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Recombinant UDE is eluted in two distinct peaks with different chromatographic techniques, suggesting the existence of two distinct conformational states of the enzyme: RNA-bound RNA–UDE

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has major conformational effects and is potentially

involved in protein folding

Angela Bekesi1, Maria Pukancsik1, Peter Haasz1, Lilla Felfoldi1, Ibolya Leveles1, Villo Muha1,

Eva Hunyadi-Gulyas2, Anna Erdei3, Katalin F Medzihradszky2,4and Beata G Vertessy1,5

1 Institute of Enzymology, Biological Research Centre, Hungarian Academy of Sciences, Budapest, Hungary

2 Proteomics Research Group, Biological Research Centre, Hungarian Academy of Sciences, Szeged, Hungary

3 Department of Immunology, Eo¨tvo¨s Lora´nd University of Sciences, Budapest, Hungary

4 Department of Pharmaceutical Chemistry, University of California, San Francisco, USA

5 Department of Applied Biotechnology, Budapest University of Technology and Economics, Hungary

Introduction

Genomic information stored in DNA is under constant

threat from spontaneous chemical modifications,

occurring under normal physiological conditions One

of the most frequent spontaneous base transitions

is hydrolytic deamination of cytosine to form uracil[1–3] This alteration is mutagenic, as it will convert to

Keywords

conformational states; cotranslational

folding; RNA-assisted folding; RNA binding;

uracil-DNA-degrading factor

Correspondence

A Bekesi and B G Vertessy, Karolina

Street 29, H-1113 Budapest, Hungary

identi-of a new protein family with unique enzyme activity that has a putativerole in insect development In addition, UDE may also serve as potentialtool in molecular biological applications Owing to lack of homology withother proteins with known structure and⁄ or function, de novo data arerequired for a detailed characterization of UDE structure and function.Here, experimental evidence is provided that recombinant protein is present

in two distinct conformers One of these contains a significant amount ofRNA strongly bound to the protein, influencing its conformation Detailedbiophysical characterization of the two distinct conformational states(termed UDE and RNA–UDE) revealed essential differences UDE cannot

be converted into RNA–UDE by addition of the same RNA, implyingputatively joint processes of RNA binding and protein folding in this con-formational species By real-time PCR and sequencing after random clon-ing, the bound RNA pool was shown to consist of UDE mRNA and thetwo ribosomal RNAs, also suggesting cotranslational RNA-assisted fold-ing This finding, on the one hand, might open a way to obtain a conform-ationally homogeneous UDE preparation, promoting successfulcrystallization; on the other hand, it might imply a further molecular func-tion of the protein In fact, RNA-dependent complexation of UDE wasalso demonstrated in a fruit fly pupal extract, suggesting physiological rele-vance of RNA binding of this DNA-processing enzyme

Abbreviations

ANS, 8-anilinonaphthalene-1-sulfonate; EMSA, electrophoretic mobility shift assay; GAPDH, glyceraldehyde-3-phosphate dehydrogenase; NLS, nuclear localization signal; UDE, uracil-DNA-degrading factor protein; UDG, uracil-DNA glycosylase.

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a stable point mutation (G:C fi A:T) An alternative

pathway for uracil appearance in DNA is

thymine-replacing misincorporation, which is usually efficiently

prevented by the action of dUTPase, which sanitizes

the dUTP⁄ dTTP pool [4] Repair of uracil-substituted

DNA is initiated by uracil-DNA glycosylases (UDGs)

in an almost ubiquitous manner The major UDG

enzyme, the product of the ung gene, excises both

deaminated cytosine and thymine-replacing uracil with

high efficiency In Drosophila melanogaster, the

well-annotated genome provides unequivocal evidence for

lack of ung [5] This situation, together with the lack

of dUTPase, which is responsible for preventing

thymine-replacing uracil incorporation into DNA, in

larval tissues may allow accumulation of

uracil-containing DNA at least at specific developmental

stages [6] By the use of affinity chromatography for

searching additional uracil-DNA-recognizing factors in

late larval extracts, a specific uracil-DNA-degrading

protein (UDE), with homologues only in pupating

insect genomes, was identified and partially

character-ized [7,8]

