BMRB Entry 51988

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51988

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Title:
1H, 15N and 13C backbone resonance assignments of the D10N,P146A variant of beta-phosphoglucomutase (trans K145-A146 peptide bond) in a Mg-bound complex with beta-glucose 1,6-bisphosphate and an additional Mg ion bound in the active site
Deposition date:
2023-06-05
Original release date:
2024-07-30
Authors:
Baxter, Nicola; Waltho, Jonathan
Citation:

Citation: Cruz-Navarrete, F.; Baxter, Nicola; Flinders, Adam; Buzoianu, Anamaria; Cliff, Matthew; Baker, Patrick; Waltho, Jonathan. "Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in beta-phosphoglucomutase"  Commun. Biol. 7, 909-909 (2024).
PubMed: 39068257

Assembly members:

Assembly members:
entity_1, polymer, 221 residues, Formula weight is not available
entity_MG, non-polymer, 24.305 Da.
entity_B16, non-polymer, 340.116 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(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MFKAVLFDLNGVITDTAEYH FRAWKALAEEIGINGVDRQF NEQLKGVSREDSLQKILDLA DKKVSAEEFKELAKRKNDNY VKMIQDVSPADVYPGILQLL KDLRSNKIKIALASASKNGP FLLERMNLTGYFDAIADPAE VAASKAAPDIFIAAAHAVGV APSESIGLEDSQAGIQAIKD SGALPIGVGRPEDLGDDIVI VPDTSHYTLEFLKEVWLQKQ K

Data sets:
Data typeCount
13C chemical shifts632
15N chemical shifts206
1H chemical shifts206

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1bPGM-D10N,P146A1
2Mg2
3bG16BP3
4MgT2

Entities:

Entity 1, bPGM-D10N,P146A 221 residues - Formula weight is not available

M1-F2-K3-A4-....-K221

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   VALALAALASERLYSALAALAPROASPILE
16   PHEILEALAALAALAHISALAVALGLYVAL
17   ALAPROSERGLUSERILEGLYLEUGLUASP
18   SERGLNALAGLYILEGLNALAILELYSASP
19   SERGLYALALEUPROILEGLYVALGLYARG
20   PROGLUASPLEUGLYASPASPILEVALILE
21   VALPROASPTHRSERHISTYRTHRLEUGLU
22   PHELEULYSGLUVALTRPLEUGLNLYSGLN
23   LYS

Entity 2, Mg - Mg - 24.305 Da.

1   MG

Entity 3, bG16BP - C6 H14 O12 P2 - 340.116 Da.

1   B16

Samples:

sample_1: beta-phosphoglucomutase, [U-100% 13C; U-100% 15N; U-80% 2H], 0.7 mM; beta-glucose 1,6-bisphosphate 5 mM; magnesium chloride 100 mM; potassium HEPES 50 mM; sodium azide 2 mM; TSP, d4, 1 mM; D2O, [U-99% 2H], 10%; H2O 90%

sample_2: beta-phosphoglucomutase, [U-100% 13C; U-100% 15N; U-80% 2H], 0.33 mM; beta-glucose 1,6-bisphosphate 5 mM; magnesium chloride 5 mM; potassium HEPES 50 mM; sodium azide 2 mM; TSP, d4, 1 mM; D2O, [U-99% 2H], 10%; H2O 90%

sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
1D 1Hsample_2isotropicsample_conditions_1
2D 1H-15N TROSYsample_2isotropicsample_conditions_1
3D HN(CA)COsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HN(CO)CACBsample_2isotropicsample_conditions_1
3D (H)N(COCA)NNHsample_2isotropicsample_conditions_1
3D H(NCOCA)NNHsample_2isotropicsample_conditions_1

Software:

TOPSPIN v4 - collection, processing

FELIX v2007 - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker AVANCE NEO 800 MHz

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