BMRB Entry 11010

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR11010
MolProbity Validation Chart

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Title:
Rac1/PRK1 Complex
Deposition date:
2007-10-25
Original release date:
2008-06-27
Authors:
Modha, Rakhee; Campbell, Louise; Nietlispach, Daniel; Buhecha, Heeran; Owen, Darerca; Mott, Helen
Citation:

Citation: Modha, Rakhee; Campbell, Louise; Nietlispach, Daniel; Buhecha, Heeran; Owen, Darerca; Mott, Helen. "The Rac1 polybasic region is required for interaction with its effector PRK1"  J. Biol. Chem. 283, 1492-1500 (2008).
PubMed: 18006505

Assembly members:

Assembly members:
Rac1, polymer, 192 residues, 21477.398 Da.
PRK1_HR1b, polymer, 81 residues, 9019.512 Da.
GCP, non-polymer, 521.208 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: pGEX-2T

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Rac1: MQAIKCVVVGDGAVGKTCLL ISYTTNAFPGEYIPTVFDNY SANVMVDGKPVNLGLWDTAG LEDYDRLRPLSYPQTDVFLI CFSLVSPASFENVRAKWYPE VRHHCPNTPIILVGTKLDLR DDKDTIEKLKEKKLTPITYP QGLAMAKEIGAVKYLECSAL TQRGLKTVFDEAIRAVLCPP PVKKRKRKCLLL
PRK1_HR1b: GIPATNLSRVAGLEKQLAIE LKVKQGAENMIQTYSNGSTK DRKLLLTAQQMLQDSKTKID IIRMQLRRALQADQLENQAA P

Data sets:
Data typeCount
13C chemical shifts970
15N chemical shifts248
1H chemical shifts1666

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Rac11
2PRK1 HR1b2
3PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER3

Entities:

Entity 1, Rac1 192 residues - 21477.398 Da.

1   METGLNALAILELYSCYSVALVALVALGLY
2   ASPGLYALAVALGLYLYSTHRCYSLEULEU
3   ILESERTYRTHRTHRASNALAPHEPROGLY
4   GLUTYRILEPROTHRVALPHEASPASNTYR
5   SERALAASNVALMETVALASPGLYLYSPRO
6   VALASNLEUGLYLEUTRPASPTHRALAGLY
7   LEUGLUASPTYRASPARGLEUARGPROLEU
8   SERTYRPROGLNTHRASPVALPHELEUILE
9   CYSPHESERLEUVALSERPROALASERPHE
10   GLUASNVALARGALALYSTRPTYRPROGLU
11   VALARGHISHISCYSPROASNTHRPROILE
12   ILELEUVALGLYTHRLYSLEUASPLEUARG
13   ASPASPLYSASPTHRILEGLULYSLEULYS
14   GLULYSLYSLEUTHRPROILETHRTYRPRO
15   GLNGLYLEUALAMETALALYSGLUILEGLY
16   ALAVALLYSTYRLEUGLUCYSSERALALEU
17   THRGLNARGGLYLEULYSTHRVALPHEASP
18   GLUALAILEARGALAVALLEUCYSPROPRO
19   PROVALLYSLYSARGLYSARGLYSCYSLEU
20   LEULEU

Entity 2, PRK1 HR1b 81 residues - 9019.512 Da.

Residues 119-121 represent a non-native affinity tag

1   GLYILEPROALATHRASNLEUSERARGVAL
2   ALAGLYLEUGLULYSGLNLEUALAILEGLU
3   LEULYSVALLYSGLNGLYALAGLUASNMET
4   ILEGLNTHRTYRSERASNGLYSERTHRLYS
5   ASPARGLYSLEULEULEUTHRALAGLNGLN
6   METLEUGLNASPSERLYSTHRLYSILEASP
7   ILEILEARGMETGLNLEUARGARGALALEU
8   GLNALAASPGLNLEUGLUASNGLNALAALA
9   PRO

Entity 3, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER - C11 H18 N5 O13 P3 - 521.208 Da.

1   GCP

Samples:

Deuterated_Rac: Rac1, [U-13C; U-15N; U-2H], 0.6 mM; PRK1 HR1b 0.6 mM; PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER 0.7 mM; Tris-HCl 10 mM; NaCl 200 mM; MgCl2 5 mM; dithiothreitol 10 mM; NaN3 0.05%; H2O 90%; D2O 10%

13C_15N_Rac1: Rac1, [U-100% 13C; U-100% 15N], 0.6 mM; PRK1 HR1b 0.6 mM; PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER 0.7 mM; Tris-HCl 10 mM; NaCl 200 mM; MgCl2 5 mM; dithiothreitol 10 mM; NaN3 0.05%; H2O 90%; D2O 10%

15N_Rac: Rac1, [U-100% 15N], 0.6 mM; PRK1 HR1b 0.6 mM; PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER 0.7 mM; Tris-HCl 10 mM; NaCl 200 mM; MgCl2 5 mM; dithiothreitol 10 mM; NaN3 0.05%; H2O 90%; D2O 10%

13C_15N_HR1b: Rac1 0.6 mM; PRK1 HR1b, [U-100% 13C; U-100% 15N], 0.6 mM; PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER 0.7 mM; Tris-HCl 10 mM; NaCl 200 mM; MgCl2 5 mM; dithiothreitol 10 mM; NaN3 0.05%; H2O 90%; D2O 10%

15N_HR1b: Rac1 0.6 mM; PRK1 HR1b, [U-100% 15N], 0.6 mM; PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER 0.7 mM; Tris-HCl 10 mM; NaCl 200 mM; MgCl2 5 mM; dithiothreitol 10 mM; NaN3 0.05%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 225 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-13C NOESY13C_15N_Rac1isotropicsample_conditions_1
3D 1H-13C NOESY13C_15N_HR1bisotropicsample_conditions_1

Software:

AZARA v2.7, Boucher - processing

ANSIG, Kraulis - chemical shift assignment

ARIA v1.2, Linge, O'Donoghue and Nilges - data analysis

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

  • Bruker DRX 600 MHz
  • Bruker DRX 800 MHz

Related Database Links:

SP P63000 P62998 P62999 P63000 P63001 Q6RUV5
PDB
DBJ BAB25667 BAB26027 BAB69451 BAC16311 BAC28767
EMBL CAA39801 CAA40545 CAB53579 CAJ83626 CDQ72552
GB AAA36537 AAA36544 AAB22206 AAC18960 AAD50299
REF NP_001003274 NP_001004840 NP_001034907 NP_001084224 NP_001089332
TPG DAA15019
SWS Q16512
AlphaFold Q9BTB4 P62998 P62999 P63000 P63001 Q6RUV5

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