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 27022

Title: 1H, 15N, 13C backbone resonance assignments of human phosphoglycerate kinase in a transition state analogue complex with ADP, 3-phosphoglycerate and magnesium trifluoride   PubMed: 28866776

Authors: Serimbetov, Zhalgas; Baxter, Nicola

Citation: Serimbetov, Zhalgas; Baxter, Nicola; Cliff, Matthew; Waltho, Jonathan. "1H, 15N, 13C backbone resonance assignments of human phosphoglycerate kinase in a transition state analogue complex with ADP, 3-phosphoglycerate and magnesium trifluoride"  Biomol. NMR Assignments ., .-. (2017).

Assembly members:
PGK, polymer, 417 residues, 44614.69 Da.
entity_ADP, non-polymer, 427.201 Da.
entity_3PG, non-polymer, 186.057 Da.
entity_MGF, non-polymer, 81.300 Da.
entity_MG, non-polymer, 24.305 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
PGK: MSLSNKLTLDKLDVKGKRVV MRVDFNVPMKNNQITNNQRI KAAVPSIKFCLDNGAKSVVL MSHLGRPDGVPMPDKYSLEP VAVELKSLLGKDVLFLKDCV GPEVEKACANPAAGSVILLE NLRFHVEEEGKGKDASGNKV KAEPAKIEAFRASLSKLGDV YVNDAFGTAHRAHSSMVGVN LPQKAGGFLMKKELNYFAKA LESPERPFLAILGGAKVADK IQLINNMLDKVNEMIIGGGM AFTFLKVLNNMEIGTSLFDE EGAKIVKDLMSKAEKNGVKI TLPVDFVTADKFDENAKTGQ ATVASGIPAGWMGLDCGPES SKKYAEAVTRAKQIVWNGPV GVFEWEAFARGTKALMDEVV KATSRGCITIIGGGDTATCC AKWNTEDKVSHVSTGGGASL ELLEGKVLPGVDALSNI

Data sets:
Data typeCount
13C chemical shifts1186
15N chemical shifts385
1H chemical shifts385

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PGK1
2ADP2
33PG3
4MgF3-4
5Mg2+5

Entities:

Entity 1, PGK 417 residues - 44614.69 Da.

1   METSERLEUSERASNLYSLEUTHRLEUASP
2   LYSLEUASPVALLYSGLYLYSARGVALVAL
3   METARGVALASPPHEASNVALPROMETLYS
4   ASNASNGLNILETHRASNASNGLNARGILE
5   LYSALAALAVALPROSERILELYSPHECYS
6   LEUASPASNGLYALALYSSERVALVALLEU
7   METSERHISLEUGLYARGPROASPGLYVAL
8   PROMETPROASPLYSTYRSERLEUGLUPRO
9   VALALAVALGLULEULYSSERLEULEUGLY
10   LYSASPVALLEUPHELEULYSASPCYSVAL
11   GLYPROGLUVALGLULYSALACYSALAASN
12   PROALAALAGLYSERVALILELEULEUGLU
13   ASNLEUARGPHEHISVALGLUGLUGLUGLY
14   LYSGLYLYSASPALASERGLYASNLYSVAL
15   LYSALAGLUPROALALYSILEGLUALAPHE
16   ARGALASERLEUSERLYSLEUGLYASPVAL
17   TYRVALASNASPALAPHEGLYTHRALAHIS
18   ARGALAHISSERSERMETVALGLYVALASN
19   LEUPROGLNLYSALAGLYGLYPHELEUMET
20   LYSLYSGLULEUASNTYRPHEALALYSALA
21   LEUGLUSERPROGLUARGPROPHELEUALA
22   ILELEUGLYGLYALALYSVALALAASPLYS
23   ILEGLNLEUILEASNASNMETLEUASPLYS
24   VALASNGLUMETILEILEGLYGLYGLYMET
25   ALAPHETHRPHELEULYSVALLEUASNASN
26   METGLUILEGLYTHRSERLEUPHEASPGLU
27   GLUGLYALALYSILEVALLYSASPLEUMET
28   SERLYSALAGLULYSASNGLYVALLYSILE
29   THRLEUPROVALASPPHEVALTHRALAASP
30   LYSPHEASPGLUASNALALYSTHRGLYGLN
31   ALATHRVALALASERGLYILEPROALAGLY
32   TRPMETGLYLEUASPCYSGLYPROGLUSER
33   SERLYSLYSTYRALAGLUALAVALTHRARG
34   ALALYSGLNILEVALTRPASNGLYPROVAL
35   GLYVALPHEGLUTRPGLUALAPHEALAARG
36   GLYTHRLYSALALEUMETASPGLUVALVAL
37   LYSALATHRSERARGGLYCYSILETHRILE
38   ILEGLYGLYGLYASPTHRALATHRCYSCYS
39   ALALYSTRPASNTHRGLUASPLYSVALSER
40   HISVALSERTHRGLYGLYGLYALASERLEU
41   GLULEULEUGLUGLYLYSVALLEUPROGLY
42   VALASPALALEUSERASNILE

Entity 2, ADP - C10 H15 N5 O10 P2 - 427.201 Da.

1   ADP

Entity 3, 3PG - C3 H7 O7 P - 186.057 Da.

1   3PG

Entity 4, MgF3- - F3 Mg - 81.300 Da.

1   MGF

Entity 5, Mg2+ - Mg - 24.305 Da.

1   MG

Samples:

sample_1: PGK, [U-100% 13C; U-100% 15N; U-80% 2H], 0.5 mM; ADP 10 mM; 3-phosphoglycerate 10 mM; MgCl2 5 mM; NH4F 30 mM; DTT 20 mM; EDTA 1 mM; sodium azide 0.04 % v/v; TRIS 50 mM; H2O 90 % v/v; D2O, [U-100% 2H], 10 % v/v; TSP, [U-99% 2H], 0.5 % v/v

sample_conditions_1: ionic strength: 85 mM; pH: 7.4; 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-HNCACBsample_1isotropicsample_conditions_1
3D TROSY-HN(CO)CACBsample_1isotropicsample_conditions_1
3D TROSY-HN(CA)COsample_1isotropicsample_conditions_1
3D TROSY-HNCOsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - collection, processing

CCPN_Analysis v2.4, CCPN - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker Avance III 800 MHz

Related Database Links:

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