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Isolation and biochemical characterization of two soluble ironIIIJirˇı´ Mazoch1, Radek Tesarˇı´k2, Vojteˇch Sedla´cˇek1, Igor Kucˇera1and Jaroslav Tura´nek2 1 Department of Biochemistry,

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Isolation and biochemical characterization of two soluble iron(III)

Jirˇı´ Mazoch1, Radek Tesarˇı´k2, Vojteˇch Sedla´cˇek1, Igor Kucˇera1and Jaroslav Tura´nek2

1

Department of Biochemistry, Faculty of Science, Masaryk University, Brno, Czech Republic;2Department of Immunology, Veterinary Research Institute, Brno, Czech Republic

Two soluble enzymes (FerA and FerB) catalyzing the

reduction of a number of iron(III) complexes by NADH,

were purified to near homogeneity from the aerobically

grown iron-limited culture of Paracoccus denitrificans using

a combination of anion-exchange chromatography

(Seph-arose Q), chromatofocusing (Mono P), and gel permeation

chromatography (Superose 12) FerA is a monomer with

a molecular mass of 19 kDa, whereas FerB exhibited a

molecular mass of about 55 kDa and consists of probably

two identical subunits FerA can be classified as an

NADH:flavin oxidoreductase with a sequential reaction

mechanism It requires the addition of FMNor riboflavin

for activity on Fe(III) substrates In these reactions, the

apparent substrate specificity of FerA seems to stem

exclu-sively from different chemical reactivities of Fe(III)

com-pounds with the free reduced flavin produced by the enzyme

Observations on reducibility of Fe(III) chelated by vicinal

dihydroxy ligands support the view that FerA takes part in releasing iron from the catechol type siderophores synthes-ized by P denitrificans Contrary to FerA, the purified FerB contains a noncovalently bound redox-active FAD coen-zyme, can utilize NADPH in place of NADH, does not reduce free FMNat an appreciable rate, and gives a ping-pong type kinetic pattern with NADH and Fe(III)-nitrilo-triacetate as substrates FerB is able to reduce chromate, in agreement with the fact that its N-terminus bears a homo-logy to the previously described chromate reductase from Pseudomonas putida Besides this, it also readily reduces quinones like ubiquinone-0 (Q0) or unsubstituted p-benzo-quinone

Keywords: iron(III) reductase; NADH:flavin oxidoreduc-tase; Paracoccus denitrificans

Ferric iron [Fe(III)] reductases, which catalyze the reduction

of various complexed forms of Fe(III), are of ubiquitous

occurrence in nature [1] Conversion of Fe(III) to more

soluble Fe(II) generally increases the bioavailability of iron

and occurs either outside the cell [in conjunction with an

upward Fe(II) transport] or intracellularly (e.g iron release

from the accumulated ferrisiderophores) [2] In bacteria,

environmental Fe(III) can serve as a hydrogen sink,

allowing the regeneration of NAD+ [3], or even as a

terminal electron acceptor in an anaerobic respiration

associated with translocation of H+and generation of a

transmembrane potential difference [4,5]

Fe(III) reductases constitute a heterogeneous group of

enzymes in respect to their biochemical properties The

majority of the known bacterial Fe(III) reductases resides

in the cytoplasm, consists of one small polypeptide chain lacking any distinguishable prosthetic group, reduces Fe(III) at the expense of NADH or NADPH and requires flavin as an electron transfer mediator [6–13] On the contrary, Fe(III) reductases of Fe(III) respirers are c-type cytochromes excreted into the medium or exposed at the cell surface where they can make direct contact with the solid metal oxides [14,15] A representative of eukaryotic type enzymes is the FRE1 Fe(III) reductase of Saccharomyces cerevisiae, a transmembrane flavocytochrome b with prop-erties similar to those of the NADPH oxidase of human neutrophils [16] In some instances the observed reduction

of Fe(III) possibly represents a side activity of an enzyme that may catalyze a different reaction in vivo, as exemplified

by the enzymes flavin reductases [12], sulfite reductase [17]

or dihydropteridine reductase [18]

The facultative anaerobe Paracoccus denitrificans posses-ses a flexible respiratory chain able to incorporate consid-erable amounts of iron-containing proteins in response to the changed growth conditions [19,20] This ability depends

in part upon a capacity of the microbe to mobilize iron from external and internal sources Evidence for a high-affinity iron-scavenging system involving low molecular weight, Fe(III)-specific siderophores was first presented by Tait [21] who isolated three iron-binding catechol compounds from the culture supernatant of P denitrificans and provided initial data on their structure, metal-binding properties and enzymes needed for their biosynthesis Since then, several

Correspondence to I Kucˇera, Department of Biochemistry,

Faculty of Science, Masaryk University, Kotla´rˇska´ 2,

CZ-61137 Brno, Czech Republic.

