATD AAAAGELGVIGASGQPDDPT V

Data sets:
Data typeCount
13C chemical shifts664
15N chemical shifts175
1H chemical shifts1066

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1AlgE6R31
2metal ions2

Entities:

Entity 1, AlgE6R3 181 residues - Formula weight is not available

1   ALAASPPROGLYVALGLUGLYTHRPROVAL
2   VALGLYSERASPLEUASPASPGLULEUHIS
3   GLYTHRLEUGLYSERGLUGLNILELEUGLY
4   GLYGLYGLYALAASPGLNLEUTYRGLYTYR
5   ALAGLYASNASPLEULEUASPGLYGLYALA
6   GLYARGASPLYSLEUSERGLYGLYGLUGLY
7   ALAASPTHRPHEARGPHEALALEUARGGLU
8   ASPSERHISARGSERPROLEUGLYTHRPHE
9   GLYASPARGILELEUASPPHEASPPROSER
10   GLNASPARGILEASPVALSERALALEUGLY
11   PHESERGLYLEUGLYASNGLYTYRALAGLY
12   SERLEUALAVALSERVALSERASPASPGLY
13   THRARGTHRTYRLEULYSSERTYRGLUALA
14   ASPALAGLNGLYLEUSERPHEGLUVALALA
15   LEUGLUGLYASPHISALAALAALALEUSER
16   ALAASPASNILEVALPHEALAALATHRASP
17   ALAALAALAALAGLYGLULEUGLYVALILE
18   GLYALASERGLYGLNPROASPASPPROTHR
19   VAL

Entity 2, metal ions - Formula weight is not available

1   CA

Samples:

sample_1: AlgE6R3, [U-13C; U-15N], 0.15 mM; HEPES 20 mM; CaCl2 25 mM; H20 90%; D20 10%

sample_2: AlgE6R3, [U-13C; U-15N], 0,15 mM; HEPES 20 mM; CaCl2 25 mM; D20 100%

sample_3: AlgE6R3, [U-13C; U-15N], 0,15 mM; HEPES, [U-2H], 20 mM; CaCl2 25 mM; D20 100%

sample_conditions_1: pH: 6.9; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNHAHBsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_3isotropicsample_conditions_1

Software:

CARA, Keller and Wuthrich - chemical shift assignment

xwinnmr v3.5, Bruker Biospin - collection, processing

TOPSPIN v1.3, Bruker Biospin - chemical shift assignment, collection

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker DRX 600 MHz

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