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 17851

Title: Backbone 1H, 15N, 13C assignments for beta phosphoglucomutase in a binary complex with BeF3-   PubMed: 22505741

Authors: Baxter, Nicola; Griffin, Joanna; Waltho, Jonathan

Citation: Griffin, Joanna; Bowler, Matthew; Baxter, Nicola; Leigh, Katherine; Dannatt, Hugh; Hounslow, Andrea; Blackburn, G. Michael; Webster, Charles Edwin; Cliff, Matthew; Waltho, Jonathan. "Near attack conformers dominate beta-phosphoglucomutase complexes where geometry and charge distribution reflect those of substrate."  Proc. Natl. Acad. Sci. U. S. A. 109, 6910-6915 (2012).

Assembly members:
beta_phosphoglucomutase, polymer, 221 residues, Formula weight is not available
BEF, non-polymer, 66.007 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 shifts643
15N chemical shifts208
19F chemical shifts2
1H chemical shifts208

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1phosphoenzyme analogue1
2BERYLLIUM TRIFLUORIDE ION2
3Magnesium ion3

Entities:

Entity 1, phosphoenzyme analogue 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, BERYLLIUM TRIFLUORIDE ION - Be F3 - 66.007 Da.

1   BEF

Entity 3, Magnesium ion - Mg - 24.305 Da.

1   MG

Samples:

sample_1: beta phosphoglucomutase, [U-13C; U-15N; U-2H], 1 mM; magnesium chloride 5 mM; ammonium fluoride 10 mM; beryllium chloride 5 mM; sodium azide 2 mM; D2O, [U-100% 2H], 10%; potassium HEPES 50 mM; H2O 90%

sample_2: beta phosphoglucomutase 0.5 mM; magnesium chloride 5 mM; ammonium fluoride 10 mM; beryllium chloride 5 mM; sodium azide 2 mM; D2O, [U-100% 2H], 10%; potassium HEPES 50 mM; H2O 90%

sample_conditions_1: ionic strength: 70 mM; pH: 7.2; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D TROSY HNCAsample_1isotropicsample_conditions_1
3D TROSY HN(CO)CAsample_1isotropicsample_conditions_1
3D TROSY HN(CA)COsample_1isotropicsample_conditions_1
3D TROSY HNCOsample_1isotropicsample_conditions_1
3D TROSY HN(CA)CBsample_1isotropicsample_conditions_1
3D TROSY HN(COCA)CBsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
19F 1Dsample_2isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, data analysis

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:

BMRB 15467 16409 17852
PDB
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