Fax: + 420 541129623, Tel.: + 420 541129351,

E-mail: ikucera@chemi.muni.cz

Abbreviations: Bis/Tris,

bis(2-hydroxyethyl)amino-tris(hydroxy-methyl)methane; DHB, 2,3-dihydroxybenzoate; FNR, fumarate and

nitrate reductase regulator (Escherichia coli); FnrP, FNR homologue

from P denitrificans; NfsB, oxygen-insensitive nitroreductase of

E coli; PVDF, poly(vinylidene difluoride); pyrocat, pyrocatechol;

QR, quinone reductase.

(Received 30 September 2003, revised 27 November 2003,

accepted 5 December 2003)

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thorough investigations into the mechanism,

stereospecific-ity and kinetics of siderophore-mediated iron transport in

P denitrificanshave been carried out [22–24], but

informa-tion on the enzymology of Fe(III) reducinforma-tion still remains

scarce and incomplete Tait [21] described formation of

Fe(II) from the Fe(III)–siderophore complex upon

incuba-tion with NADH, succinate and an ultracentrifuged and

dialyzed cell-free extract while Dailey and Lascelles [25]

noticed reduction of Fe(III) citrate by NADH or succinate

as electron donors in the presence of crude cell extracts

containing membranes More recently, Kucera and

Match-ova [26] succeeded in discriminating between the reduction

of Fe(III) sulfate by NADH catalyzed by cytosolic and

membrane fractions The former reaction differed markedly

from the latter by about 10-times lower apparent Kmvalue

for NADH, by a discernible stimulatory effect of FMN, and

by the inability of succinate to substitute for NADH

The present report describes the results of studies leading

to the conclusion that at least two distinct soluble enzymes of

P denitrificansexhibit an activity of Fe(III) reductase These

enzymes were purified and their molecular and catalytic

properties were analyzed The data obtained indicate that

one of them can be assigned to the NADH-dependent flavin

reductases while the other carries a bound flavin prosthetic

group and bears a resemblance to a previously described

enzyme capable of reducing chromate [27]

Materials and methods

Organism and cultivation

Paracoccus denitrificans, strain CCM 982 was obtained in

freeze-dried form from the Czech Collection of

Micro-organisms (CCM), Masaryk University, Brno, Czech

Republic It was maintained on agar plates and stored at

4C Growth was achieved via batch cultivation using

minimal succinate medium, containing (in mM) sodium

succinate, 50; KH2PO4, 33; Na2HPO4, 17; N H4Cl, 50;

MgSO4, 1.1 and Fe(III) citrate, 0.5 lM The final pH was

adjusted to 7.3 by dropwise addition of 0.1 M NaOH

Separate 750 mL aliquots were autoclaved in 3-L

Erlenmeyer flasks, inoculated with 20 mL of a pregrown

culture and incubated for 10–12 h at 30C on a reciprocal

shaker at 180 r.p.m Cells were sedimented by

centrifuga-tion (6200 g, 20 min at 4C), washed twice with 50 mM

Tris/HCl buffer, pH 7.4, and then taken up in this buffer

Preparation of the enzymes

For a typical purification 10 g wet cells harvested from

3-L culture were used Chromatography was run on a

Pharmacia FPLC apparatus

Step 1: Preparation of cell-free extract.Cell-free extracts

were made by passing the cell suspension twice through a

33-mL X-Press cell (AB Biox, Sweden), treating with 4 lg of

deoxyribonuclease (Sigma) per mL for 30 min at room

temperature to reduce the viscosity caused by DNA and

removing the cellular debris by centrifugation at 109 000 g

for 40 min in a rotor-type 45 TI (Beckman) The Fe(III)

reductase-containing extracts were stored at)15 C until

commencement of purification

Step 2: Ion exchange chromatography About 40 mL of cell-free extract, prepared as described above, were loaded onto an HP Sepharose Q (Pharmacia) column (XK26:

10 cm· 2.6 cm) pre-equilibrated with 20 mM Tris/HCl,

pH 7.4, and washed by the same buffer The proteins were eluted in two phases with 300 mL of linear gradient of 0–0.6 M NaCl and 50 mL of linear gradient of 0.6–1M NaCl at a flow rate of 0.8 mLÆmin)1 Fractions of 5 mL were collected and those displaying Fe(III) complex reduc-tase activity were pooled (each activity peak separately), concentrated in an ultrafiltration cell (Amicon) through YM-3 membrane (Millipore) and then dialyzed against

20 mMTris/HCl, pH 7.4

Step 3: Chromatofocusing Two buffer systems in this chromatography on MonoP HR 5/20 (Pharmacia) column (20· 0.5 cm) for two distinct enzymes were employed First, starting with 0.075M Tris/acetate, pH 9.3 used Polybuffer 96, second one started with 0.025M Bis-Tris/ iminodiacetic acid, pH 7.1, and Polybuffer 74 (Pharmacia) was applied here, according to instructions of the manu-facturer The flow rate was 0.3 mLÆmin)1 during sample loading and 0.5 mLÆmin)1 during focusing Fractions of 0.5 mL were collected Pooled active fractions were desalted

on PD-10 columns (Supelco) equilibrated by the start buffer for the next step

Step 4 (optional): Chromatofocusing The same condi-tions as in the previous step with Polybuffer 74 were used Peak fractions were collected