The DNA-degrading activity of UDE necessarily

involves the formation of a functional DNA–protein

complex In fact, the DNA-binding ability of UDE

was evident in the first experiments [7], but sequence

homology searches did not reveal any already

described nucleic acid-binding sequence motifs No 3D

structure is yet available for any UDE-homologue

pro-tein Trials for structural modelling by fold recognition

methods suggested a novel fold for the UDE protein

Alignment of UDE homologue sequences identified

five conserved motifs, the first two segments of which

are extended and show significant homology with each

other (termed 1A and 1B) [7] De novo 3D modelling

of the 1A⁄ 1B fragments revealed the existence of two

helical bundles with an extended surface formed by

conserved positively charged residues [8] These results,

together with DNA-binding-induced protection against

limited proteolysis, suggested that DNA binding may

occur in this region [8] Detailed characterization of

the interaction between UDE and nucleic acids is

expected to provide important insights into specific

aspects of the novel activity

In the present work, we aimed to characterize

UDE–nucleic acid complexes Unexpectedly, we found

that a portion of recombinant UDE copurified with

strongly bound RNA On the basis of this finding, we

decided to investigate the effects of RNA binding on

protein structure and stability in detail Recombinant

UDE is eluted in two distinct peaks with different

chromatographic techniques, suggesting the existence

of two distinct conformational states of the enzyme:

RNA-bound (RNA–UDE) and RNA-free (UDE).RNA binding has pronounced effects on thermal sta-bility and the cooperativity of protein unfolding, asshown by thermal transitions monitored by CD andfluorescence spectroscopy Possible effects of RNAbinding on UDE conformation were assayed by CDspectroscopy and by titration of hydrophobic surfacepatches The DNA-binding and RNA-binding abilities

of the enzyme forms were measured by electrophoreticmobility shift assay (EMSA) Characterization of thebound RNA pool by real-time RT-PCR revealed anabundance of UDE mRNA as well as of domain V of23S rRNA These results, together with the character-istics of the two distinct conformational states, suggestputative cofolding of UDE and RNA during transla-tion Physiological relevance of RNA–UDE bindingwas also demonstrated

Results

Two distinct molecular populations of UDE can

be separated by Ni2+-affinity and size exclusionchromatography

In a refined purification method with recombinant tagged UDE (see Experimental procedures), gradientelution was applied on a HisTrap column with AKTApurifier Two distinct fractions of intact full-lengthUDE eluted at about 300 and 600 mm imidazole,respectively (Fig 1A), reflecting their altered affinityfor the Ni2+-column SDS⁄ PAGE indicated the sameelectrophoretic mobility for UDE in both fractions,arguing against protein degradation or observablemodifications (Fig 1A, insert panel) MS analysis ofthe two protein bands further confirmed the lack ofany detectable post-translational modifications (datanot shown) In the first fraction, UDE eluted togetherwith a large amount of nucleic acid, whereas the sec-ond fraction was practically nucleic acid-free Bothfractions were subjected to size exclusion chromatogra-phy, where the nucleic acid-containing fraction eluted

His-in the exclusion volume (correspondHis-ing to an apparentmolecular mass larger than 600 kDa), and the nucleicacid-free fraction eluted at a position corresponding to

an apparent molecular mass of 52 kDa (Fig 1B) viously, we reported purification of UDE by stepwise

Pre-Ni2+-agarose chromatography, which did not allowseparation of these two fractions [8] Size exclusionchromatography of this UDE preparation resulted intwo distinct peaks at the same positions as above Theobservation that full-length UDE can be separated intotwo fractions by applying two different chromato-graphic methods, Ni2+-agarose affinity and size

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exclusion, may suggest the potential existence of two

separate conformational states of the protein, one of

these containing a significant amount of associated

nucleic acid To address the potential significance of

these conformational states, we first wished to

charac-terize the bound nucleic acid

Nucleic acid-binding UDE fraction contains RNA,

and not DNA

On native agarose gel, a smeared band was visualized

in the nucleic acid-containing UDE fraction (Fig 1C)

