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 17852

Title: Backbone 1H, 15N, 13C assignments for beta phosphoglucomutase in a ternary complex with glucose-6-phosphate and 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.
BG6, non-polymer, 260.136 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 shifts634
15N chemical shifts200
19F chemical shifts2
1H chemical shifts200

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1phosphoglucomutase ground state analogue1
2trifluoroberyllate_ion2
3magnesium_ion3
4glucose-6-phosphate4

Entities:

Entity 1, phosphoglucomutase ground state 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, trifluoroberyllate_ion - Be F3 - 66.007 Da.

1   BEF

Entity 3, magnesium_ion - Mg - 24.305 Da.

1   MG

Entity 4, glucose-6-phosphate - C6 H13 O9 P - 260.136 Da.

1   BG6

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; glucose-6-phosphate 10 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; glucose-6-phosphate 10 mM; H2O 90%

sample_conditions_1: ionic strength: 70 mM; pH: 6.1; 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:

PDB
BMRB 15467 16409 17851
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