Step 5: Gel permeation chromatography Maximum 0.5 mL of sample was loaded onto Superose 12 (Pharmacia) analytical column (30 cm· 1 cm) equilibrated by 50 mM Tris/HCl, pH 7.4 containing 150 mMNaCl The flow rate after sample application was 0.5 mLÆmin)1 For determin-ation of molecular masses, the same column was calibrated

by marker proteins including alcohol dehydrogenase (141 kDa), albumin (67 kDa), ovalbumin (43 kDa), chy-motrypsinogen A (25 kDa) and ribonuclease A (13.7 kDa) Step 6 (optional): Preparative native electrophoresis.In some instances (e.g for N-terminal sequenation), final purification of the enzymes was performed from the activity bands on native gels (see below) The proteins were recovered by electroelution using electroelution tubes and

a Mini Protean Cell (Bio-Rad) with Tris/glycine buffer,

pH 8.3 [no sodium dodecyl sulfate (SDS)] at constant current 8 mA per one electroelution tube for 5.5 h Determination of protein concentration

Protein concentration was determined by the method of Lowry et al [28] using bovine serum albumin as the standard Protein elution profiles from chromatographic columns were also monitored by measuring fractional absorbance at 280 nm

Enzyme assays Fe(III) reductase activity was determined according to

a variant of the method by Dailey and Lascelles [25] The

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assay measures the formation of the Fe(II)(ferrozine)3

complex at 562 nm (absorption coefficient¼ 28 mM )1Æ

cm)1) in 25 mM Tris/HCl buffer, pH 7.4, 30C, with

0.8 mM ferrozine, 0.05 mM FMNand 0.2 mM Fe(III)

complex The reaction was started by the addition of

0.15 mMNADH

Chromate reductase activity was assayed at 30C in

0.5-mL reaction mixtures containing 25 mM Tris/HCl

buffer, pH 7.4, 0.045 mMK2CrO4, 0.15 mMNADH, and

5–30 lL of enzyme preparation Chromate concentration

was quantified by adding samples to the reagent consisting

of 0.1M H2SO4 and 0.01% 1,5-diphenyl carbazide and

measuring the absorbance at 540 nm [27]

Quinone reductase and flavin reductase activities were

monitored by following the disappearance of the NADH

absorbance at 340 nm in 25 mMTris/HCl buffer, pH 7.4,

30C Concentrations of electron acceptors were 100 lM

for quinones when measuring quinone reductase and

50 lMfor FMNin flavin reductase assay Stock solutions

of quinones were prepared as 5 or 10 mMin 20% acetone

(v/v)

Stopped-flow experiments

A JASCO J-810 stopped-flow spectrophotometer with a

dead time of 5.2 ms and a cell path length of 1.5 mm was

used to measure redox reactions of Fe(III) complexes with

chemically reduced FMN A solution of 1.25 mMFMNin

25 mMTris/HCl, pH 7.4, containing PtO2(0.1 mgÆmL)1) as

a catalyst [29] was made anaerobic with argon bubbling and

then a stream of hydrogen gas was introduced to convert

FMNinto FMNH2 Following the sedimentation of the

catalyst, the yellowish supernatant was placed in one

syringe, and the second syringe was filled with a buffered

solution of 1.6 mMferrozine and 0.4 mMFe(III) complexed

with an appropriate ligand After 1 : 1 mixing, changes in

absorbance at 562 nm were recorded Data from at least six

repetitions were averaged and processed with the software

package supplied with the instrument, giving the desired

initial velocity values

Mass spectrometry

The mass spectra of proteins were recorded on a Bruker

Reflex IV mass spectrometer Prior analysis, the samples

were dialyzed against 10 mM Tris/HCl, pH 7.4, and then

concentrated to a final value of about 1–10 lg of protein per

lL using a Speed-Vac concentrator (Savant, Holbrook,

USA) One microliter each of sample was mixed with 2 lL of

matrix solution (ferulic acid, saturated in 50% acetonitrile,

1% trifluoroacetic acid) Aliquots (0.6 lL) were placed on

the target and left to dry The spectra were taken in

positive-ion linear mode External mass calibratpositive-ion was performed

using the molecular ions from the bovine insulin at

5734.5 Da and the horse myoglobin at 16952.6 Da 100

single shot spectra were accumulated in each mass spectrum

Gel electrophoresis

One-dimensional SDS gel electrophoresis was carried out in

10–15% polyacrylamide gels [30], containing 0.1% SDS,

using a Mini Protean II (Bio-Rad) vertical electrophoretic

system Staining was carried out using Coomassie brilliant blue R-250 Standard molecular mass markers were from Fluka Non-denaturing electrophoresis was carried out in the same manner, but with omission of SDS from the gel running and loading buffers, and the sample was not pretreated under denaturing conditions Staining was car-ried out using Coomassie blue R-250 or by zymogram analysis The latter entailed overlay of the gel with 0.15 mM NADH and 0.8 mM ferrozine in 50 mM Tris/HCl buffer,

pH 7.4, containing 0.05 mM FMN Fe(III)nitrilotriacetic acid solution in the same buffer was added to the resulting concentration of 0.2 mM Bands of Fe(III) reductase activity were detected as red zones against a slightly reddish background

