BMRB Entry 50212

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50212

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Title:
Backbone 1H, 13C and 15N resonance assignments of 116 kDa Mycobacterium tuberculosis inorganic pyrophosphatase hexamer
Deposition date:
2020-03-18
Original release date:
2020-08-25
Authors:
Polshakov, Vladimir; Romanov, Roman; Efimov, Sergey
Citation:

Citation: Romanov, Roman; Mariasina, Sofia; Efimov, Sergey; Klochkov, Vladimir; Rodina, Elena; Polshakov, Vladimir. "Backbone resonance assignment and dynamics of 110 kDa hexameric inorganic pyrophosphatase from Mycobacterium tuberculosis"  Biomol. NMR Assignments 14, 281-287 (2020).
PubMed: 32562252

Assembly members:

Assembly members:
entity_1, polymer, 162 residues, Formula weight is not available
entity_MG, non-polymer, 24.305 Da.
entity_PO4, non-polymer, 94.971 Da.

Natural source:

Natural source:   Common Name: Mycobacterium tuberculosis   Taxonomy ID: 1773   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium tuberculosis

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET23a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MQFDVTIEIPKGQRNKYEVD HETGRVRLDRYLYTPMAYPT DYGFIEDTLGDDGDPLDALV LLPQPVFPGVLVAARPVGMF RMVDEHGGDDKVLCVPAGDP RWDHVQDIGDVPAFELDAIK HFFVHYKDLEPGKFVKAADW VDRAEAEAEVQRSVERFKAG TH

Data sets:
Data typeCount
13C chemical shifts455
15N chemical shifts145
1H chemical shifts145
T1 relaxation values136
T2 relaxation values136
heteronuclear NOE values136
order parameters136

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1protein chain1
2magnesium ion2
3inorganic orthophosphate molecule3

Entities:

Entity 1, protein chain 162 residues - Formula weight is not available

1   METGLNPHEASPVALTHRILEGLUILEPRO
2   LYSGLYGLNARGASNLYSTYRGLUVALASP
3   HISGLUTHRGLYARGVALARGLEUASPARG
4   TYRLEUTYRTHRPROMETALATYRPROTHR
5   ASPTYRGLYPHEILEGLUASPTHRLEUGLY
6   ASPASPGLYASPPROLEUASPALALEUVAL
7   LEULEUPROGLNPROVALPHEPROGLYVAL
8   LEUVALALAALAARGPROVALGLYMETPHE
9   ARGMETVALASPGLUHISGLYGLYASPASP
10   LYSVALLEUCYSVALPROALAGLYASPPRO
11   ARGTRPASPHISVALGLNASPILEGLYASP
12   VALPROALAPHEGLULEUASPALAILELYS
13   HISPHEPHEVALHISTYRLYSASPLEUGLU
14   PROGLYLYSPHEVALLYSALAALAASPTRP
15   VALASPARGALAGLUALAGLUALAGLUVAL
16   GLNARGSERVALGLUARGPHELYSALAGLY
17   THRHIS

Entity 2, magnesium ion - Mg - 24.305 Da.

1   MG

Entity 3, inorganic orthophosphate molecule - O4 P - 94.971 Da.

1   PO4

Samples:

sample_1: Mt-PPase, [U-13C; U-15N; U-2H], 0.6 mM; Pi 50 mM; MG2 5 mM; Arginine 50 mM; Glutamate 50 mM

sample_conditions_1: ionic strength: 155 mM; pH: 6.8; pressure: 1 atm; temperature: 318 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HCACOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
T1/R1 relaxationsample_1isotropicsample_conditions_1
T2/R2 relaxationsample_1isotropicsample_conditions_1
15N-(1H) NOEsample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection

NMRPipe - processing

NMRFAM-SPARKY - data analysis

PINE - chemical shift assignment

RelaxFit - data analysis

NMR spectrometers:

  • Bruker Avance 700 MHz

Related Database Links:

UNP P9WI55
AlphaFold P65746

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