Test digestions of this UDE preparation by DNase aswell as by RNase A were performed Surprisingly,DNase treatment did not significantly perturb thedetected nucleic acid band, whereas RNase treatmentcompletely eliminated it (Fig 1C) The specific activi-ties of RNase A and DNase were also checked onplasmid DNA; DNase did indeed have strong activity,whereas RNase A was not contaminated by DNaseactivity (data not shown) We therefore conclude thatthe nucleic acid content found in the recombinantUDE preparation that copurifies with UDE on both

Ni2+-agarose and size exclusion chromatography is, in

Fig 1 Purification of recombinant UDE and its RNA binding (A) Elution profile of recombinant UDE in Ni2+-affinity chromatography resulted

in two distinct peaks Fat and thin lines correspond to absorbance of the eluate at 280 and 260 nm, which are characteristic for proteins and nucleic acids, respectively The dashed line shows the imidazole gradient applied to promote the elution of His-tagged UDE Left and right vertical axes indicate absorbance units and imidazole concentration, respectively Two peaks eluted at 300 and 600 m M imidazole, respec- tively; the first contained significant amount of nucleic acid, and the second was practically free of nucleic acids The insert shows the pro- tein contents of the two corresponding fractions (1 and 2) analysed by SDS⁄ PAGE (B) Elution profile of the two UDE fractions in size exclusion chromatography Fat and thin lines show absorbance of the eluate at 280 nm and 260 nm, respectively Black and grey lines corre- spond to the nucleic acid-containing and nucleic acid-free UDE fractions obtained by the previous Ni 2+ -affinity chromatography, respectively The observed values of the elution volume characteristic for the two fractions were 9 and 14.5 mL, corresponding to more than 600-kDa and about 52-kDa apparent molecular masses, respectively (C) The nucleic acid content of the first fraction of UDE was detected on aga- rose gel as RNA Lane 1: nucleic acid containing UDE fraction from Ni2+-affinity chromatography Lane 2: the same treated with DNase Lane 3: the same treated with RNase Lane 4: the same treated with proteinase K Marker positions are indicated on the right (D) DNase and RNase treatment of the nucleic acid containing UDE fraction analysed by size exclusion chromatography also identified the nucleic acid

as RNA Fat and thin lines show absorbance of the eluate at 280 and 260 nm, respectively Nucleic acid-containing UDE without treatment (black), upon DNase treatment (grey) and upon RNase A treatment (light grey) were analysed by size exclusion chromatography Note that RNase A may degrade the nucleic acid content of UDE, resulting in a similar elution profile to that of the nucleic acid-free UDE (B) The large peak at about 20-mL elution volume (light grey chromatogram) might be caused by RNA fragments or nucleotides.

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fact, RNA Therefore, we termed the RNA-containing

