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acute regulatory lipid-transfer START domains of StAR STARD1 and MLN64 STARD3 Julian Reitz1, Katja Gehrig-Burger1, Jerome F.. Among the START proteins are the StAR protein itself STARD1

Trang 1

acute regulatory lipid-transfer (START) domains of StAR (STARD1) and MLN64 (STARD3)

Julian Reitz1, Katja Gehrig-Burger1, Jerome F Strauss III2and Gerald Gimpl1

1 Institute of Biochemistry, Gutenberg-University Mainz, Germany

2 Department of Obstetrics & Gynecology, Virginia Commonwealth University, Richmond, VA, USA

Cholesterol is an essential multifunctional lipid in most

eukaryotic cells It exerts a strong influence on the

physical state of the plasma membrane, forms

choles-terol–sphingolipid-rich microdomains such as caveolae

and lipid rafts, is necessary for the activity of several

membrane proteins, and serves as the precursor for

steroid hormones [1–5] Despite many efforts, the

path-ways and mechanisms of cellular cholesterol trafficking

are currently not well understood Misfunctions of

cholesterol transport are linked to a variety of diseases

[6,7]

The biosynthesis of steroid hormones requires the

transfer of cholesterol from multiple sources to the

inner mitochondrial membrane, where steroidogenesis

begins with the conversion of cholesterol to

pregneno-lone The translocation of cholesterol to the inner

mitochondrial membrane, the rate-limiting step in steroidogenesis, is mediated by steroidogenic acute regulatory protein (StAR, STARD1) [8–12] The mechanism by which STARD1 moves cholesterol to the inner mitochondrial membrane is currently unclear [13] Mutations that inactivate STARD1 in humans lead to an impaired ability of the adrenal gland to pro-duce steroid hormones, a potentially lethal disease known as congenital lipoid adrenal hyperplasia [14] Ablation of the StarD1 gene in mice also causes impaired steroidogenesis and adrenal lipid accumula-tion [15] STARD1 is synthesized as a 37 kDa phos-phoprotein with an N-terminal mitochondrial targeting sequence that is cleaved during mitochondrial entry (Fig 1A) Deletion of 62 N-terminal residues (N-62 STARD1), including the leader peptide, resulted in a

Keywords

cholesterol; MLN64; STARD1; STARD3;

START proteins

Correspondence

G Gimpl, Institute of Biochemistry,

Gutenberg-University Mainz, Becherweg 30,

55128 Mainz, Germany

Fax: +49 6131 3925348

Tel: +49 6131 3923829

E-mail: gimpl@uni-mainz.de

(Received 14 January 2008, revised 5

Febru-ary 2008, accepted 14 FebruFebru-ary 2008)

doi:10.1111/j.1742-4658.2008.06337.x

The steroidogenic acute regulatory (StAR)-related lipid transfer (START) domains are found in a wide range of proteins involved in intracellular trafficking of cholesterol and other lipids Among the START proteins are the StAR protein itself (STARD1) and the closely related MLN64 protein (STARD3), which both function in cholesterol movement We compared the cholesterol-binding properties of these two START domain proteins Cholesterol stabilized STARD3-START against trypsin-catalyzed degrada-tion, whereas cholesterol had no protective effect on STARD1-START [3H]Azocholestanol predominantly labeled a 6.2 kDa fragment of STARD1-START comprising amino acids 83–140, which contains residues proposed to interact with cholesterol in a hydrophobic cavity Photoaffinity labeling studies suggest that cholesterol preferentially interacts with one side wall of this cavity In contrast, [3H]azocholestanol was distributed more or less equally among the polypeptides of STARD3-START Overall, our results provide evidence for differential cholesterol binding of the two most closely related START domain proteins STARD1 and STARD3

Abbreviations

MLN64 (= STARD3), metastatic lymph node 64; MbCD, methyl-b-cyclodextrin; NBD-cholesterol, 22-[N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino]-23,24-bisnor-5-cholen-3-ol; SELDI, surface-enhanced laser desorption/ionization; StAR (= STARD1), steroidogenic acute regulatory protein; START, steroidogenic acute regulatory protein lipid-transfer domain.

