BMRB Entry 25361

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25361

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Title:
Backbone 1H and 15N Chemical Shift Assignments for Y171W mutant of Adenylate Kinase in complex with Ap5a for state a
Deposition date:
2014-11-21
Original release date:
2015-08-21
Authors:
Kovermann, Michael; Wolf-Watz, Magnus
Citation:

Citation: Kovermann, Michael; Aden, Jorgen; Grundstrom, Christin; Sauer-Eriksson, Elisabeth; Sauer, Uwe; Wolf-Watz, Magnus. "Structural basis for catalytically restrictive dynamics of a high-energy enzyme state"  Nat. Commun. 6, .-. (2015).
PubMed: 26138143

Assembly members:

Assembly members:
Adenylate_Kinase_Y171W, polymer, 214 residues, Formula weight is not available
BIS(ADENOSINE)-5'-PENTAPHOSPHATE, non-polymer, 916.367 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: pEAK-91 vector

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Adenylate_Kinase_Y171W: MRIILLGAPGAGKGTQAQFI MEKYGIPQISTGDMLRAAVK SGSELGKQAKDIMDAGKLVT DELVIALVKERIAQEDCRNG FLLDGFPRTIPQADAMKEAG INVDYVLEFDVPDELIVDRI VGRRVHAPSGRVYHVKFNPP KVEGKDDVTGEELTTRKDDQ EETVRKRLVEWHQMTAPLIG YYSKEAEAGNTKYAKVDGTK PVAEVRADLEKILG

Data sets:
Data typeCount
15N chemical shifts194
1H chemical shifts194

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Adenylate Kinase Y171W1
2Ap5a2

Entities:

Entity 1, Adenylate Kinase Y171W 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   TRPHISGLNMETTHRALAPROLEUILEGLY
19   TYRTYRSERLYSGLUALAGLUALAGLYASN
20   THRLYSTYRALALYSVALASPGLYTHRLYS
21   PROVALALAGLUVALARGALAASPLEUGLU
22   LYSILELEUGLY

Entity 2, Ap5a - C20 H29 N10 O22 P5 - 916.367 Da.

1   AP5

Samples:

sample_1: Adenylate Kinase Y171W, [U-100% 15N], 0.7 mM; Ap5a 3 mM; sodium chloride 50 mM; MOPS 30 mM; H2O 95%; D2O 5%

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Johnson, One Moon Scientific - collection, data analysis, processing

NMR spectrometers:

  • Bruker Avance 850 MHz

Related Database Links:

BMRB 18683 18685 18686 18687 19089 19090 19091 19092 19093 25353 25357 25360 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