BMRB Entry 19091

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19091

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Title:
Backbone 1H, 15N Chemical Shift Assignments for wild-type Escherichia coli Adenylate Kinase with 20mM ADP and Magnesium at 298K
Deposition date:
2013-03-14
Original release date:
2014-12-18
Authors:
Kerns, S. Jordan; Kern, Dorothee
Citation:

Citation: Kerns, S. Jordan; Agafonov, Roman; Cho, Young-Jin; Pontiggia, Francesco; Otten, Renee; Pachov, Dimitr; Phung, Lien; Murphy, Padraig; Thai, Vu; Hagan, Michael; Kern, Dorothee. "Catalytic Strategies used by Kinases in Phosphoryl-Transfer Reactions"  Proc. Natl. Acad. Sci. U.S.A. ., .-..

Assembly members:

Assembly members:
adenylate_kinase_wild_type, polymer, 214 residues, Formula weight is not available
entity_ADP, non-polymer, 427.201 Da.
entity_MG, non-polymer, 24.305 Da.

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pEMBL9

Entity Sequences (FASTA):

Entity Sequences (FASTA):
adenylate_kinase_wild_type: MRIILLGAPGAGKGTQAQFI MEKYGIPQISTGDMLRAAVK SGSELGKQAKDIMDAGKLVT DELVIALVKERIAQEDCRNG FLLDGFPRTIPQADAMKEAG INVDYVLEFDVPDELIVDRI VGRRVHAPSGRVYHVKFNPP KVEGKDDVTGEELTTRKDDQ EETVRKRLVEYHQMTAPLIG YYSKEAEAGNTKYAKVDGTK PVAEVRADLEKILG

Data sets:
Data typeCount
15N chemical shifts171
1H chemical shifts171

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1adenylate kinase1
2ADP2
3MG3

Entities:

Entity 1, adenylate kinase 214 residues - Formula weight is not available

1   METARGILEILELEULEUGLYALAPROGLY
2   ALAGLYLYSGLYTHRGLNALAGLNPHEILE
3   METGLULYSTYRGLYILEPROGLNILESER
4   THRGLYASPMETLEUARGALAALAVALLYS
5   SERGLYSERGLULEUGLYLYSGLNALALYS
6   ASPILEMETASPALAGLYLYSLEUVALTHR
7   ASPGLULEUVALILEALALEUVALLYSGLU
8   ARGILEALAGLNGLUASPCYSARGASNGLY
9   PHELEULEUASPGLYPHEPROARGTHRILE
10   PROGLNALAASPALAMETLYSGLUALAGLY
11   ILEASNVALASPTYRVALLEUGLUPHEASP
12   VALPROASPGLULEUILEVALASPARGILE
13   VALGLYARGARGVALHISALAPROSERGLY
14   ARGVALTYRHISVALLYSPHEASNPROPRO
15   LYSVALGLUGLYLYSASPASPVALTHRGLY
16   GLUGLULEUTHRTHRARGLYSASPASPGLN
17   GLUGLUTHRVALARGLYSARGLEUVALGLU
18   TYRHISGLNMETTHRALAPROLEUILEGLY
19   TYRTYRSERLYSGLUALAGLUALAGLYASN
20   THRLYSTYRALALYSVALASPGLYTHRLYS
21   PROVALALAGLUVALARGALAASPLEUGLU
22   LYSILELEUGLY

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

1   ADP

Entity 3, MG - Mg - 24.305 Da.

1   MG

Samples:

sample_1: adenylate kinase, [U-13C; U-15N], 2 mM; ADP 20 mM; MG 20 mM; D2O 5%; H2O 95%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 18683 18685 18686 18687 19089 19090 19092 19093 25353 25357 25360 25361 25362 4152 4193 4350
PDB
DBJ BAA14303 BAB33950 BAE76253 BAG76023 BAI23848
EMBL CAA26840 CAF33430 CAF33431 CAF33432 CAF33433
GB AAA23461 AAB40228 AAC73576 AAG54823 AAM94352
REF NP_308554 NP_415007 NP_706367 WP_001220233 WP_001220235
SP A7ZIN4 A7ZXD2 B1IZC0 B1LJN2 B1XFR1
AlphaFold A7ZIN4 A7ZXD2 B1IZC0 B1LJN2 B1XFR1

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