BMRB Entry 19208

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19208

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Title:
Backbone resonance assignments of the 42 kDa enzyme arginine kinase in the transition state analogue form
Deposition date:
2013-04-30
Original release date:
2013-11-18
Authors:
Davulcu, Omar; Skalicky, Jack; Chapman, Michael
Citation:

Citation: Davulcu, Omar; Niu, Xiaogang; Bruschweiler-Li, Lei; Bruschweiler, Rafael; Skalicky, Jack; Chapman, Michael. "Backbone resonance assignments of the 42kDa enzyme arginine kinase in the transition state analogue form."  Biomol. NMR Assignments ., .-. (2013).
PubMed: 23893440

Assembly members:

Assembly members:
Arginine_kinase, polymer, 357 residues, 42000 Da.
ADENOSINE-5'-DIPHOSPHATE, non-polymer, 427.201 Da.
MAGNESIUM ION, non-polymer, 24.305 Da.
ARGININE, non-polymer, 175.209 Da.
NITRATE ION, non-polymer, 62.005 Da.

Natural source:

Natural source:   Common Name: Atlantic horseshoe crab   Taxonomy ID: 6850   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Limulus polyphemus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-22b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Arginine_kinase: MVDQATLDKLEAGFKKLQEA SDCKSLLKKHLTKDVFDSIK NKKTGMGATLLDVIQSGVEN LDSGVGIYAPDAESYRTFGP LFDPIIDDYHGGFKLTDKHP PKEWGDINTLVDLDPGGQFI ISTRVRCGRSLQGYPFNPCL TAEQYKEMEEKVSSTLSSME DELKGTYYPLTGMSKATQQQ LIDDHFLFKEGDRFLQTANA CRYWPTGRGIFHNDAKTFLV WVNEEDHLRIISMQKGGDLK TVYKRLVTAVDNIESKLPFS HDDRFGFLTFCPTNLGTTMR ASVHIQLPKLAKDRKVLEDI ASKFNLQVRGTRGEHTESEG GVYDISNKRRLGLTEYQAVR EMQDGILEMIKMEKAAA

Data sets:
Data typeCount
13C chemical shifts963
15N chemical shifts324
1H chemical shifts325

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Arginine kinase1
2ADP2
3Mg3
4Arginine4
5Nitrate5

Entities:

Entity 1, Arginine kinase 357 residues - 42000 Da.

1   METVALASPGLNALATHRLEUASPLYSLEU
2   GLUALAGLYPHELYSLYSLEUGLNGLUALA
3   SERASPCYSLYSSERLEULEULYSLYSHIS
4   LEUTHRLYSASPVALPHEASPSERILELYS
5   ASNLYSLYSTHRGLYMETGLYALATHRLEU
6   LEUASPVALILEGLNSERGLYVALGLUASN
7   LEUASPSERGLYVALGLYILETYRALAPRO
8   ASPALAGLUSERTYRARGTHRPHEGLYPRO
9   LEUPHEASPPROILEILEASPASPTYRHIS
10   GLYGLYPHELYSLEUTHRASPLYSHISPRO
11   PROLYSGLUTRPGLYASPILEASNTHRLEU
12   VALASPLEUASPPROGLYGLYGLNPHEILE
13   ILESERTHRARGVALARGCYSGLYARGSER
14   LEUGLNGLYTYRPROPHEASNPROCYSLEU
15   THRALAGLUGLNTYRLYSGLUMETGLUGLU
16   LYSVALSERSERTHRLEUSERSERMETGLU
17   ASPGLULEULYSGLYTHRTYRTYRPROLEU
18   THRGLYMETSERLYSALATHRGLNGLNGLN
19   LEUILEASPASPHISPHELEUPHELYSGLU
20   GLYASPARGPHELEUGLNTHRALAASNALA
21   CYSARGTYRTRPPROTHRGLYARGGLYILE
22   PHEHISASNASPALALYSTHRPHELEUVAL
23   TRPVALASNGLUGLUASPHISLEUARGILE
24   ILESERMETGLNLYSGLYGLYASPLEULYS
25   THRVALTYRLYSARGLEUVALTHRALAVAL
26   ASPASNILEGLUSERLYSLEUPROPHESER
27   HISASPASPARGPHEGLYPHELEUTHRPHE
28   CYSPROTHRASNLEUGLYTHRTHRMETARG
29   ALASERVALHISILEGLNLEUPROLYSLEU
30   ALALYSASPARGLYSVALLEUGLUASPILE
31   ALASERLYSPHEASNLEUGLNVALARGGLY
32   THRARGGLYGLUHISTHRGLUSERGLUGLY
33   GLYVALTYRASPILESERASNLYSARGARG
34   LEUGLYLEUTHRGLUTYRGLNALAVALARG
35   GLUMETGLNASPGLYILELEUGLUMETILE
36   LYSMETGLULYSALAALAALA

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

1   ADP

Entity 3, Mg - Mg - 24.305 Da.

1   MG

Entity 4, Arginine - C6 H15 N4 O2 - 175.209 Da.

1   ARG

Entity 5, Nitrate - N O3 - 62.005 Da.

1   NO3

Samples:

Arginine_kinase_transition_state_analogue_complex: Arginine kinase, [U-100% 13C; U-100% 15N; U-80% 2H], 1.8 mM; ADENOSINE-5'-DIPHOSPHATE 6.0 mM; MAGNESIUM ION 8.0 mM; NITRATE ION 20.0 mM; ARGININE 60.0 mM; DTT 1.0 mM; sodium azide 200.0 uM; imidazole, [U-2H], 10.0 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298.0 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCArginine_kinase_transition_state_analogue_complexisotropicsample_conditions_1
3D HNCACBArginine_kinase_transition_state_analogue_complexisotropicsample_conditions_1
3D HN(CO)CACBArginine_kinase_transition_state_analogue_complexisotropicsample_conditions_1
3D HN(CO)CAArginine_kinase_transition_state_analogue_complexisotropicsample_conditions_1
3D HN(CA)COArginine_kinase_transition_state_analogue_complexisotropicsample_conditions_1
3D HNCOArginine_kinase_transition_state_analogue_complexisotropicsample_conditions_1
3D 1H-15N NOESYArginine_kinase_transition_state_analogue_complexisotropicsample_conditions_1

Software:

FELIX v2007, Accelrys Software Inc. - processing

SPARKY v3, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
GB AAA82169
PRF 2104180A
REF NP_001301013 XP_013787786
SP P51541
AlphaFold P51541

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