UDE fraction RNA–UDE and, in parallel, the

RNA-free UDE fraction as UDE

RNA–UDE was also analysed by size exclusion

chromatography after DNase or RNase treatment

(Fig 1D) DNase treatment did not cause significant

changes in the chromatogram; one single peak in the

exclusion volume with significant nucleic acid content

(compare absorbance values at 260 and 280 nm) was

detected, similarly to what was seen in the

chromato-gram of the untreated sample In contrast, RNase

treatment resulted in a drastic decrease in this peak,

with the concomitant emergence of a small

addi-tional peak at the same position as in the case of

untreated RNA-free UDE The straightforward

sepa-ration of these two UDE species by chromatography

suggested that these species may represent two

confor-mational states

RNA content of RNA–UDE

On native agarose gel, the RNA content of RNA–

UDE appears as a smear at above 10 000-nucleotide

apparent size (Fig 1C) However, upon treatment of

RNA–UDE with proteinase K, a band appeared at a

much lower apparent size; this could correspond to

degradation products of the RNA The observed

sig-nificant gel shift also confirms the binding between the

protein and the RNA in RNA–UDE

To analyse the composition of RNA–UDE, we

per-formed deconvolution of its UV–visible absorbance

spectrum, using the separately determined A260 nm⁄

A280 nm ratios (2 for RNA, and 0.5 for nucleic

acid-free UDE, respectively) On the basis of this analysis,

the ratio is about 17–22 RNA nucleotides per UDE

monomer This also means that several UDE proteins

may bind to the same RNA molecule, suggesting

non-sequence-specific characteristics of the binding

UDE does not show RNA-cleaving activity

UDE was described as a uracil-DNA-degrading factor

It was of interest to investigate whether UDE can also

degrade RNA The results shown in Fig 1C reveal

that the RNA content found to be associated with

UDE during extraction and purification is present as

100–500 nucleotides long molecular species, indicating

that UDE may not exhibit RNase-like degrading

activ-ity To further investigate this, we tested the effect of

both RNA–UDE and UDE on a double-stranded

in vitro synthesized RNA of 471 nucleotides Figure 2

shows that neither RNA–UDE nor UDE possesses

RNA-degrading activity

The above results indicated that UDE may exist intwo distinct conformations that may not be in dynamicequilibrium, as these cannot be converted into eachother under our experimental conditions In one con-formational state, UDE is present in a complex withRNA (RNA–UDE), whereas in the other state, theprotein is practically free of bound nucleic acids(UDE) To determine the specific characteristics ofthese two conformational states, we investigated ther-mal stability, secondary structure, the presence ofexposed hydrophobic surface patches, and the bindingability of RNA and DNA oligonucleotides with regard

to both RNA–UDE and UDE

RNA binding significantly affects thermalunfolding of UDE

We followed the thermal unfolding of gel-filtratedUDE and RNA–UDE fractions by tryptophan fluores-cence (Fig 3A) and by CD spectroscopy (Fig 3B) Inthe case of tryptophan fluorescence, we monitored thespecific local milieu of the four tryptophans within thesequence (Trp10, Trp107, Trp259 and Trp299 withinthe nonconserved N-terminal region, motifs 1A, 3, and

4, respectively [7,8]), and during the CD ments, we followed the global change in the ratio ofdetected secondary structure elements Despite thisbasic dissimilarity between the two methods, the deter-mined Tm values were different by only about 2C,indicating that conformational changes during unfold-ing can be faithfully monitored by both techniques

measure-We found that RNA–UDE had a considerably lowermelting temperature than UDE Interestingly, thislower thermal stability was coupled to much highercooperativity during unfolding, as shown by the steepslope of the RNA–UDE melting transition (Fig 3 andTable 1) These results indicated that, in the absence of

Fig 2 UDE does not have RNase-like activity Both RNA–UDE and UDE were tested for RNase-like activity, using 471-bp dsRNA Incu- bation times are indicated at the top, and marker positions on the right side The observed shift may be caused by the protein–RNA complex Note the absence of significant time-dependent degrada- tion.

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the nucleic acid ligand, UDE may lose some of its

sec-ondary and tertiary interactions, whereas in the

con-formational state characteristic of RNA–UDE, the

protein exists in a more ordered and potentially

meta-stable state The lower melting temperature of RNA–

UDE may reflect dissociation of the RNA followed

immediately by the consequent unfolding of the UDE

protein devoid of RNA Hence, the lower melting

temperature of RNA–UDE might indicate basic

differences between the UDE and RNA–UDE

confor-mations Importantly, unfolding of RNA–UDE occursaccording to a simple two-state model, indicating anintimate interaction between RNA and the protein.Elevated cooperativity in the RNA–UDE state can beexplained by assuming that maintenance of the 3Dprotein structure strongly depends on RNA binding.Such interactions may originate from translational-coupled folding of UDE

For further confirmation of distinct conformationswithin the two states, RNA isolated from RNA–UDE(using Trizol; see Experimental procedures) was added

to UDE In this sample, the melting curve shows thesame phenomenon as in the case of UDE alone(Fig 3A) The fact that the conformation specific toRNA–UDE could not be restored simply by RNAreaddition under the experimental conditions alsosuggests an intrinsic relationship between the RNAbinding and protein folding in RNA–UDE

