BMRB Entry 53316

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53316

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Title:
Backbone and Methyl assignment of an active PETase
Deposition date:
2025-08-13
Original release date:
2025-11-11
Authors:
Grga, Jelena; Boll, Emmanuelle; Lippens, Guy; Charlier, Cyril
Citation:

Citation: Greg, Jelena; Boll, Emmanuelle; Lippens, Guy; Charlier, Cyril. "Backbone and Methyl resonance assignment of an active PETase"  Biomol. NMR Assign. 20, 3-3 (2025).
PubMed: 41191196

Assembly members:

Assembly members:
entity_1, polymer, 258 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: pET26b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SNPYQRGPNPTRSALTADGP FSVATYTVSRLSVSGFGGGV IYYPTGTSLTFGGIAMSPGY TADASSLAWLGRRLASHGFV VLVINTNSRFDGPDSRASQL SAALNYLRTSSPSAVRARLD ANRLAVAGHSMGGGGTLRIA EQNPSLKAAVPLTPWHTDKT FNTSVPVLIVGAEADTVAPV SQHAIPFYQNLPSTTPKVYV ELCNASHIAPNSNNAAISVY TISWMKLWVDNDTRYRQFLC NVNDPALCDFRTNNRHCQ

Data sets:
Data typeCount
13C chemical shifts718
15N chemical shifts201
1H chemical shifts540

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1LCC-ICCG1

Entities:

Entity 1, LCC-ICCG 258 residues - Formula weight is not available

1   SERASNPROTYRGLNARGGLYPROASNPRO
2   THRARGSERALALEUTHRALAASPGLYPRO
3   PHESERVALALATHRTYRTHRVALSERARG
4   LEUSERVALSERGLYPHEGLYGLYGLYVAL
5   ILETYRTYRPROTHRGLYTHRSERLEUTHR
6   PHEGLYGLYILEALAMETSERPROGLYTYR
7   THRALAASPALASERSERLEUALATRPLEU
8   GLYARGARGLEUALASERHISGLYPHEVAL
9   VALLEUVALILEASNTHRASNSERARGPHE
10   ASPGLYPROASPSERARGALASERGLNLEU
11   SERALAALALEUASNTYRLEUARGTHRSER
12   SERPROSERALAVALARGALAARGLEUASP
13   ALAASNARGLEUALAVALALAGLYHISSER
14   METGLYGLYGLYGLYTHRLEUARGILEALA
15   GLUGLNASNPROSERLEULYSALAALAVAL
16   PROLEUTHRPROTRPHISTHRASPLYSTHR
17   PHEASNTHRSERVALPROVALLEUILEVAL
18   GLYALAGLUALAASPTHRVALALAPROVAL
19   SERGLNHISALAILEPROPHETYRGLNASN
20   LEUPROSERTHRTHRPROLYSVALTYRVAL
21   GLULEUCYSASNALASERHISILEALAPRO
22   ASNSERASNASNALAALAILESERVALTYR
23   THRILESERTRPMETLYSLEUTRPVALASP
24   ASNASPTHRARGTYRARGGLNPHELEUCYS
25   ASNVALASNASPPROALALEUCYSASPPHE
26   ARGTHRASNASNARGHISCYSGLN

Samples:

sample_1: LCC-ICCG, [U-100% 13C; U-100% 15N], 600 uM; TSP 1 mM; D2O 5%

sample_conditions_1: ionic strength: 100 mM; pH: 7.5; pressure: 1 atm; temperature: 333 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HBHANHsample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection

NMR spectrometers:

  • Bruker AVANCE NEO 800 MHz

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