Spectroscopic measurements Absorption spectra of the enzymes were taken with an Ultrospec 2000 UV/visible spectrophotometer (Pharmacia) using a 1-cm light path cell Fluorescence spectra were obtained using an LS 50B spectrofluorimeter (Perkin Elmer) Thin-layer chromatography analysis of flavins

About 0.4 mg of the purified flavoprotein, dissolved in 0.1 mL of buffer, was mixed with 0.9 mL of methanol and the mixture was heated at 95C for 15 min After cooling

on ice and centrifugation at 12 000 g for 5 min, the supernatant was dried with a Speed-Vac concentrator Water (10 lL) and methanol (10 lL) were added to the residue, and the solution was analyzed by TLC employing a cellulose gel plate (DC-Alufolien Cellulose, 0.1 mm thick-ness; Merck AG, Darmstadt, Germany) and the upper layer

of an n-butyl alcohol/glacial acetic acid/water (4 : 1 : 5) mixture as the solvent phase Methanol/water (1 : 1) solution of riboflavin, FMNand FAD were spotted as reference and the migration of the compounds were visualized with UV light

N-Terminal sequence analysis The highly purified enzymes were subjected to SDS/PAGE (15% polyacrylamide) and then electroblotted onto a poly(vinylidene difluoride) membrane (Bio-Rad) Selected bands were cut out of the Coomassie Blue-stained blots and analyzed by the Edman method with a 491 protein sequencer (Perkin-Elmer Applied Biosystems) according to the standard program (PL PVDF Protein)

Homology searching and sequence alignments Homology searching against the databases was performed with the Basic Logical Alignment Search Tool (BLAST) on NCBI Server (http://www.ncbi.nih.nlm.gov) Alignments of the sequences were produced using CLUSTAL W Multiple Sequence Alignment software on NPS@Server (http:// npsa-pbil.ibcp.fr)

Kinetic data analysis Input data represented the mean values from at least three replicates Nonlinear regression analysis was performed

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with the kinetic software package EZ-FIT developed by

Perrella [31]

Results

Choice of a Fe(III) substrate for the enzyme assay

Most of Fe(III) reductases have no known native substrates,

but they exhibit a fairly weak specificity and can reduce

many artificial Fe(III) complexes Therefore, we explored

a series of five compounds (Fe(III)EDTA, Fe(III)EGTA,

Fe(III)nitrilotriacetic acid, Fe(maltol)3and FeCl3) as

poten-tial artificial substrates for measuring the activity in cell-free

extracts by the ferrozine assay When no flavin was added

exogenously, we found the following specific activities [nmol

Fe(II)(ferrozine)3Æs)1Æg protein)1, means of three replicates]:

2, 151, 146, 16, 2, whereas with 50 lMFMNthe respective

values were: 5, 210, 392, 323, 83 These results told us that

the Fe(III)nitrilotriacetic acid substrate together with FMN

would best serve the purpose of activity measuring during

enzymes purification Contrary to some [8,13], but in

accordance with other [10] previous research, our assay

for the enzymes from P denitrificans was not significantly

sensitive to oxygen, as air removal from the reaction mixture

with a stream of argon increased the rate of

Fe(II)(ferro-zine)3production by 10% maximum Based on this finding,

all further measurements could be performed under ambient

oxygen pressure

Purification of the Fe(III) reductases

Preliminary experiments established that cultivation of

P denitrificans in a growth medium with limiting initial

levels of Fe(III) citrate (0.5 lMinstead of the normally used

concentration of 30 lM) increased the specific activity of

Fe(III) reductase in the cell-free extract about 1.5-fold

Accordingly, the enzyme was isolated from the

iron-deficient cells that had reached the stationary phase after

aerobic growth A summary of the data of the purification

is given in Table 1 for a typical preparation Aspects

deserving comment are as follows:

(i) Assay of the fractions in the HP-Sepharose Q elution

profile identified two peaks of Fe(III) reductase activity,

eluting at approximately 50–150 mM and 250–400 mM NaCl They were termed FerA and FerB, respectively Peak fractions were pooled separately and purification was continued for each pooled peak of activity