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cytosolic protein with full activity, as shown in intact

cells and in isolated mitochondria [16–18] The

func-tionally active C-terminal domain of STARD1

con-tains the StAR-related lipid-transfer (START) domain

START domains consist of 200–210 amino acids and are found in a wide range of proteins involved in several cellular functions, including lipid transport, signal transduction, and transcriptional regulation [19] Among the START proteins are the StAR protein itself (STARD1) and the closely related metastatic lymph node 64 (MLN64) protein (STARD3) Both proteins function as cholesterol-binding proteins [20,21] Their START domains share 37% sequence identity

STARD3 is overexpressed in certain breast cancers [22] The protein contains four transmembrane helices that target it to the membrane of late endosomes [23] (Fig 1A) However, the physiological function of STARD3 is currently unclear It may be involved in steroidogenesis in the human placenta, which lacks STARD1 [24,25] The START domain at the C-termi-nal half of STARD3 is believed to be exposed to the cytosol In its isolated form, STARD3-START is able

to promote steroidogenesis even more efficiently than intact STARD3 [26] The crystal structure of the unli-ganded START domain of human STARD3 has been resolved [20] This structure shows a hydrophobic tun-nel that expands throughout the length of the START domain and is perfectly sized to accommodate a single cholesterol molecule [20] A similar structure has been reported for the cholesterol-regulated START pro-tein 4 (STARD4) [27] For another START propro-tein, the phosphatidylcholine transfer protein (STARD2), it has been directly shown that the tunnel represents the binding site of the lipid, in this case phosphatidylcho-line [28]

To understand the molecular mechanism how cho-lesterol is transferred by STARD1 and STARD3, the cholesterol-binding sites of these proteins have to be identified As a crystal structure of a cholesterol– START complex is not yet available, other methods are required to explore the cholesterol–protein interac-tion One approach is molecular modeling based on the knowledge of the unliganded STARD3 structure Two such modeling studies have been recently per-formed for the START domains of STARD1 and STARD3 [29,30] This led to the proposal that STARD1-START shuttles cholesterol carried in its hydrophobic cavity between the outer and inner mito-chondrial membranes [20] However, spectral and bio-chemical data supported the view that STARD1 partially unfolds and forms molten globules in the low-pH environment of the outer mitochondrial membrane These intermediates were hypothesized to facilitate the cholesterol transfer of STARD1 to the mitochondrial inner membrane through a mechanism that does not involve sterol shuttling [31,32]

A

START

START

97

66

45

31

21

14

– – –

– –

C

m/z

m/z

0

5

10

15

20

0 10 20 30 40

50

29162.8+H 26167.8+H

Fig 1 Expression of the START domains of STARD1 and STARD3.

(A) Domain organization of the START proteins STARD1 (285 amino

acids) and STARD3 (445 amino acids) Both proteins possess a

ste-rol-binding START domain ( 200 amino acids) in their C-terminal

regions The N-terminal targeting sequence of STARD1 is cleaved

upon entry into the mitochondria, and is nonessential for the activity

of STARD1 [16–18] The N-terminal part of STARD3 possesses four

transmembrane segments that target the protein to late endosomes.

The START domain in STARD3 is exposed to the cytosol and is

func-tionally active in its isolated form [26] (B) Purification of the START

domains of STARD1 and STARD3 expressed in Escherichia coli The

proteins were purified from E coli, resolved by SDS ⁄ PAGE, and

identified by Coomassie blue staining Lane 1: marker Lane 2:

STARD1-START (2 lg of protein) Lane 3: STARD3-START (6 lg of

protein) (C) SELDI-TOF of STARD1-START and STARD3-START.

