BMRB Entry 51681

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51681

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Title:
Assignment for optoallosteric GTPase, Cdc42Lov
Deposition date:
2022-11-01
Original release date:
2023-06-23
Authors:
Jain, Abha; Lee, Andrew
Citation:

Citation: Jain, Abha; Dokholyan, Nikolay; Lee, Andrew. "Allosteric inactivation of an engineered optogenetic GTPase"  Proc. Natl. Acad. Sci. U. S. A. 120, e2219254120-e2219254120 (2023).
PubMed: 36972433

Assembly members:

Assembly members:
entity_1, polymer, 329 residues, Formula weight is not available
entity_FMN, non-polymer, 456.344 Da.
entity_GDP, non-polymer, 443.201 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET24a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GAMQTIKCVVVGDGAVGKTC LLISYTTNKFPSEYVPSVFD NYAVTVMIGGSGLATTLERI EKNFVITDPRLPDNPIIFAS DSFLQLTEYSREEILGRNCR FLQGPETDRATVRKIRDAID NQTEVTVQLINYTKSGKKFW NLFHLQPMRDQKGDVQYFIG VQLDGTEHVRDAAEREGVML IKKTAENIDEAAKELGSGGE PYTLGLFDTAGLEDYDRLRP LSYPQTDVFLVCFSVVSPSS FENVKEKWVPEITHHCPKTP FLLVGTQIDLRDDPSTIEKL AKNKQKPITPETAEKLARDL KAVKYVECSALTQKGLKNVF DEAILAALE

Data sets:
Data typeCount
13C chemical shifts688
15N chemical shifts213
1H chemical shifts213

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Cdc42Lov1
2Cdc42Lov2
3Cdc42Lov3

Entities:

Entity 1, Cdc42Lov 329 residues - Formula weight is not available

1   GLYALAMETGLNTHRILELYSCYSVALVAL
2   VALGLYASPGLYALAVALGLYLYSTHRCYS
3   LEULEUILESERTYRTHRTHRASNLYSPHE
4   PROSERGLUTYRVALPROSERVALPHEASP
5   ASNTYRALAVALTHRVALMETILEGLYGLY
6   SERGLYLEUALATHRTHRLEUGLUARGILE
7   GLULYSASNPHEVALILETHRASPPROARG
8   LEUPROASPASNPROILEILEPHEALASER
9   ASPSERPHELEUGLNLEUTHRGLUTYRSER
10   ARGGLUGLUILELEUGLYARGASNCYSARG
11   PHELEUGLNGLYPROGLUTHRASPARGALA
12   THRVALARGLYSILEARGASPALAILEASP
13   ASNGLNTHRGLUVALTHRVALGLNLEUILE
14   ASNTYRTHRLYSSERGLYLYSLYSPHETRP
15   ASNLEUPHEHISLEUGLNPROMETARGASP
16   GLNLYSGLYASPVALGLNTYRPHEILEGLY
17   VALGLNLEUASPGLYTHRGLUHISVALARG
18   ASPALAALAGLUARGGLUGLYVALMETLEU
19   ILELYSLYSTHRALAGLUASNILEASPGLU
20   ALAALALYSGLULEUGLYSERGLYGLYGLU
21   PROTYRTHRLEUGLYLEUPHEASPTHRALA
22   GLYLEUGLUASPTYRASPARGLEUARGPRO
23   LEUSERTYRPROGLNTHRASPVALPHELEU
24   VALCYSPHESERVALVALSERPROSERSER
25   PHEGLUASNVALLYSGLULYSTRPVALPRO
26   GLUILETHRHISHISCYSPROLYSTHRPRO
27   PHELEULEUVALGLYTHRGLNILEASPLEU
28   ARGASPASPPROSERTHRILEGLULYSLEU
29   ALALYSASNLYSGLNLYSPROILETHRPRO
30   GLUTHRALAGLULYSLEUALAARGASPLEU
31   LYSALAVALLYSTYRVALGLUCYSSERALA
32   LEUTHRGLNLYSGLYLEULYSASNVALPHE
33   ASPGLUALAILELEUALAALALEUGLU

Entity 2, Cdc42Lov - C17 H21 N4 O9 P - 456.344 Da.

1   FMN

Entity 3, Cdc42Lov - C10 H15 N5 O11 P2 - 443.201 Da.

1   GDP

Samples:

sample_1: Cdc42Lov, [U-13C; U-15N; U-2H], 350 uM; Tris-Cl 25 mM; NaCl 150 mM; MgCl2 5 mM; NaN3 0.10%; DTT 5 mM; GDP 200 mM

sample_conditions_1: pH: 7.5; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1

Software:

NMRViewJ - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 850 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