Interestingly, treatment of RNA–UDE with

RNa-se A did not result in significant changes of the meltingcurve, indicating that the characteristics of the confor-mational state initially detected on the RNA–UDEsample are preserved, at least for the duration of theexperiments (Fig 3B) However, the melting curve offurther purified RNase-treated RNA–UDE was charac-teristic for UDE (Fig 3B), indicating that a transitionfrom the RNA–UDE to the UDE conformational state

is possible, even though it is not an immediate process

On the basis of these results, we propose a scheme ofpossible transitions and relations between the twoconformational states of UDE protein (Fig 4)

RNA–UDE shows an increased amount of helicalcontent as compared with UDE

To characterize the conformational differences betweenRNA–UDE and UDE suggested by thermal stabilitydata, several potentially relevant spectroscopic meth-ods were applied Tryptophan fluorescence showedpractically the same emission maximum wavelength(data not shown); however, CD spectroscopy revealedsignificant differences After accurate determination ofprotein concentrations from UV spectra as well as theBradford assay (which were in agreement within 7%standard error) and densitometry of SDS⁄ PAGEbands, CD spectra were measured in the 190–270-nmfar-UV range (Fig 5A) Although spectra of bothRNA–UDE and UDE showed a-helical characteristics,

a clear difference was also detected between the twospectra, reflected by: (a) different signal intensities; and(b) different shapes, e.g a slight red shift in theposition of the 208-nm peak (Fig S1) Quantitativeevaluation of the CD data is shown in the bar graph

A

B

Fig 3 Effect of RNA binding on the thermostability of UDE.

(A) Thermal denaturation followed by tryptophan fluorescence.

Normalized and corrected curves are shown for RNA–UDE (full

black circles), UDE (full grey squares), UDE + RNA mixture (open

triangles) and RNase-treated RNA–UDE after repurification by size

exclusion chromatography (open squares) (B) Thermal denaturation

followed by CD spectroscopy Curves are shown for RNA–UDE (full

black circles), UDE (full grey squares), in situ treatment of RNA–

UDE with RNase A (open circles), and RNase-treated RNA–UDE

after repurification by size exclusion chromatography (open

squares) The lines show the results of sigmoidal fitting Insert: CD

spectra of RNA–UDE (black) and UDE (grey) in the native (20 C,

full symbols) and denatured (70 C, open symbols) states; lines

show fitted spectra calculated by CDSSTR software [9].

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of Fig 5A, where the secondary structural elements

termed Helix1, Helix2, Strand1 and Strand2

corre-spond to the two subcategories of helices and sheets

(regular and distorted fractions) as defined in [9]

RNA–UDE showed approximately 20% higher

a-heli-cal content than UDE As accurate measurement of

protein concentration, especially when the protein is incomplex with nucleic acids, is not trivial, the suggestedconformational changes between RNA–UDE andUDE are much strengthened in the case of significantlydifferent concentration-independent intensive parame-ters Such differences are shown in Fig S1 (shape ofthe far-UV CD spectra) and in Fig 3 (Tmand cooper-ativity of thermal unfolding)

To test the model represented in Fig 4, the tive samples were produced and characterized by CD

respec-A UDE+RNrespec-A mixture failed to restore the CD signalassociated with RNA–UDE (Fig 5A, top left) RNAalone did not result in significant CD spectra, asshown in Fig S1 In situ RNase treatment of RNA–UDE resulted in an intermediate spectrum (Fig 5A,top right), whereas after gel filtration, this sample pro-vided practically the same spectrum as observed forUDE (Fig 5A, bottom left) The same findings wereobtained by quantitative evaluation (Fig 5A, bargraph, bottom right) These results are in agreementwith the thermal unfolding studies (Fig 3) and rein-force the model of the two conformational states

The presence of hydrophobic surface cavities issignificantly increased in RNA–UDE as comparedwith UDE

