BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 18252

Title: Cdc42Hs-GMPPCP-PBD46 Complex   PubMed: 25109462

Deposition date: 2012-02-09 Original release date: 2019-09-03

Authors: Moorman, Veronica; Dogan, Jakob; Love, Fiona; Valentine, Kathleen; Wand, Joshua

Citation: Moorman, Veronica; Valentine, Kathleen; Bedard, Sabrina; Kasinath, Vignesh; Dogan, Jakob; Love, Fiona; Wand, A Joshua. "Dynamic and thermodynamic response of the Ras protein Cdc42Hs upon association with the effector domain of PAK3"  J. Mol. Biol. 426, 3520-3538 (2014).

Assembly members:
Cdc42Hs, polymer, 180 residues, Formula weight is not available
PBD46, polymer, 46 residues, Formula weight is not available

Natural source:   Common Name: Humans   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
Cdc42Hs: GSMQTIKCVVVGDGAVGKTC LLISYTTNKFPSEYVPTVFD NYAVTVMIGGEPYTLGLFDT AGQEDYDRLRPLSYPQTDVF LVCFSVVSPSSFENVKEKWV PEITHHCPKTPFLLVGTQID LRDDPSTIEKLAKNKQKPIT PETAEKLARDLKAVKYVECS ALTQKGLKNVFDEAILAALE
PBD46: GSKERPEISLPSDFEHTIHV GFDAVTGEFTGIPEQWARLL QTSNIT

Data sets:
Data typeCount
13C chemical shifts209
15N chemical shifts138
1H chemical shifts414
order parameters192

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Cdc42Hs1
2PBD462

Entities:

Entity 1, Cdc42Hs 180 residues - Formula weight is not available

1   GLYSERMETGLNTHRILELYSCYSVALVAL
2   VALGLYASPGLYALAVALGLYLYSTHRCYS
3   LEULEUILESERTYRTHRTHRASNLYSPHE
4   PROSERGLUTYRVALPROTHRVALPHEASP
5   ASNTYRALAVALTHRVALMETILEGLYGLY
6   GLUPROTYRTHRLEUGLYLEUPHEASPTHR
7   ALAGLYGLNGLUASPTYRASPARGLEUARG
8   PROLEUSERTYRPROGLNTHRASPVALPHE
9   LEUVALCYSPHESERVALVALSERPROSER
10   SERPHEGLUASNVALLYSGLULYSTRPVAL
11   PROGLUILETHRHISHISCYSPROLYSTHR
12   PROPHELEULEUVALGLYTHRGLNILEASP
13   LEUARGASPASPPROSERTHRILEGLULYS
14   LEUALALYSASNLYSGLNLYSPROILETHR
15   PROGLUTHRALAGLULYSLEUALAARGASP
16   LEULYSALAVALLYSTYRVALGLUCYSSER
17   ALALEUTHRGLNLYSGLYLEULYSASNVAL
18   PHEASPGLUALAILELEUALAALALEUGLU

Entity 2, PBD46 46 residues - Formula weight is not available

1   GLYSERLYSGLUARGPROGLUILESERLEU
2   PROSERASPPHEGLUHISTHRILEHISVAL
3   GLYPHEASPALAVALTHRGLYGLUPHETHR
4   GLYILEPROGLUGLNTRPALAARGLEULEU
5   GLNTHRSERASNILETHR

Samples:

sample_1: Cdc42Hs, [U-13C; U-15N], 1.0 mM; PBD46, [U-15N], 1.1 mM; GMPPCP 155 uM; imidazole 20 mM; magnesium chloride 5 mM; DSS 20 uM; sodium azide 0.04 %w/v; H2O 92%; D2O 8%

sample_2: Cdc42Hs, [U-15N], 0.88 mM; PBD46, [U-15N], 0.06 mM; GMPPCP 155 uM; imidazole 20 mM; magnesium chloride 5 mM; DSS 20 uM; sodium azide 0.04 %w/v; H2O 95%; D2O 5%

sample_3: Cdc42Hs, U-[15N,2H]; IleD1,Leu,Val- [13CHD2], 0.88 mM; PBD46, [U-15N];[U-2H], 1.06 mM; GMPPCP 155 uM; imidazole 20 mM; magnesium chloride 5 mM; DSS 20 uM; sodium azide 0.04 %w/v; H2O 98%; D2O 2%

sample_4: Cdc42Hs, [U-10% 13C; U-100% 15N], 1.0 mM; PBD46, [U-15N], 1.1 mM; GMPPCP 155 uM; imidazole 20 mM; magnesium chloride 5 mM; DSS 20 uM; sodium azide 0.04 %w/v; H2O 92%; D2O 8%

sample_5: Cdc42Hs, [U-13C; U-15N], 1.0 mM; PBD46, [U-15N], 1.1 mM; GMPPCP 155 uM; imidazole 20 mM; magnesium chloride 5 mM; DSS 20 uM; sodium azide 0.04 %w/v; H2O 98%; D2O 2%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298.15 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D H(C)CH-COSYsample_1isotropicsample_conditions_1
3D H(C)CH-TOCSYsample_1isotropicsample_conditions_1
3D methyl (H)CCH-TOCSYsample_5isotropicsample_conditions_1
2D 1H-13C HSQCsample_4isotropicsample_conditions_1
T1 N-H relaxationsample_2isotropicsample_conditions_1
T1 N-H relaxationsample_2isotropicsample_conditions_1
T2 N-H relaxationsample_2isotropicsample_conditions_1
T2 N-H relaxationsample_2isotropicsample_conditions_1
NOE N-H relaxationsample_2isotropicsample_conditions_1
NOE N-H relaxationsample_2isotropicsample_conditions_1
T1 CHD2 relaxationsample_3isotropicsample_conditions_1
T1 CHD2 relaxationsample_3isotropicsample_conditions_1
T1rho CHD2 relaxationsample_3isotropicsample_conditions_1
T1rho CHD2 relaxationsample_3isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

FELIX, Accelrys Software Inc. - processing

SPARKY, Goddard - peak picking

in_house_software, wandlab.org - data analysis

NMR spectrometers:

  • Bruker Avance 750 MHz
  • Bruker Avance 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts