BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 50158

Title: 1H, 13C, 15N and IVL methyl group chemical shift assignments   PubMed: 32562251

Deposition date: 2020-01-15 Original release date: 2020-06-29

Authors: Makraki, Eleni; Carneiro, Marta; Heyam, Alex; AB, Eiso; Siegal, Gregg; Hubbard, Roderick

Citation: Makraki, Eleni; Carneiro, Marta; Heyam, Alex; AB, Eiso; Siegal, Gregg; Hubbard, Roderick. "1 H, 13 C, 15 N Backbone and IVL Methyl Group Resonance Assignment of the Fungal beta-glucosidase From Trichoderma Reesei"  Biomol. NMR Assignments ., .-. (2020).

Assembly members:
entity_1_TrBgl2, polymer, 488 residues, Formula weight is not available

Natural source:   Common Name: Trichoderma reesei   Taxonomy ID: 51453   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Trichoderma reesei

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

Entity Sequences (FASTA):
entity_1_TrBgl2: MGSSHHHHHHSSGLEVLFQG PAMLPKDFQWGFATAAYQIE GAVDQDGRGPSIWDTFCAQP GKIADGSSGVTACDSYNRTA EDIALLKSLGAKSYRFSISW SRIIPEGGRGDAVNQAGIDH YVKFVDDLLDAGITPFITLF HWDLPEGLHQRYGGLLNRTE FPLDFENYARVMFRALPKVR NWITFNEPLCSAIPGYGSGT FAPGRQSTSEPWTVGHNILV AHGRAVKAYRDDFKPASGDG QIGIVLNGDFTYPWDAADPA DKEAAERRLEFFTAWFADPI YLGDYPASMRKQLGDRLPTF TPEERALVHGSNDFYGMNHY TSNYIRHRSSPASADDTVGN VDVLFTNKQGNCIGPETQSP WLRPCAAGFRDFLVWISKRY GYPPIYVTENGTSIKGESDL PKEKILEDDFRVKYYNEYIR AMVTAVELDGVNVKGYFAWS LMDNFEWADGYVTRFGVTYV DYENGQKRFPKKSAKSLKPL FDELIAAA

Data sets:
Data typeCount
13C chemical shifts994
15N chemical shifts265
1H chemical shifts517

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1TrBgl2 monomer1

Entities:

Entity 1, TrBgl2 monomer 488 residues - Formula weight is not available

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUGLUVALLEUPHEGLNGLY
3   PROALAMETLEUPROLYSASPPHEGLNTRP
4   GLYPHEALATHRALAALATYRGLNILEGLU
5   GLYALAVALASPGLNASPGLYARGGLYPRO
6   SERILETRPASPTHRPHECYSALAGLNPRO
7   GLYLYSILEALAASPGLYSERSERGLYVAL
8   THRALACYSASPSERTYRASNARGTHRALA
9   GLUASPILEALALEULEULYSSERLEUGLY
10   ALALYSSERTYRARGPHESERILESERTRP
11   SERARGILEILEPROGLUGLYGLYARGGLY
12   ASPALAVALASNGLNALAGLYILEASPHIS
13   TYRVALLYSPHEVALASPASPLEULEUASP
14   ALAGLYILETHRPROPHEILETHRLEUPHE
15   HISTRPASPLEUPROGLUGLYLEUHISGLN
16   ARGTYRGLYGLYLEULEUASNARGTHRGLU
17   PHEPROLEUASPPHEGLUASNTYRALAARG
18   VALMETPHEARGALALEUPROLYSVALARG
19   ASNTRPILETHRPHEASNGLUPROLEUCYS
20   SERALAILEPROGLYTYRGLYSERGLYTHR
21   PHEALAPROGLYARGGLNSERTHRSERGLU
22   PROTRPTHRVALGLYHISASNILELEUVAL
23   ALAHISGLYARGALAVALLYSALATYRARG
24   ASPASPPHELYSPROALASERGLYASPGLY
25   GLNILEGLYILEVALLEUASNGLYASPPHE
26   THRTYRPROTRPASPALAALAASPPROALA
27   ASPLYSGLUALAALAGLUARGARGLEUGLU
28   PHEPHETHRALATRPPHEALAASPPROILE
29   TYRLEUGLYASPTYRPROALASERMETARG
30   LYSGLNLEUGLYASPARGLEUPROTHRPHE
31   THRPROGLUGLUARGALALEUVALHISGLY
32   SERASNASPPHETYRGLYMETASNHISTYR
33   THRSERASNTYRILEARGHISARGSERSER
34   PROALASERALAASPASPTHRVALGLYASN
35   VALASPVALLEUPHETHRASNLYSGLNGLY
36   ASNCYSILEGLYPROGLUTHRGLNSERPRO
37   TRPLEUARGPROCYSALAALAGLYPHEARG
38   ASPPHELEUVALTRPILESERLYSARGTYR
39   GLYTYRPROPROILETYRVALTHRGLUASN
40   GLYTHRSERILELYSGLYGLUSERASPLEU
41   PROLYSGLULYSILELEUGLUASPASPPHE
42   ARGVALLYSTYRTYRASNGLUTYRILEARG
43   ALAMETVALTHRALAVALGLULEUASPGLY
44   VALASNVALLYSGLYTYRPHEALATRPSER
45   LEUMETASPASNPHEGLUTRPALAASPGLY
46   TYRVALTHRARGPHEGLYVALTHRTYRVAL
47   ASPTYRGLUASNGLYGLNLYSARGPHEPRO
48   LYSLYSSERALALYSSERLEULYSPROLEU
49   PHEASPGLULEUILEALAALAALA