To determine whether the above described differences

in the conformational states of UDE are also reflected

on the protein surface, we evaluated the interactions ofUDE and RNA–UDE with the environmentally sensi-tive protein dyes 8-anilinonaphthalene-1-sulfonate(ANS) and Sypro Orange ANS is known to bind to

NH3+ moieties of the proteins, and exhibits elevatedfluorescence if this binding occurs in a hydrophobicmicroenvironment [10] Sypro Orange is known as aprotein gel stain (it does not bind to either nucleicacids or lipids [11]), but it can be used as an alternative

to ANS in the analysis of hydrophobic protein surfaces

Table 1 Melting temperatures and values of cooperativity characteristics for thermal transitions of different conformational states of UDE protein The value for cooperativity come from the dT parameter of the sigmoidal fit of the melting curve, which negatively correlates with the cooperativity of the thermal transition Error values were derived from the average of several independent measurements from different UDE protein preparations ND, non determined.

UDE + isolated RNA

In situ RNase-treated RNA–UDE

RNase-treated RNA–UDE, purified Melting temperature (C)

Fig 4 Scheme of possible transitions between the two

conforma-tional states The conformaconforma-tional state of RNA–UDE (black moon-like

shape, top left) is not destroyed immediately upon RNase treatment

(bottom left) After removal of RNA fragments (grey curves, bottom

left), the protein conformation changes into one characteristic for

UDE (grey circular segment, bottom right) UDE can bind to RNA

(grey curve, top right), but cannot be transformed into the specific

RNA UDE complex present in the RNA-UDE state.

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[12] Addition of either ANS or Sypro Orange to

RNA–UDE led to a drastic increase in the fluorescence

emission of the dyes, whereas a much smaller

incre-ment was induced upon mixing of the dyes with UDE(Fig 5B) A clear difference was also observed in thepositions of emission maxima characteristic for

A

B

Fig 5 Conformational differences between RNA-UDE and UDE (A) Secondary structure elements characteristic for RNA-UDE and UDE lated from far-UV CD spectra Top left: spectra for RNA-UDE (full black circles), UDE (full grey squares), and UDE + RNA mixture (open trian- gles) Top right: spectra for RNA-UDE (as above), UDE (as above), and RNase-treated RNA-UDE (open black circles) Bottom left: spectra for RNA-UDE (as above), UDE (as above), and RNase-treated and repurified RNA-UDE (open grey circles) Lines on the spectra indicate fitted curves calculated by CDSSTR software at the DICHROWEB server The ratio of secondary structure elements, indicated on the bar graph (bottom right), was calculated from several independent spectra in each case The terms Helix1, Helix2, Strand1 and Strand2 correspond to the two subcategories of helices and sheets (regular and distorted fractions) as defined in [9,71] On the bar graph, RNA-UDE (black), UDE (grey), UDE + RNA mixture (hatched grey), RNase-treated RNA-UDE (hatched black) and RNase-treated and repurified RNA-UDE (light grey) are shown (B) Altered hydrophobic surface patches in RNA-UDE and UDE Left panel: spectra of 1.5 l M RNA-UDE (black curves) and 1.5 l M UDE (grey curves) mixed with 200 l M ANS Spectral maxima were at 471 ± 2 and 482 ± 1 nm for RNA-UDE and UDE, respectively Right panel: ANS titration RNA-UDE (full black circles), UDE (full grey squares), RNase-treated (open circles), and UDE + RNA mixture (open triangles) Maximal fluorescent signal intensities of the individual spectra are shown for each titration point Lines show hyperbolic fitting of the data.

