BMRB Entry 50369

Title:
Human AK3 apo-form
Deposition date:
2020-06-29
Original release date:
2020-08-25
Authors:
Rogne, Per; Goodman, Jack; Wolf-Watz, Magnus
Citation:

Citation: Rogne, Per; Dulko-Smith, Beata; Goodman, Jack; Rosselin, Marie; Grundstrom, Christin; Hedberg, Christian; Nam, Kwangho; Sauer-Eriksson, Elisabeth; Wolf-Watz, Magnus. "Structural basis for GTP versus ATP selectivity in the NMP kinase AK3"  Biochemistry 59, 3570-3581 (2020).
PubMed: 32822537

Assembly members:

Assembly members:
entity_1, polymer, 227 residues, 25565 Da.
entity_MG, non-polymer, 24.305 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET24d-AK3

Data sets:
Data typeCount
13C chemical shifts545
15N chemical shifts191
1H chemical shifts191

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1AK31
2Mg2+2

Entities:

Entity 1, AK3 227 residues - 25565 Da.

1   METGLYALASERALAARGLEULEUARGALA
2   VALILEMETGLYALAPROGLYSERGLYLYS
3   GLYTHRVALSERSERARGILETHRTHRHIS
4   PHEGLULEULYSHISLEUSERSERGLYASP
5   LEULEUARGASPASNMETLEUARGGLYTHR
6   GLUILEGLYVALLEUALALYSALAPHEILE
7   ASPGLNGLYLYSLEUILEPROASPASPVAL
8   METTHRARGLEUALALEUHISGLULEULYS
9   ASNLEUTHRGLNTYRSERTRPLEULEUASP
10   GLYPHEPROARGTHRLEUPROGLNALAGLU
11   ALALEUASPARGALATYRGLNILEASPTHR
12   VALILEASNLEUASNVALPROPHEGLUVAL
13   ILELYSGLNARGLEUTHRALAARGTRPILE
14   HISPROALASERGLYARGVALTYRASNILE
15   GLUPHEASNPROPROLYSTHRVALGLYILE
16   ASPASPLEUTHRGLYGLUPROLEUILEGLN
17   ARGGLUASPASPLYSPROGLUTHRVALILE
18   LYSARGLEULYSALATYRGLUASPGLNTHR
19   LYSPROVALLEUGLUTYRTYRGLNLYSLYS
20   GLYVALLEUGLUTHRPHESERGLYTHRGLU
21   THRASNLYSILETRPPROTYRVALTYRALA
22   PHELEUGLNTHRLYSVALPROGLNARGSER
23   GLNLYSALASERVALTHRPRO

Entity 2, Mg2+ - Mg - 24.305 Da.

1   MG

Samples:

sample_1: Human AK3, [U-100% 13C; U-100% 15N; U-80% 2H], 700 uM; MOPS 30 mM; sodium chloride 50 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.6 - collection

MddNMR - processing

CYANA - chemical shift assignment

CARA - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 800 MHz

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