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 16409

Title: Backbone 1H, 15N, and 13C assignments for beta phosphoglucomutase in a ternary complex with alpha-galactose 1-phosphate and MgF3-   PubMed: 19852484

Authors: Baxter, Nicola; Waltho, Jonathan

Citation: Baxter, Nicola; Hounslow, Andrea; Bowler, Matthew; Williams, Nicholas; Blackburn, G. Michael; Waltho, Jonathan. "MgF(3)(-) and alpha-Galactose 1-Phosphate in the Active Site of beta-Phosphoglucomutase Form a Transition State Analogue of Phosphoryl Transfer."  J. Am. Chem. Soc. 131, 16334-16335 (2009).

Assembly members:
beta_phosphoglucomutase, polymer, 221 residues, Formula weight is not available
GL1, non-polymer, 260.136 Da.
MGF, non-polymer, 81.300 Da.
MG, non-polymer, 24.305 Da.

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

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

Entity Sequences (FASTA):
beta_phosphoglucomutase: MFKAVLFDLDGVITDTAEYH FRAWKALAEEIGINGVDRQF NEQLKGVSREDSLQKILDLA DKKVSAEEFKELAKRKNDNY VKMIQDVSPADVYPGILQLL KDLRSNKIKIALASASKNGP FLLERMNLTGYFDAIADPAE VAASKPAPDIFIAAAHAVGV APSESIGLEDSQAGIQAIKD SGALPIGVGRPEDLGDDIVI VPDTSHYTLEFLKEVWLQKQ K

Data sets:
Data typeCount
13C chemical shifts415
15N chemical shifts210
19F chemical shifts3
1H chemical shifts210

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1beta phosphoglucomutase1
2alpha-galactose 1-phosphate2
3MgF3-3
4Mg4

Entities:

Entity 1, beta phosphoglucomutase 221 residues - Formula weight is not available

1   METPHELYSALAVALLEUPHEASPLEUASP
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, alpha-galactose 1-phosphate - C6 H13 O9 P - 260.136 Da.

1   GL1

Entity 3, MgF3- - F3 Mg - 81.300 Da.

1   MGF

Entity 4, Mg - Mg - 24.305 Da.

1   MG

Samples:

sample_1: beta phosphoglucomutase, [U-100% 13C; U-100% 15N; U-80% 2H], 1 mM; alpha-galactose 1-phosphate 50 mM; MgCl2 5 mM; NH4F 10 mM; sodium azide 1 mM; protease inhibitor 1 times; potassium HEPES 50 mM; H2O 90%; D2O 10%

sample_2: beta phosphoglucomutase 0.5 mM; alpha-galactose 1-phosphate 50 mM; MgCl2 5 mM; NH4F 10 mM; sodium azide 1 mM; protease inhibitor 1 times; potassium HEPES 50 mM; H2O 100%

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

sample_conditions_2: pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D TROSY HNCOsample_1isotropicsample_conditions_1
3D TROSY HN(COCA)CBsample_1isotropicsample_conditions_1
19F 1Dsample_2isotropicsample_conditions_2

Software:

TOPSPIN, Bruker Biospin - structure solution

FELIX, Accelrys Software Inc. - chemical shift assignment, data analysis, peak picking, processing

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 500 MHz

Related Database Links:

PDB
BMRB 7235 15467 7234 15467 17851 17852
DBJ BAL50396 GAM81375
EMBL CAA94734 CDG03643 CDI46177
GB AAK04527 ADA64250 ADZ63078 AEE43918 AGY43735
REF NP_266585 WP_003131530 WP_010905331 WP_012897250 WP_021469610
SP P71447