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 15467

Title: Backbone 1H, 15N, and 13C assignments for beta phosphoglucomutase in a complex with glucose-6-phosphate and AlF4-   PubMed: 18318536

Authors: Baxter, Nicola; Waltho, Jonathan

Citation: Baxter, Nicola; Blackburn, G; Marston, James; Hounslow, Andrea; Cliff, Matthew; Bermel, Wolfgang; Williams, Nicholas; Hollfelder, Florian; Wemmer, David; Waltho, Jonathan. "Anionic charge is prioritized over geometry in aluminum and magnesium fluoride transition state analogs of phosphoryl transfer enzymes."  J. Am. Chem. Soc. 130, 3952-3958 (2008).

Assembly members:
beta_phosphoglucomutase, polymer, 221 residues, 25000 Da.
BG6, non-polymer, 260.136 Da.
ALF, non-polymer, 102.975 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 shifts405
15N chemical shifts210
19F chemical shifts4
1H chemical shifts210

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1beta_phosphoglucomutase1
2beta_phosphoglucomutase2
3beta_phosphoglucomutase3
4beta_phosphoglucomutase4

Entities:

Entity 1, beta_phosphoglucomutase 221 residues - 25000 Da.

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, beta_phosphoglucomutase - C6 H13 O9 P - 260.136 Da.

1   BG6

Entity 3, beta_phosphoglucomutase - Al F4 - 102.975 Da.

1   ALF

Entity 4, beta_phosphoglucomutase - Mg - 24.305 Da.

1   MG

Samples:

sample_2H15N13C: beta phosphoglucomutase, [U-100% 13C; U-100% 15N; 80% 2H], 1 ± 0.2 mM; D-glucose-6-phosphate 10 ± 0.5 mM; ammonium fluoride 10 ± 0.5 mM; magnesium chloride 5 ± 0.2 mM; sodium azide 2 ± 0.2 mM; protease inhibitor 1 X; aluminum chloride 2.5 ± 0.2 mM; potassium HEPES 50 ± 1 mM; H2O 90%; D2O 10%

sample_2H15N: beta phosphoglucomutase, [ U-100% 15N; 80% 2H], 1 ± 0.2 mM; D-glucose-6-phosphate 10 ± 0.5 mM; ammonium fluoride 10 ± 0.5 mM; magnesium chloride 5 ± 0.2 mM; sodium azide 2 ± 0.2 mM; protease inhibitor 1 X; aluminum chloride 2.5 ± 0.2 mM; potassium HEPES 50 ± 1 mM; H2O 90%; D2O 10%

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_2H15N13Cisotropicsample_conditions_1
3D TROSY HNCOsample_2H15N13Cisotropicsample_conditions_1
3D TROSY HN(COCA)CBsample_2H15N13Cisotropicsample_conditions_1
2D {19F}1H,15N-HSQC NOE differencesample_2H15Nisotropicsample_conditions_1
1D 19F observesample_2H15Nisotropicsample_conditions_1

Software:

xwinnmr, Bruker Biospin - collection

FELIX v2004, Accelrys Software Inc. - chemical shift assignment, data analysis, peak picking, processing

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

SWS P71447
PDB
GB AAK04527.1 AAK04527 ADA64250 ADZ63078 AEE43918 AGY43735
EMBL CAA94734.1 CAA94734 CDG03643 CDI46177
BMRB 16409 17851 17852
DBJ BAL50396 GAM81375
REF NP_266585 WP_003131530 WP_010905331 WP_012897250 WP_021469610
SP P71447