BMRB Entry 51233

Title:
Geobacillus stearothermophilus Adenylate Kinase with Cobalt
Deposition date:
2021-12-16
Original release date:
2022-03-09
Authors:
Stiller, John; Otten, Renee; Kern, Dorothee
Citation:

Citation: Stiller, John; Otten, Renee; Haussinger, Daniel; Rieder, Pascal; Theobald, Douglas; Kern, Dorothee. "Structure determination of high-energy states in a dynamic protein ensemble"  Nature 603, 528-535 (2022).
PubMed: 35236984

Assembly members:

Assembly members:
entity_1, polymer, 223 residues, Formula weight is not available
entity_ADP, non-polymer, 427.201 Da.
entity_CO, non-polymer, 58.933 Da.

Natural source:

Natural source:   Common Name: Geobacillus stearothermophilus   Taxonomy ID: 1422   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Geobacillus stearothermophilus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: N/A

Data sets:
Data typeCount
13C chemical shifts329
15N chemical shifts178
1H chemical shifts178

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Adenylate Kinase1
2ADP2
3CO3

Entities:

Entity 1, Adenylate Kinase 223 residues - Formula weight is not available

1   METASNLEUVALLEUMETGLYLEUPROGLY
2   ALAGLYLYSGLYTHRGLNALAGLULYSILE
3   VALALAALATYRGLYILEPROHISILESER
4   THRGLYASPMETPHEARGALAALAMETLYS
5   GLUGLYTHRPROLEUGLYLEUGLNALALYS
6   GLNTYRMETASPARGGLYASPLEUVALPRO
7   ASPGLUVALTHRILEGLYILEVALARGGLU
8   ARGLEUSERLYSASPASPCYSGLNASNGLY
9   PHELEULEUASPGLYPHEPROARGTHRVAL
10   ALAGLNALAGLUALALEUGLUTHRMETLEU
11   ALAASPILEGLYARGLYSLEUASPTYRVAL
12   ILEHISILEASPVALARGGLNASPVALLEU
13   METGLUARGLEUTHRGLYARGARGILECYS
14   ARGASNCYSGLYALATHRTYRHISLEUILE
15   PHEHISPROPROALALYSPROGLYVALCYS
16   ASPLYSCYSGLYGLYGLULEUTYRGLNARG
17   ALAASPASPASNGLUALATHRVALALAASN
18   ARGLEUGLUVALASNMETLYSGLNMETLYS
19   PROLEUVALASPPHETYRGLUGLNLYSGLY
20   TYRLEUARGASNILEASNGLYGLUGLNASP
21   METGLULYSVALPHEALAASPILEARGGLU
22   LEULEUGLYGLYLEUALAARGGLUASNLEU
23   TYRPHEGLN

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

1   ADP

Entity 3, CO - Co - 58.933 Da.

1   CO

Samples:

sample_1: Adenylate Kinase, [U-100% 13C; U-100% 15N], 2 mM; Adenosine di-phosphate 20 mM; D2O 5.5 M; MOPS 50 mM; NaCl 50 mM; TCEP 2 mM; sodium azide 0.02%

sample_conditions_1: ionic strength: 0.05 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

CcpNMR - chemical shift assignment

NMR spectrometers:

  • Agilent DD2 600 MHz

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