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calcu-RNA–UDE and UDE complexed with both dyes [for

ANS, 471 and 482 nm, respectively (Fig 5B); and

for Sypro Orange, 567 and 583 nm, respectively

(Fig S2A)] These results indicated that the number of

hydrophobic surface cavities may be much increased in

RNA–UDE as compared with UDE We can exclude

the possibility that putative dimerization of UDE may

hide the hydrophobic surface exposed in the RNA–

UDE state, as full-length UDE was shown to be in a

monomeric state in solution [8]

For a detailed analysis, titration experiments were

performed with both dyes (Figs 5B and S1B) The

maximum emission values were plotted against dye

concentration, and the results were fitted with

hyper-bola (Figs 5B and S1B; Table 2)

The apparent dissociation constant for ANS and

RNA–UDE was three-fold smaller than that for UDE,

and the emission maximum was red-shifted from 468

to 478 nm, whereas, in the case of UDE, the emission

maximum was not shifted, also indicating altered ANS

binding fashion of the two conformational states of

UDE protein Upon treatment of RNA–UDE with

RNase, only a slight decrease was detected in the

fluo-rescent signals (Fig 5B), indicating that the

conforma-tional state characteristic for RNA–UDE was not

completely disrupted When isolated RNA, in an

amount equivalent to that in RNA–UDE, was added

to UDE, we observed a significant increase in

fluores-cence; however, the extent of the signal was about half

that seen with the RNA–UDE sample, and the

appar-ent dissociation constant was more than two-fold

higher (Fig 5B and Table 2)

Although titration with Sypro Orange resulted in

better-quality signals, evaluation of these curves can

only provide relative data, because the dye

concentra-tion data is not given Sypro Orange complexed with

RNA–UDE showed a similar apparent dissociation

constant, but a much higher fluorescent signal sity, more than 20-fold higher than that with the SyproOrange–UDE complex (Fig S2B; Table 2) The emis-sion maximum was red-shifted from 567 to 587 nm,whereas, in the case of UDE, the emission maximumwas not shifted These results also support the alteredsurface hydrophobicity in the two conformationalstates

inten-Upon treatment of RNA–UDE with RNase, verysimilar large fluorescent signals were detected, indicat-ing that the conformational state characteristic forRNA–UDE was not disrupted in the RNase-treatedmixture (Fig S2B) This observation is in agreementwith the results of ANS titration measurements(Fig 5B), the melting experiments (Fig 3), and CDspectra (Fig 5A)

When isolated RNA was added to UDE, weobserved a significant increase in fluorescence; how-ever, the extent of the signal was much smaller thanthat with the RNA–UDE sample, and the apparentdissociation constant was seven-fold higher (Table 2;Fig S2B) This finding also suggests that the confor-mational state of RNA–UDE, which showed a highfluorescence intensity in this assay, could not be recon-structed by simple addition of the isolated RNA com-ponent to UDE, potentially indicating that theconformation of RNA–UDE may originate in de novoprotein folding during translation

In summary, the results obtained in complexationexperiments with ANS and Sypro Orange are in excel-lent agreement with the hypothesis of the two confor-mational states presented in Fig 4, and are also in linewith the findings of the thermal unfolding and CDstudies

RNA binding causes similar protection againstlimited proteolysis as DNA binding

Previously, we performed limited proteolysis of UDEand its complex with DNA, using AspN endoprotein-ase and high-specificity chymotrypsin, and revealed thecontribution of N-terminal motifs 1A and 1B to DNAbinding as well as the relative compactness of theC-terminal segment containing motifs 2, 3, and 4 [8].Here, we aimed at characterization of proteolytic frag-ments independently in the RNA–UDE and UDEfractions, using AspN and ArgC endoproteinases(Fig 6) In UDE, several preferred proteolytic cleavagesites were identified by MS (summarized in Fig 6C),whereas in RNA–UDE, protection against both pro-teinases was evident on motifs 1A and 1B The rela-tive compactness of the C-terminal part containingmotifs 2, 3 and 4 was confirmed in both RNA–UDE

Table 2 Hydrophobic surface titration of different conformational

states of UDE protein, using ANS and Sypro Orange dyes

Parame-ters were obtained by hyperbolic fitting of the data Fmaxvalues

indi-cate the maximal fold increase in fluorescence intensity Kappvalues

are apparent dissociation constants for dye–protein complexes.