(ii) The presence of two Fe(III) reductases in cell-free exacts could also be directly demonstrated by native gel electrophoresis of the cell-free extracts followed by activity staining, which produced two bands with the intensity ratio

of about 10 : 1 The more intense band corresponded to the enzyme with a higher electrophoretic mobility towards the anode

(iii) Preparative chromatofocusing proved to be an efficient purification step, which could be used twice for FerB, but not for FerA due to less resistance to pH changes Chromatofocusing enabled us to determine isoelectric points of FerA and FerB as 6.9 and 5.5, respectively These values are in accord with the observed chromatographic behavior of the enzymes at the Sepharose Q step

(iv) During optimization of the purification protocol the possibility of employing a hydrophobic interaction chro-matography was also noticed After loading the test sample

on a Phenyl Superose column (Pharmacia) or on a Hema-Bio 1000 Phenyl column (Tessek, Prague) and applying a 1.5–0M ammonium sulfate gradient, FerA was typically eluted at 80–90% of the gradient compared to FerB eluted

at 45–50% FerA thus seems to be considerably more hydrophobic than FerB

Determination of molecular mass SDS/PAGE analysis gave single Coomassie blue staining bands at a position of an approximate Mrof 18 000 for both the purified FerA and FerB (Fig 1) These values were further refined by applying a MALDI-MS analysis, which revealed peaks at m/z 18 814 and 18 917 for FerA and at m/z 20 196 for FerB We are currently unable to identify unequivocally the reason for the presence of two peaks in the spectrum of FerA

As the enzymes could be separated in a column of Superose 12, the same column was used to estimate their molecular sizes By calibration of the column with standard proteins of known molecular masses, the molecular masses

of native FerA and FerB were estimated as 25 kDa and

Table 1 Purification of P denitrificans Fe(III) reductases The activity was determined following absorbance of Fe(II)(ferrozine) 3 complex at

562 nm Specific activity is expressed as enzyme activity per mg of total protein.

Treatment

Volume (mL)

Total protein (mg)

Total activity (nkat)

Specific activity (nkatÆmg)1)

Purification factor (-fold)

Yield (%) FerA

FerB

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55 kDa, respectively From these results, we concluded that

FerA exists in a monomeric form in the native state and that

FerB has an oligomeric structure (a homodimer or, less

probable, a homotrimer)

N-Terminal sequence comparison

The N-terminal amino acid sequences of FerA and FerB

were determined and are presented in Fig 2(A) A BLAST

search revealed sequence similarity of 73% and 65%

(sequence identity of 50% in both cases) of this region in

FerB with chromate reductase from Pseudomonas putida

and flavin reductase form Pseudomonas syringae (Fig 2B),

respectively On the contrary, no significant similarity was

found between the N-terminus of FerA and any known oxidoreductase

Spectral properties Measurement of the UV-visible absorption spectrum of FerA (about 95% pure, 0.04 mgÆmL)1) showed no chro-mophore uniquely attributable to this enzyme On the other hand, the solution of FerB was yellowish in color and exhibited absorption bands at 380 and 448 nm (Fig 3), diagnostic for the presence of a flavin group When 0.4 mM NADH was added, the absorption peak at 448 nm disappeared, indicating a reducibility of the bound flavin

by the physiological electron donor The possession by FerB

of a flavin cofactor was also apparent from the fluorescence

Fig 1 SDS/PAGEfollowed by silver staining Lane 1, 10 lg protein of

the starting cell-free extract; lane 2, 0.3 lg of purified FerA; lane 3,

1 lg of purified FerB; lane 4, molecular mass markers indicated (in

kDa) on the right.

Fig 2 N-Terminal amino acid sequences of P denitrificans FerA and FerB (A) and comparison of the N-terminal amino acid sequence of FerB with the sequences of other oxidoreductases (B) N-Terminal sequences were determined by Edman degradation Multiple alignment of chosen sequences was performed using CLUSTAL W programme Fre, flavin reductases of Pseudomonas syringae pv syringae B728a (gi:23469150) and of P syringae pv tomato DC3000 (gi:28870863); CR, chromate reductase of Pseudomonas putida (gi:14209680); ?, a hypothetical protein (sequence derived from the known DNA sequence) Identical (w), strongly similar (:) and weakly similar (.) residues are indicated.

Fig 3 Absorption spectra of as isolated (—) and NADH reduced (- - -) FerB The spectrum of FerB, 0.2 mg proteinÆmL)1, were measured under aerobic conditions in 25 m M Tris/HCl buffer (pH 7.4), employing the buffer solution as a reference, with a light path of 1 cm The reduced spectrum was obtained 5 min after the addition of 0.4 m M NADH.

