BMRB Entry 7234

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7234

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Title:
Backbone 1H, 15N, and 13C assignments for beta phosphoglucomutase in a ternary complex with glucose-6-phosphate and MgF3-
Deposition date:
2006-07-13
Original release date:
2006-09-08
Authors:
Baxter, Nicola; Waltho, Jonathan
Citation:

Citation: Baxter, Nicola; Olguin, Luis; Golicnik, Marko; Feng, Guoqiang; Hounslow, Andrea; Bermel, Wolfgang; Blackburn, G.; Hollfelder, Florian; Waltho, Jonathan; Williams, Nicholas. "A trojan horse transition state analogue generated by MgF3- formation in an enzyme active site"  Proc. Natl. Acad. Sci. U.S.A. 103, 14732-14737 (2006).
PubMed: 16990434

Assembly members:

Assembly members:
beta phosphoglucomutase, polymer, 221 residues, 25000 Da.
BG6, non-polymer, 260.136 Da.
MGF, non-polymer, 81.300 Da.

Natural source:

Natural source:   Common Name: Lactococcus lactis   Taxonomy ID: 1360   Superkingdom: Eubacteria   Kingdom: Metazoa   Genus/species: Lactococcus lactis

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
13C chemical shifts646
15N chemical shifts210
1H chemical shifts210

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1beta phosphoglucomutase1
2glucose-6-phosphate2
3magnesium trifluoride ion3

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

1   BG6

Entity 3, magnesium trifluoride ion - F3 Mg - 81.300 Da.

1   MGF

Samples:

sample_closed_2H15N13C: beta phosphoglucomutase closed conformation, [U-2H; U-15N; U-13C], 1 ± 0.2 mM; magnesium chloride 5 ± 0.2 mM; ammonium fluoride 10 ± 0.2 mM; sodium azide 2 ± 0.2 mM; deuterium oxide 15 ± 1 %; protease inhibitor 1 times; potassium HEPES 50 ± 2 mM; glucose-6-phosphate 20 ± 1 mM

sample_closed_2H15N: beta phosphoglucomutase closed conformation, [U-2H; U-15N], 1 ± 0.2 mM; magnesium chloride 5 ± 0.2 mM; ammonium fluoride 10 ± 0.2 mM; sodium azide 2 ± 0.2 mM; deuterium oxide 15 ± 1 %; protease inhibitor 1 times; potassium HEPES 50 ± 2 mM; glucose-6-phosphate 20 ± 1 mM

conditions_1: pH: 7.2; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
15N TROSYsample_closed_2H15N13Cnot availableconditions_1
TROSY ct-HNCAsample_closed_2H15N13Cnot availableconditions_1
TROSY ct-HN(CO)CAsample_closed_2H15N13Cnot availableconditions_1
TROSY HN(CA)CBsample_closed_2H15N13Cnot availableconditions_1
TROSY HN(COCA)CBsample_closed_2H15N13Cnot availableconditions_1
TROSY HN(CA)COsample_closed_2H15N13Cnot availableconditions_1
TROSY HNCOsample_closed_2H15N13Cnot availableconditions_1
{19F}1H,15N-HSQC NOE differencesample_closed_2H15Nnot availableconditions_1
19F 1Dsample_closed_2H15Nnot availableconditions_1

Software:

xwinnmr, Bruker BioSpin Ltd - data acquisition

FELIX v2004, Accelrys Inc - data analysis, data processing

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 15467 16409 17851 17852 7235
PDB
DBJ BAL50396
EMBL CAA94734 CDG03643 CDI46177
GB AAK04527 ADA64250 ADZ63078 AEE43918 AGY43735
REF NP_266585 WP_003131530 WP_010905331 WP_012897250 WP_021469610
SP P71447
AlphaFold P71447

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