BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 26717

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26717

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Title: Backbone and side-chain 1H, 13C, and 15N chemical shift assignments for the lytic polysaccharide monooxygenase NcLPMO9C   PubMed: 27147444

Deposition date: 2015-12-11 Original release date: 2016-04-25

Authors: Courtade, Gaston; Wimmer, Reinhard; Aachmann, Finn

Citation: Courtade, Gaston; Wimmer, Reinhard; Sandgren, Mats; Eijsink, Vincent; Aachmann, Finn. "Backbone and side-chain (1)H, (13)C, and (15)N chemical shift assignments for the apo-form of the lytic polysaccharide monooxygenase NcLPMO9C"  Biomol. NMR Assign. 10, 277-280 (2016).

Assembly members:
NcLPMO9C, polymer, 227 residues, Formula weight is not available

Natural source:   Common Name: ascomycetes   Taxonomy ID: 5141   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Neurospora crassa

Experimental source:   Production method: recombinant technology   Host organism: Pichia pastoris

Entity Sequences (FASTA):
NcLPMO9C: HTIFQKVSVNGADQGQLKGI RAPANNNPVTDVMSSDIICN AVTMKDSNVLTVPAGAKVGH FWGHEIGGAAGPNDADNPIA ASHKGPIMVYLAKVDNAATT GTSGLKWFKVAEAGLSNGKW AVDDLIANNGWSYFDMPTCI APGQYLMRAELIALHNAGSQ AGAQFYIGCAQINVTGGGSA SPSNTVSFPGAYSASDPGIL INIYGGSGKTDNGGKPYQIP GPALFTC

Data sets:
Data typeCount
13C chemical shifts860
15N chemical shifts220
1H chemical shifts1203

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1catalytic domain NcLPMO9C1

Entities:

Entity 1, catalytic domain NcLPMO9C 227 residues - Formula weight is not available

1   HISTHRILEPHEGLNLYSVALSERVALASN
2   GLYALAASPGLNGLYGLNLEULYSGLYILE
3   ARGALAPROALAASNASNASNPROVALTHR
4   ASPVALMETSERSERASPILEILECYSASN
5   ALAVALTHRMETLYSASPSERASNVALLEU
6   THRVALPROALAGLYALALYSVALGLYHIS
7   PHETRPGLYHISGLUILEGLYGLYALAALA
8   GLYPROASNASPALAASPASNPROILEALA
9   ALASERHISLYSGLYPROILEMETVALTYR
10   LEUALALYSVALASPASNALAALATHRTHR
11   GLYTHRSERGLYLEULYSTRPPHELYSVAL
12   ALAGLUALAGLYLEUSERASNGLYLYSTRP
13   ALAVALASPASPLEUILEALAASNASNGLY
14   TRPSERTYRPHEASPMETPROTHRCYSILE
15   ALAPROGLYGLNTYRLEUMETARGALAGLU
16   LEUILEALALEUHISASNALAGLYSERGLN
17   ALAGLYALAGLNPHETYRILEGLYCYSALA
18   GLNILEASNVALTHRGLYGLYGLYSERALA
19   SERPROSERASNTHRVALSERPHEPROGLY
20   ALATYRSERALASERASPPROGLYILELEU
21   ILEASNILETYRGLYGLYSERGLYLYSTHR
22   ASPASNGLYGLYLYSPROTYRGLNILEPRO
23   GLYPROALALEUPHETHRCYS

Samples:

15N_sample: NcLPMO9C, [U-98% 15N], 0.1 – 0.2 mM; sodium phosphate 25 mM; sodium chloride 10 mM; H2O 90%; D2O 10%

DL_sample: NcLPMO9C, [U-98% 13C; U-98% 15N], 0.1 – 0.2 mM; sodium phosphate 25 mM; sodium chloride 10 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC15N_sampleisotropicsample_conditions_1
2D 1H-13C HSQC aromaticDL_sampleisotropicsample_conditions_1
3D HNCADL_sampleisotropicsample_conditions_1
3D 1H-15N NOESY15N_sampleisotropicsample_conditions_1
3D 1H-13C NOESY aromaticDL_sampleisotropicsample_conditions_1
2D CACODL_sampleisotropicsample_conditions_1
3D CBCANHDL_sampleisotropicsample_conditions_1
3D CBCA(CO)NHDL_sampleisotropicsample_conditions_1
3D HCCH-TOCSYDL_sampleisotropicsample_conditions_1
2D NCODL_sampleisotropicsample_conditions_1
2D (HB)CB(CGCD)HDDL_sampleisotropicsample_conditions_1

Software:

CARA v1.5, Keller and Wuthrich - chemical shift assignment

TOPSPIN v3.2-3.5, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance III HD 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts