BMRB Entry 27589

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27589

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Title:
Assignment of crystalline E.coli asparaginase II (ANSII) by solid-state NMR
Deposition date:
2018-08-24
Original release date:
2018-11-28
Authors:
Cerofolini, Linda; Giuntini, Stefano; Carlon, Azzurra; Ravera, Enrico; Calderone, Vito; Fragai, Marco; Parigi, Giacomo; Luchinat, Claudio
Citation:

Citation: Cerofolini, Linda; Giuntini, Stefano; Carlon, Azzurra; Ravera, Enrico; Calderone, Vito; Fragai, Marco; Parigi, Giacomo; Luchinat, Claudio. "Characterization of PEGylated asparaginase: new opportunities from NMR analysis of large pegylated therapeutics"  Chemistry 25, 1984-1991 (2019).
PubMed: 30462348

Assembly members:

Assembly members:
ANSII, polymer, 326 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-21a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ANSII: LPNITILATGGTIAGGGDSA TKSNYTVGKVGVENLVNAVP QLKDIANVKGEQVVNIGSQD MNDNVWLTLAKKINTDCDKT DGFVITHGTDTMEETAYFLD LTVKCDKPVVMVGAMRPSTS MSADGPFNLYNAVVTAADKA SANRGVLVVMNDTVLDGRDV TKTNTTDVATFKSVNYGPLG YIHNGKIDYQRTPARKHTSD TPFDVSKLNELPKVGIVYNY ANASDLPAKALVDAGYDGIV SAGVGNGNLYKSVFDTLATA AKTGTAVVRSSRVPTGATTQ DAEVDDAKYGFVASGTLNPQ KARVLLQLALTQTKDPQQIQ QIFNQY

Data sets:
Data typeCount
13C chemical shifts676
15N chemical shifts198
1H chemical shifts195

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1ANSII, chain A1
2ANSII, chain B1
3ANSII, chain C1
4ANSII, chain D1

Entities:

Entity 1, ANSII, chain A 326 residues - Formula weight is not available

1   LEUPROASNILETHRILELEUALATHRGLY
2   GLYTHRILEALAGLYGLYGLYASPSERALA
3   THRLYSSERASNTYRTHRVALGLYLYSVAL
4   GLYVALGLUASNLEUVALASNALAVALPRO
5   GLNLEULYSASPILEALAASNVALLYSGLY
6   GLUGLNVALVALASNILEGLYSERGLNASP
7   METASNASPASNVALTRPLEUTHRLEUALA
8   LYSLYSILEASNTHRASPCYSASPLYSTHR
9   ASPGLYPHEVALILETHRHISGLYTHRASP
10   THRMETGLUGLUTHRALATYRPHELEUASP
11   LEUTHRVALLYSCYSASPLYSPROVALVAL
12   METVALGLYALAMETARGPROSERTHRSER
13   METSERALAASPGLYPROPHEASNLEUTYR
14   ASNALAVALVALTHRALAALAASPLYSALA
15   SERALAASNARGGLYVALLEUVALVALMET
16   ASNASPTHRVALLEUASPGLYARGASPVAL
17   THRLYSTHRASNTHRTHRASPVALALATHR
18   PHELYSSERVALASNTYRGLYPROLEUGLY
19   TYRILEHISASNGLYLYSILEASPTYRGLN
20   ARGTHRPROALAARGLYSHISTHRSERASP
21   THRPROPHEASPVALSERLYSLEUASNGLU
22   LEUPROLYSVALGLYILEVALTYRASNTYR
23   ALAASNALASERASPLEUPROALALYSALA
24   LEUVALASPALAGLYTYRASPGLYILEVAL
25   SERALAGLYVALGLYASNGLYASNLEUTYR
26   LYSSERVALPHEASPTHRLEUALATHRALA
27   ALALYSTHRGLYTHRALAVALVALARGSER
28   SERARGVALPROTHRGLYALATHRTHRGLN
29   ASPALAGLUVALASPASPALALYSTYRGLY
30   PHEVALALASERGLYTHRLEUASNPROGLN
31   LYSALAARGVALLEULEUGLNLEUALALEU
32   THRGLNTHRLYSASPPROGLNGLNILEGLN
33   GLNILEPHEASNGLNTYR

Samples:

sample_1: ANSII, [U-100% 2H; U-100% 13C; U-100% 15N], 2 mg

sample_2: ANSII, [U-100% 2H; Lys U-100% 1H, 13C, 15N], 10 mg

sample_conditions_1: ionic strength: 0 M; pH: 7.5; pressure: 1 atm; temperature: 280 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N CP-HSQCsample_1isotropicsample_conditions_1
3D (H)CONHsample_1isotropicsample_conditions_1
3D (H)CO(CA)NHsample_1isotropicsample_conditions_1
3D (H)CANHsample_1isotropicsample_conditions_1
3D (H)CA(CO)NHsample_1isotropicsample_conditions_1
3D (H)(CA)CB(CA)NHsample_1isotropicsample_conditions_1
3D (H)(CA)CB(CACO)NHsample_1isotropicsample_conditions_1
2D 13C-15N NCAsample_2isotropicsample_conditions_1
2D 13C-13C DARRsample_2isotropicsample_conditions_1
3D NCACXsample_2isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

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

CARA, Keller and Wuthrich - chemical shift assignment, data analysis

NMR spectrometers:

  • Bruker AvanceII wide-bore 850 MHz
  • Bruker AvanceIII narrow-bore 800 MHz

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