Samples:

sample_1_2H__13C__15N_sample: entity_1, [U-13C; U-15N; U-2H], 0.25 mM; TRIS 50 mM; sodium chloride 100 mM; DTT 3 mM

sample_3_2H__13C__15N_-_IVL__sample: entity_2, [U-13C; U-15N; U-2H; Ile d1-13CH3; Leu,Val-13CH3], 0.25 mM; TRIS 50 mM; sodium chloride 100 mM; DTT 3 mM

sample_conditions_1: pH: 8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1_2H__13C__15N_sampleisotropicsample_conditions_1
3D HNCAsample_1_2H__13C__15N_sampleisotropicsample_conditions_1
3D HNCACBsample_1_2H__13C__15N_sampleisotropicsample_conditions_1
3D HN(CO)CACBsample_1_2H__13C__15N_sampleisotropicsample_conditions_1
3D HN(CO)CAsample_1_2H__13C__15N_sampleisotropicsample_conditions_1
3D HN(CA)COsample_1_2H__13C__15N_sampleisotropicsample_conditions_1
3D HN(CA)CBsample_1_2H__13C__15N_sampleisotropicsample_conditions_1
3D HMCMCsample_3_2H__13C__15N_-_IVL__sampleisotropicsample_conditions_1
3D HMCM(C)CBsample_3_2H__13C__15N_-_IVL__sampleisotropicsample_conditions_1
3D HMCM(CC)CAsample_3_2H__13C__15N_-_IVL__sampleisotropicsample_conditions_1
3D HMCM(CCC)COsample_3_2H__13C__15N_-_IVL__sampleisotropicsample_conditions_1
3D 13Ch-13CH3 SOFAST-HMQC-NOESY-HMQCsample_3_2H__13C__15N_-_IVL__sampleisotropicsample_conditions_1
3D 15N-resolved NOESYsample_3_2H__13C__15N_-_IVL__sampleisotropicsample_conditions_1
(CT)1H-13Cmethyl HMQCsample_3_2H__13C__15N_-_IVL__sampleisotropicsample_conditions_1
3D 13C-resolved NOESYsample_3_2H__13C__15N_-_IVL__sampleisotropicsample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - processing

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

SPARKY, Goddard - data analysis

FLYA, Schmidt and Guntert - data analysis

NMR spectrometers:

  • Bruker Avance Neo 700 MHz
  • Bruker Avance III 850 MHz

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