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spectrum where the enzyme excited at 446 nm shows a

fluorescence emission with a maximum at 506 nm

Identification of the flavin moiety of FerB

Exposure of FerB to heated methanol released a yellow

soluble compound from the holoenzyme Thin-layer

chro-matography of the methanol extract gave a single

fluores-cent spot with a Rfof 0.075 Under identical conditions,

riboflavin, FMNand FAD exhibited Rfvalues of 0.40, 0.19

and 0.075, respectively Thus, we concluded that FerB

contains a noncovalently bound FAD

Substrate specificity

In order to investigate the catalytic abilities of the isolated

enzymes, a specificity study was undertaken with

Fe(III)ni-trilotriacetic acid and NADH as reference substrates The

rate of reduction of different Fe(III) compounds, under the

conditions specified, is shown in Table 2 FerA has an

absolute requirement for the flavin and cannot effectively use

NADPH as an electron donor in place of NADH A

substi-tution of riboflavin for FMNled to a decrease by 73% in the

reaction rate (not shown in Table 2) Unlike FerA, FerB

does not require exogenous flavin and utilizes both NADH

and NADPH Probably the most striking difference between

FerA and FerB lies in the inability of the latter enzyme to

reduce Fe(III) complexed by vicinal dihydroxy groups, as

present in maltol, pyrocatechol and 2,3-dihydroxybenzoic

acid In line with this, we also observed that FerA, but not

FerB, exhibited a reducing activity towards the complex

of Fe(III) with a crude isolate of parabactin, the natural

catecholic siderophore of P denitrificans (data not shown)

By monitoring the absorbance at 340 nm, we observed

that the addition of FMNto FerA resulted in a significant

rate of NADH oxidation also in the absence of Fe(III),

which suggested the presence of an NADH : FMN

oxido-reductase activity Its value typically amounted to

330 nmol NADHÆs)1Æmg protein)1 For this reason we

tested whether the reduction of Fe(III) could be due to the FMNH2formed by FerA This possibility gained support from the stopped-flow experiments in which we compared the rates of a direct nonenzymatic reduction of Fe(III) complexes by the chemically prepared FMNH2 The relative rate values presented in the last column of Table 2 match more closely those of FerA (r¼ 0.92) rather than those for FerB (r¼ 0.77), demonstrating that FerA indeed may act primarily as a flavin reductase, and, per se, not mediate the subsequent redox reactions of Fe(III)

The identification of a sequence homology between FerB and chromate reductases (Fig 2B) prompted an investigation of whether or not the Paracoccus enzyme can reduce chromate The positive answer is conveyed

by the results in Fig 4, showing a significant speed-up in

Table 2 Substrate specificity of Fe(III) reductases from P denitrificans, compared with the chemical reactivity of FMNH 2 Experimental details are

described in the Material and methods section The Fe(III) complexes were used at a final concentration of 0.2 m M The relative reaction velocity for

NADPH was related to that of NADH as 100% The relative rates for the different Fe(III) complexes were related to that of Fe(III)nitrilotriacetic

acid as 100% The relative rate zero means a relative reaction velocity of > 0.1%.

Substrate

Relative rate of Fe(II)(ferrozine) 3 complex formation

a 100% ¼ 2.04 · 10)7molÆs)1Æmg protein)1; b 100% ¼ 8.43 · 10)9molÆs)1Æmg protein)1; c 100% ¼ 3.73 · 10)5 Æs)1.

Fig 4 Chromate reductase activity of FerB Reaction mixture (0.5 mL) containing 0.045 m M chromate, 0.15 m M NADH and 25 m M

Tris/HCl buffer, pH 7.4, with (d) or without (s) 5 lg of FerB were incubated at 30 C Aliquots were withdrawn at the indicated time intervals and analyzed for the concentration of chromate.

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the reduction of chromate by NADH, caused by the

presence of FerB FerB also functioned as an efficient

quinone reductase For a series of four quinones, the relative

activities were found as follows:

2,3-dimethoxy-5-methyl-1,4-benzoquinone (ubiquinone-0), 100%; p-benzoquinone,

77%; menadione, 6%; duroquinone, 0.01% (100%¼

2.42 lmol NADHÆs)1Æmg protein)1) The enzyme did not

catalyze the oxidation of NADH by FMN at an

appreci-able rate (specific activity less than 1 nmol NADHÆs)1Æ

mg protein)1)

Kinetic studies of reactions catalyzed by FerA and FerB

When studying the Fe(III) reductase reaction of FerA, there

are effectively three compounds to be considered in a kinetic

analysis: NADH, FMN and complexed Fe(III) Initial

velocity studies were carried out by varying the

concentra-tions of NADH in the presence of a series of concentraconcentra-tions

of Fe(III)nitrilotriacetic acid while maintaining FMNat a constant concentration As illustrated in Fig 5(A), recipro-cal plots are patterns of lines intersecting to the left of the vertical axis The FMNreductase reaction of FerA was analyzed with NADH and FMN in the absence of Fe(III) Under these conditions, kinetic patterns similar to those found above were obtained (Fig 5B) This behavior indi-cates a sequential mechanism with NADH and FMN as substrates

