BMRB Entry 51050

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51050

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Title:
Monomeric Cdk2 bound to roscovitine
Deposition date:
2021-08-06
Original release date:
2021-08-12
Authors:
Burban, David; Levinson, Nicholas; Subrahmanian, Manu; Veglia, Gianluigi
Citation:

Citation: Majumdar, Abir; Burban, David; Muretta, Joseph; Thompson, Andrew; Engel, Tiffany; Rasmussen, Damien; Subrahmanian, Manu; Veglia, Gianluigi; Thomas, David; Levinson, Nicholas. "Allostery governs Cdk2 activation and differential recognition of CDK inhibitors."  Nat. Chem. Biol. 17, 456-464 (2021).
PubMed: 33526892

Assembly members:

Assembly members:
entity_1, polymer, 298 residues, Formula weight is not available
entity_RRC, non-polymer, 354.449 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: pCDF-Duet

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MENFQKVEKIGEGTYGVVYK ARNKLTGEVVALKKIRLDTE TEGVPSTAIREISLLKELNH PNIVKLLDVIHTENKLYLVF EFLHQDLKKFMDASALTGIP LPLIKSYLFQLLQGLAFCHS HRVLHRDLKPQNLLINTEGA IKLADFGLARAFGVPVRTYT HEVVTLWYRAPEILLGCKYY STAVDIWSLGCIFAEMVTRR ALFPGDSEIDQLFRIFRTLG TPDEVVWPGVTSMPDYKPSF PKWARQDFSKVVPPLDEDGR SLLSQMLHYDPNKRISAKAA LAHPFFQDVTKPVPHLRL

Data sets:
Data typeCount
13C chemical shifts419
15N chemical shifts127
1H chemical shifts127

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Cdk21
2Roscovitine2

Entities:

Entity 1, Cdk2 298 residues - Formula weight is not available

1   METGLUASNPHEGLNLYSVALGLULYSILE
2   GLYGLUGLYTHRTYRGLYVALVALTYRLYS
3   ALAARGASNLYSLEUTHRGLYGLUVALVAL
4   ALALEULYSLYSILEARGLEUASPTHRGLU
5   THRGLUGLYVALPROSERTHRALAILEARG
6   GLUILESERLEULEULYSGLULEUASNHIS
7   PROASNILEVALLYSLEULEUASPVALILE
8   HISTHRGLUASNLYSLEUTYRLEUVALPHE
9   GLUPHELEUHISGLNASPLEULYSLYSPHE
10   METASPALASERALALEUTHRGLYILEPRO
11   LEUPROLEUILELYSSERTYRLEUPHEGLN
12   LEULEUGLNGLYLEUALAPHECYSHISSER
13   HISARGVALLEUHISARGASPLEULYSPRO
14   GLNASNLEULEUILEASNTHRGLUGLYALA
15   ILELYSLEUALAASPPHEGLYLEUALAARG
16   ALAPHEGLYVALPROVALARGTHRTYRTHR
17   HISGLUVALVALTHRLEUTRPTYRARGALA
18   PROGLUILELEULEUGLYCYSLYSTYRTYR
19   SERTHRALAVALASPILETRPSERLEUGLY
20   CYSILEPHEALAGLUMETVALTHRARGARG
21   ALALEUPHEPROGLYASPSERGLUILEASP
22   GLNLEUPHEARGILEPHEARGTHRLEUGLY
23   THRPROASPGLUVALVALTRPPROGLYVAL
24   THRSERMETPROASPTYRLYSPROSERPHE
25   PROLYSTRPALAARGGLNASPPHESERLYS
26   VALVALPROPROLEUASPGLUASPGLYARG
27   SERLEULEUSERGLNMETLEUHISTYRASP
28   PROASNLYSARGILESERALALYSALAALA
29   LEUALAHISPROPHEPHEGLNASPVALTHR
30   LYSPROVALPROHISLEUARGLEU

Entity 2, Roscovitine - C19 H26 N6 O - 354.449 Da.

1   RRC

Samples:

sample_1: Cyclin Dependent Kinase 2, [U-13C; U-15N; U-2H], 350 uM; Roscovitine 1 mM; D2O, [U-2H], 10%; NaPO4 10 mM; NaCl 140 mM; DTT 10 mM; MgCl2 10 mM

sample_2: Cyclin Dependent Kinase 2, [U-15N]-Lys, 300 uM; Roscovitine 1 mM; D2O, [U-2H], 10%; NaPO4 10 mM; NaCl 140 mM; DTT 10 mM; MgCl2 10 mM

sample_3: Cyclin Dependent Kinase 2, [U-15N]-Leu, 300 uM; Roscovitine 1 mM; D2O, [U-2H], 10%; NaPO4 10 mM; NaCl 140 mM; DTT 10 mM; MgCl2 10 mM

sample_4: Cyclin Dependent Kinase 2, [U-15N]-Phe, 300 uM; Roscovitine 1 mM; D2O, [U-2H], 10%; NaPO4 10 mM; NaCl 140 mM; DTT 10 mM; MgCl2 10 mM

sample_5: Cyclin Dependent Kinase 2, [U-15N]-Val, 300 uM; Roscovitine 1 mM; D2O, [U-2H], 10%; NaPO4 10 mM; NaCl 140 mM; DTT 10 mM; MgCl2 10 mM

sample_6: Cyclin Dependent Kinase 2, [U-15N]-Ile, 300 uM; Roscovitine 1 mM; D2O, [U-2H], 10%; NaPO4 10 mM; NaCl 140 mM; DTT 10 mM; MgCl2 10 mM

sample_7: Cyclin Dependent Kinase 2, [U-15N]-Tyr, 300 uM; Roscovitine 1 mM; D2O, [U-2H], 10%; NaPO4 10 mM; NaCl 140 mM; DTT 10 mM; MgCl2 10 mM

sample_conditions_1: ionic strength: 0.2 M; pH: 7.4; pressure: 1 atm; temperature: 298.1 K

Experiments:

NameSampleSample stateSample conditions
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
2D 1H-15N TROSYsample_3isotropicsample_conditions_1
2D 1H-15N TROSYsample_4isotropicsample_conditions_1
2D 1H-15N TROSYsample_5isotropicsample_conditions_1
2D 1H-15N TROSYsample_7isotropicsample_conditions_1
2D 1H-15N TROSYsample_6isotropicsample_conditions_1
2D 1H-15N TROSYsample_7isotropicsample_conditions_1

Software:

TOPSPIN - collection

NMRPipe - processing

NMRFAM-SPARKY - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 900 MHz
  • Bruker AVANCE III 850 MHz

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