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 50386

Title: Phosphorylated tEIN backbone and I/L/V methyl resonance assignment

Deposition date: 2020-07-10 Original release date: 2020-07-15

Authors: Purslow, Jeffrey; Dotas, Rochelle; Sivo, Valeria; Venditti, Vincenzo

Citation: Purslow, Jeffrey; Dotas, Rochelle; Sivo, Valeria; Venditti, Vincenzo. "Phosphorylation and single-point mutation effects on the conformational dynamics of EIN"  .

Assembly members:
entity_1, polymer, 248 residues, Formula weight is not available
PHOSPHOENOLPYRUVATE, non-polymer, 168.042 Da.

Natural source:   Common Name: Caldanaerobacter subterraneus   Taxonomy ID: 911092   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Caldanaerobacter subterraneus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pet21A

Entity Sequences (FASTA):
entity_1: MLKGVAASPGIAIGKAFLYT KEKVTINVEKIEESKVEEEI AKFRKALEVTQEEIEKIKEK ALKEFGKEKAEIFEAHLMLA SDPELIEGVENMIKTELVTA DNAVNKVIEQNASVMESLND EYLKERAVDLRDVGNRIIEN LLGVKSVNLSDLEEEVVVIA RDLTPSDTATMKKEMVLGFA TDVGGITSXTAIMARSLEIP AVVGLGNVTSQVKAGDLVIV DGLEGIVIVNPDEKTVEDYK SKKESYEK

Data sets:
Data typeCount
13C chemical shifts825
15N chemical shifts466
1H chemical shifts792

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Phosphorylated tEIN1
2PEP2

Entities:

Entity 1, Phosphorylated tEIN 248 residues - Formula weight is not available

1   METLEULYSGLYVALALAALASERPROGLY
2   ILEALAILEGLYLYSALAPHELEUTYRTHR
3   LYSGLULYSVALTHRILEASNVALGLULYS
4   ILEGLUGLUSERLYSVALGLUGLUGLUILE
5   ALALYSPHEARGLYSALALEUGLUVALTHR
6   GLNGLUGLUILEGLULYSILELYSGLULYS
7   ALALEULYSGLUPHEGLYLYSGLULYSALA
8   GLUILEPHEGLUALAHISLEUMETLEUALA
9   SERASPPROGLULEUILEGLUGLYVALGLU
10   ASNMETILELYSTHRGLULEUVALTHRALA
11   ASPASNALAVALASNLYSVALILEGLUGLN
12   ASNALASERVALMETGLUSERLEUASNASP
13   GLUTYRLEULYSGLUARGALAVALASPLEU
14   ARGASPVALGLYASNARGILEILEGLUASN
15   LEULEUGLYVALLYSSERVALASNLEUSER
16   ASPLEUGLUGLUGLUVALVALVALILEALA
17   ARGASPLEUTHRPROSERASPTHRALATHR
18   METLYSLYSGLUMETVALLEUGLYPHEALA
19   THRASPVALGLYGLYILETHRSERNEPTHR
20   ALAILEMETALAARGSERLEUGLUILEPRO
21   ALAVALVALGLYLEUGLYASNVALTHRSER
22   GLNVALLYSALAGLYASPLEUVALILEVAL
23   ASPGLYLEUGLUGLYILEVALILEVALASN
24   PROASPGLULYSTHRVALGLUASPTYRLYS
25   SERLYSLYSGLUSERTYRGLULYS

Entity 2, PEP - C3 H5 O6 P - 168.042 Da.

1   PEP

Samples:

sample_1: Phosphorylated tEIN, [U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val], 1 mM; D2O 10%; TRIS-HCl 20 mM; EDTA 1 mM; sodium chloride 100 mM; magnesium chloride 4 mM

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 313 K

sample_conditions_2: pH: 7.4; pressure: 1 atm; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1

Software:

NMRFAM-SPARKY - data analysis

NMR spectrometers:

  • Bruker Avance 700 MHz
  • Bruker Avance 800 MHz

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