The results obtained on studying the Fe(III) reductase reaction of FerB are in Fig 6 It can be seen that the reciprocal plot for NADH as variable substrate at a series of concentrations of Fe(III)nitrilotriacetic acid consists of a series of parallel lines Kinetic patterns of this type occur in cases of ping-pong mechanisms At the highest concentra-tion of NADH the initial velocity of the enzyme turned out

to be slower than that predicted by the hyperbolic law Similar substrate inhibition was also observed in the 1/v vs 1/[Fe(III)nitrilotriacetic acid] plot; this issue was, however, not pursued further at this stage

Table 3 lists values of the kinetic parameters for individ-ual substrates, as estimated by computer fitting of velocity data of Figs 5 and 6 to the appropriate kinetic equations Besides the data for Fe(III)nitrilotriacetic acid in Table 3,

we also determined the kinetic parameters for some other Fe(III) complexes reducible by FerB In the presence of a saturation concentration (0.15 mM) of N ADH, the values

of Kmand kcatare: (0.4 ± 0.2) mMand (0.91 ± 0.02) s)1 for Fe(III)EGTA (1.6 ± 0.8) mMand (0.16 ± 0.03) s)1for Fe(III)EDTA (0.4 ± 0.2) mM and (0.08 ± 0.01) s)1 for Fe(III)citrate, and (0.4 ± 0.2) mMand (0.015 ± 0.003) s)1 for Fe(III) chloride The kinetics of the reduction of Fe(III) ligated with maltol could not be measured reliably due to the difficulty caused by an intensive coloration of the complex The fact that all the obtained values Kmare higher than 0.2 mM confirms that the measurements reported in Table 2 were performed under conditions of first-order

Fig 5 Initial-velocity kinetics of the reactions catalyzed by FerA.

Measurements were performed with 0.2 lg FerA proteinÆmL)1 in

25 m M Tris/HCl buffer, pH 7.4 at 30 C (A) Fe(III) reductase

reac-tion velocity as a funcreac-tion of NADH concentrareac-tion in the presence of

eight (s), 12 (d), 20 (h), 40 (j) and 67 (n) lM Fe(III)nitrilotriacetic

acid at constant concentrations of FMN(50 l M ) and ferrozine

(0.8 m M ) (B) Flavin reductase reaction velocity as a function of FMN

concentration in the presence of 5 (s), 10 (d), 20 (h) and 30 (j) l M

NADH In this case both ferrozine and Fe(III)nitrilotriacetic acid were

absent Data are presented as double-reciprocal plots.

Fig 6 Initial-velocity kinetics of the Fe(III) reductase reaction cata-lyzed by FerB Measurements were performed at 30 C with

3 lg FerB proteinÆmL)1in 25 m M Tris/HCl buffer, pH 7.4, contain-ing 0.8 m M ferrozine Reciprocal initial velocity is plotted against the reciprocals of NADH concentration at a series of fixed concentrations

of Fe(III)nitrilotriacetic acid equal to 40 (s), 66.7 (d), 100 (n) and 200 (m) lM.

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kinetics and hence the relative rates listed here, being

proportional to the kcat/Km ratios, correctly express the

substrate specificity of FerB

Discussion

In this study, we have demonstrated a coexistence of two

types of soluble Fe(III) reductases, FerA and FerB, in the

soil bacterium Paracoccus denitrificans Both enzymes are

flavin-dependent, but in different ways: a flavin serves as a

dissociable cosubstrate for FerA (a flavin reductase-type

enzyme) and as a tightly bound redox-active cofactor of

FerB (a flavoprotein-type enzyme)

Flavin reductases are present in a variety of organisms

[12] Extensive studies have been conducted, for instance,

with enzymes from E coli [7,32] or luminous bacteria

Vibrio harveyi[33–40] and Vibrio fischeri [41–44] Although

these enzymes catalyze similar reactions, they differ in

respect to substrate specificities and reaction mechanisms

Accordingly, they can be classified into D, P and G types

based on whether NADH, NADPH or both NADH and

NADPH are utilized Obviously, FerA falls into theD-type

Another classification criterion distinguishes between flavin

reductases lacking a detectable prosthetic group and those

having a noncovalently bound flavin cofactor Considering

the negative result of the spectroscopic search for a bound

flavin group and the sequential kinetic pattern obtained

(Fig 5), we conclude that the first possibility applies,

namely that FerA accelerates a direct redox reaction

between NADH and a flavin In this respect, it seems to

be similar to theD-type flavin reductase of V harveyi [35]

The observed substrate specificity of FerA (Table 2) adds to

the previous appreciation of the biological role of a free

reduced flavin as a reducing agent for Fe(III) [2,12,13,32]

and broadens it to account for the reduction of the

catechol-type Fe(III) complexes The high effectiveness of the redox

process mediated by free flavin is reflected by a low value of

the apparent Michaelis constant for the Fe(III) complex

with nitrilotriacetic acid (Table 3)

