BMRB Entry 27174

Title:
1H, 15N, 13C backbone resonance assignments of the D10N variant of beta-phosphoglucomutase in a MgII-bound complex with beta-glucose 1,6-bisphosphate
Deposition date:
2017-07-13
Original release date:
2018-08-22
Authors:
Baxter, Nicola
Citation:

Citation: Johnson, Luke; Robertson, Angus; Baxter, Nicola; Trevitt, Clare; Bisson, Claudine; Jin, Yi; Hounslow, Andrea; Cliff, Matthew; Blackburn, G; Bowler, Matthew; Waltho, Jonathan. "van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture"  ACS Catal. 8, 8140-8153 (2018).

Assembly members:

Assembly members:
beta-phosphoglucomutase, polymer, 221 residues, 24209.65 Da.
1,6-di-O-phosphono-beta-D-glucopyranose, non-polymer, 340.116 Da.
MAGNESIUM ION, non-polymer, 24.305 Da.

Natural source:

Natural source:   Common Name: Lactococcus lactis   Taxonomy ID: 1358   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Lactococcus lactis

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-22b(+)

Data sets:
Data typeCount
13C chemical shifts637
15N chemical shifts210
1H chemical shifts210
31P chemical shifts2

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1bPGM-D10N1
2bG16P2
3Mg3

Entities:

Entity 1, bPGM-D10N 221 residues - 24209.65 Da.

1   METPHELYSALAVALLEUPHEASPLEUASN
2   GLYVALILETHRASPTHRALAGLUTYRHIS
3   PHEARGALATRPLYSALALEUALAGLUGLU
4   ILEGLYILEASNGLYVALASPARGGLNPHE
5   ASNGLUGLNLEULYSGLYVALSERARGGLU
6   ASPSERLEUGLNLYSILELEUASPLEUALA
7   ASPLYSLYSVALSERALAGLUGLUPHELYS
8   GLULEUALALYSARGLYSASNASPASNTYR
9   VALLYSMETILEGLNASPVALSERPROALA
10   ASPVALTYRPROGLYILELEUGLNLEULEU
11   LYSASPLEUARGSERASNLYSILELYSILE
12   ALALEUALASERALASERLYSASNGLYPRO
13   PHELEULEUGLUARGMETASNLEUTHRGLY
14   TYRPHEASPALAILEALAASPPROALAGLU
15   VALALAALASERLYSPROALAPROASPILE
16   PHEILEALAALAALAHISALAVALGLYVAL
17   ALAPROSERGLUSERILEGLYLEUGLUASP
18   SERGLNALAGLYILEGLNALAILELYSASP
19   SERGLYALALEUPROILEGLYVALGLYARG
20   PROGLUASPLEUGLYASPASPILEVALILE
21   VALPROASPTHRSERHISTYRTHRLEUGLU
22   PHELEULYSGLUVALTRPLEUGLNLYSGLN
23   LYS

Entity 2, bG16P - C6 H14 O12 P2 - 340.116 Da.

1   B16

Entity 3, Mg - Mg - 24.305 Da.

1   MG

Samples:

sample_1: beta-phosphoglucomutase, [U-100% 13C; U-100% 15N; U-80% 2H], 1 mM; beta-D-glucose 1,6-bisphosphate 1 mM; potassium HEPES buffer 50 mM; magnesium chloride 50 mM; sodium azide 2 mM; H2O 90%; D2O, [U-99% 2H], 10%

sample_conditions_1: ionic strength: 202 mM; pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D TROSY-HNCOsample_1isotropicsample_conditions_1
3D TROSY HN(CA)COsample_1isotropicsample_conditions_1
3D TROSY HNCAsample_1isotropicsample_conditions_1
3D TROSY HN(CO)CAsample_1isotropicsample_conditions_1
3D TROSY HNCACBsample_1isotropicsample_conditions_1
3D TROSY CBCA(CO)NHsample_1isotropicsample_conditions_1
3D TROSY H(NCOCA)NNHsample_1isotropicsample_conditions_1
3D TROSY (H)N(COCA)NNHsample_1isotropicsample_conditions_1
1D 13Psample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - collection, processing

Felix, Accelrys Software Inc. - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker Avance 800 MHz

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