Protein

Parameters

Fmax(· 1000) Kapp Fmax(· 1000) Kapp

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and UDE, as preferred cleavage sites could not be

identified in this region To characterize the

relation-ship between the RNA-binding and DNA-binding

sites, DNA was added to both RNA–UDE and UDE

The proteolysis patterns were rather similar in both

RNA-containing and DNA-containing complexes, with

one remarkable difference in AspN digestion Here,

RNA binding produced significant protection at the

Asp333 site within the nonconserved C-terminus,

whereas DNA binding did not induce any protection

(Fig 6B) These results suggest partially, but not fully,

overlapping sites for RNA and DNA binding in UDE

protein Furthermore, addition of DNA in three-fold

molar excess to RNA–UDE results in exactly the same

patterns as those characteristic for the UDE–DNA

complex (Fig 6A,B), suggesting that DNA is able to

replace RNA in RNA–UDE, in agreement with the

overlap of the respective binding sites These findings

can be interpreted within the previously introduced

hypothesis that RNA–UDE and UDE represent twodistinct conformational states, although they do notoffer independent support in this respect

Characterization of the nucleic acid-bindingability of UDE

In order to provide a quantitative description of UDEDNA-binding and RNA-binding properties, weapplied EMSA In the first set of experiments, weassessed the interaction of UDE and RNA–UDE withDNA oligonucleotides (Fig 7) When a double-stranded 30mer oligonucleotide (see Experimental pro-cedures) was titrated with UDE, we detected twoshifted bands (termed complex 1 and complex 2,respectively) on 6% native TBE⁄ PAGE (Fig 7A).Densitometry of the bands corresponding to the freeand complexed oligonucleotides resulted in a sigmoidaldecrease for the amount of free oligonucleotide, and a

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endo-sigmoidal increase for complex 2, whereas complex 1

was only transiently present, in a manner characteristic

for intermediate states (Fig 7B) Data were fitted with

the Hill equation (Fig 7C; see Experimental

proce-dures), providing an apparent Kd value of

50 ± 13 lm, and n = 4.9 ± 0.2 The value of the

apparent Hill coefficient may indicate either complexes

with higher stoichiometry or strong cooperativity [13](see Experimental procedures) Figure 7A shows onlytwo bands corresponding to complex forms; however,the upper band, located in the well without significantmigration, may contain additional complex forms pro-posed by the apparent Hill coefficient To furtheraddress the stoichiometry issue, a similar EMSA was

Fig 7 DNA-binding ability of UDE and RNA–UDE characterized by EMSA (A) UDE causes a significant shift in the electrophoretic mobility

of a 30mer oligonucleotide One-micromolar 30mer double-stranded oligonucleotide with a single uracil at the mid-position was titrated with increasing amounts of UDE, up to 5 l M , in native 6% TBE ⁄ PAGE Arrows on the left show the positions of free oligonucleotide and two dis- tinct complex forms (B) Densitometry of the bands corresponding to the three detected species Band densities (free oligonucleotide, full black squares; complex 1, grey circles; complex 2, open squares) were normalized and plotted against UDE concentration (C) Evaluation of binding The total relative amount of bound oligonucleotide (black squares) was calculated from the Eqn (1) – [free], where [free] is the rela- tive amount of free oligonucleotide, and plotted against UDE concentration The line shows the curve fitted by the Hill equation (D) EMSA

on agarose gel revealed the presence of several complex forms with higher stoichiometry Two-micromolar 30mer (left panel) and 60mer (right panel) oligonucleotides with a single uracil at the mid-position were compared on 1.5% agarose gel, with UDE concentrations up to

32 l M Symbols (rhomboids) at both sides indicate positions of complexes; five and seven distinct positions were observed for 30mer and 60mer oligonucleotides, respectively (E) DNA-binding ability of UDE versus RNA–UDE One-micromolar Cy3-labelled single-stranded uracil- containing oligonucleotide was titrated with UDE (top panel) and RNA–UDE (bottom panel) with protein concentrations up to 5.5 l M Note that, in the case of RNA–UDE, saturation was not observed.

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