In the case of FerB, the distinctive spectral features

(Fig 3) and the ping-pong kinetic patterns (Fig 6) make it

likely that the enzyme shuttles between the forms containing

oxidized and reduced bound flavin during the catalytic

cycle The fact that FerB appears rather inefficient in reducing some substrates which are otherwise prone to uncatalyzed reactions with free FMNH2(Table 2) suggests that the protein moiety contributes significantly to the observed substrate specificity Although more direct infor-mation on the three-dimensional structure of FerB is obviously required before any firm conclusion can be drawn

as to how this specificity is achieved, we can tentatively imagine two situations In the first, the reduced flavin binds more tightly than the oxidized one, so that the cofactor becomes poorer electron donor and reactions of electron acceptors with low standard redox potentials are hampered Our voltammetric measurements (unpublished results) have revealed that the Fe(III)/Fe(II) pairs complexed with maltol, pyrocatechol and dihydroxybenzoate, which do not accept electrons from FerB, have indeed the lowest standard redox potentials among the iron compounds listed in Table 2 Alternatively, FerB may carry a buried substrate binding cavity whose size allows for interaction with smaller electron acceptors like 1 : 1 Fe(III) complexes, chromate or qui-nones, but not with the rather bulky 1 : 3 Fe(III) complexes

or exogenous free flavins

A survey of the literature indicates that FerB shares some biochemical properties with other enzymes Its relatedness

to the earlier described chromate reductase of Pseudomonas putida [27] is apparent from a match in the N-terminal sequence (Fig 2B) and the ability to reduce chromate at

a comparably high rate (Fig 4) The subunit and native masses of FerB found here agree favorably with the values

of 20 and 50 kDa reported before for Pseudomonas enzyme [27] However, there is a marked difference in isoelectric points While FerB is an acidic protein (pI 5.5 by chromatofocusing), pI of chromate reductase was claimed

to be higher than 7.0 from chromatographic behavior; our own calculation based on the known amino acid sequence (gi:14209680) and exploiting the pI/Mw tool [45] on http:// www.expasy.org gave the value of 8.55 Unfortunately, the Pseudomonasenzyme was not tested for the presence of flavin nor the activity towards electron acceptors other than chromate, and hence a more detailed comparison with FerB cannot be presented at the moment It may also be of interest to mention here the existence of the FAD-contain-ing DT-diaphorase [46] and the FMN-containFAD-contain-ing

flavin-Table 3 Michaelis constants (± SE) for the substrates of FerA and FerB Values were calculated from the data in Figs 5 and 6 The best fitting kinetic models, selected according to the Akaike’s information criterion, correspond to a sequential bi–bi mechanism for FerA and to a ping-pong mechanism for FerB Non-linear regression values of k cat are (14 ± 1) s)1and (28 ± 6) s)1for the Fe(III) reductase and FMNreductase activity of FerA, respectively, and (3.1 ± 0.5) s)1for FerB.

Substrate

(variable concentration)

Second substrate (fixed concentrations)

Third substrate (constant concentration)

K m

(l M ) FerA

NADH Fe(III)nitrilotriacetic acid FMN (50 l M ) 5.5 ± 0.7 Fe(III)nitrilotriacetic acid NADH FMN (50 l M ) 17 ± 2

FerB

a

Fe(II)(ferrozine) 3 production was used to quantify reaction progress except in these cases where NADH oxidation by flavin was measured.

Trang 9

reductase [43,44] and nitroreductase [47] that resemble FerB

in being homodimers of comparable molecular size, utilizing

both NADH and NADPH as electron donors, exhibiting

ping-pong kinetics and having a number of activities

including that of quinone reductase Indications exist that

a quite small number of amino acid residues determine

electron acceptor specificity of these enzymes For example,

a single point mutation was enough to convert NfsB, one of

the oxygen-insensitive nitroreductases of Escherichia coli, to

a highly active flavin reductase [48] Constrains of similar

type as in NfsB may exist in FerB and preclude in this way

its reaction with free flavin We hope that future

compar-ative studies will clarify relationships (if any) between FerB

and the other mentioned proteins on a molecular level A

part of this effort is currently aimed at the cloning of the

gene for FerB for further characterization

Acknowledgements

We thank Dr Z Vobu˚rka (Institute of Organic Chemistry and

Biochemistry, AS CR, Prague) for performing N-terminal amino acid

sequencing, Dr Z Zdra´hal (Laboratory of Mass Spectrometry of

Biomolecules, Faculty of Science, MU, Brno) for MALDI-MS analyses

and Dr Z Prokop (National Centre for Biomolecular Research,

Faculty of Science, MU, Brno) for assisting us with the stopped-flow

measurements This work was supported by a grant from the Grant

Agency of the Czech Republic to I K (203/01/1589) and partly by a

contract from Ministry of Agriculture of the Czech Republic to J.T.

(M-3-99-01).

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