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Here, we analyzed the cholesterol-binding

character-istics of the two most related START proteins,

STARD1 and STARD3 Photoaffinity labeling with

radiolabeled 6-azocholestanol as the photoreactive

cho-lesterol probe was employed to characterize and

com-pare the cholesterol binding of the START domains

This cholesterol analog (previously often termed

photocholesterol) has already been successfully applied

for various proteins [23,33–36] Overall, this study

addresses the question of whether or not the related

START domains of StARD1 and StARD3 interact

with cholesterol in a similar manner

Results

Expression of the START domains

The recombinant START proteins each contain a His6

-tag at their C-terminus The proteins were expressed in

BL21 Escherichia coli and purified by affinity

chroma-tography using an Ni2+–nitrilotriacetic acid agarose

matrix Figure 1B shows the Coomassie stains of the

purified proteins The apparent molecular masses of the

His-tag START proteins in the SDS⁄ PAGE system were

slightly greater than the calculated molecular masses of

25 769 Da (pI 6.42) and 26 847 Da (pI 8.43) for

STARD1-START and STARD3-START, respectively

(Fig 1B) This discrepancy has also been observed by

Arakane et al [17] in the case of STARD1-START To

explore this issue, we also determined the molecular

masses of both START proteins by surface-enhanced

laser desorption/ionization (SELDI)-TOF MS

Molecu-lar masses of 26 167 and 29 162 Da were found for

STARD1-START and STARD3-START, respectively

(Fig 1C) Whereas the molecular mass of

STARD1-START is relatively close (+398 Da) to the calculated

value of 25.7 kDa, the mass of STARD3-START is

about 2.3 kDa higher than that calculated for the

unmodified polypeptide This could reflect

post-transla-tional protein modification The expression levels of

STARD1-START and STARD3-START were similar

Cholesterol binding of the START proteins

In order to verify the cholesterol binding of the

START proteins, we used the fluorescent cholesterol

reporter

22-[N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino]-23,24-bisnor-5-cholen-3-ol (NBD-cholesterol) This

cho-lesterol analog has successfully been employed to

analyze the cholesterol binding of STARD1-START

[21,31] A strong increase in the fluorescence intensity

of NBD-cholesterol occurs when the ligand binds to

the hydrophobic environment of the START proteins

This has recently been studied in detail by Petrescu et al [21] in the case of STARD1-START The binding of NBD-cholesterol to each of the START proteins shows

a saturating profile (supplementary Fig S1A,B) The curves were fitted using a nonlinear regression algorithm according to one-site models, and yielded KD values of 161 ± 45 nm (n = 3) for STARD1-START and 58 ± 16 nm (n = 3) for STARD3-START Thus, STARD3-START bound NBD-cholesterol with a slightly higher affinity than did STARD1-START Two-site models did not result in significantly better fittings of the binding data

According to one model of START domain action,

a pH-dependent molten globule transition of STARD1

is required for sterol transfer activity at the level of the mitochondrial outer membrane [31,32] Therefore, we also measured the fluorescence of NBD-cholesterol (500 nm) bound to STARD1-START (10 nm) at an acidic pH At pH 3, the sterol binding of STARD1-START was about three-fold lower than the sterol binding measured at pH 7.4 (data not shown)

Analysis of the stabilizing effect of cholesterol

on START proteins Cholesterol and its analogs are able to stabilize pro-teins against proteolysis or thermal degradation [37]

To test whether this occurs in the case of the START proteins, we analyzed the migration behavior of these proteins in SDS gels under various conditions

First, the START proteins were incubated (for

20 min at 25C) in the presence of cholesterol, photo-cholesterol, or buffer control The proteins were irradi-ated with UV light for 10 min prior to separation by SDS⁄ PAGE, western blotting, and immunodetection with antibody to His (supplementary Fig S2A) It is important to note that the His-tag is localized at the C-terminus of both proteins, so that only molecular species with an intact C-terminus are visible on the immunoblots The immunoblot revealed no significant differences among treated and untreated START pro-teins Faint staining was observed for the putative dimer forms of the proteins in addition to the predom-inant monomer ( 30 kDa) bands We did not find a slight increase in the molecular size of the START pro-teins in the photoactivated samples of the photocholes-terol-containing samples Most probably, the labeled species is below the detection limit, due to the low photoaffinity yield (< 9%)

We next analyzed the resistance of the START pro-teins to degradation in the presence and absence of cholesterol The proteins were pretreated either with buffer solution or cholesterol–methyl-b-cyclodextrin

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(MbCD) (0.1 mm) for 20 min at 25C Then, the

sam-ples were incubated for increasing times (6 h, 24 h,

80 h) at 40C prior to separation by SDS ⁄ PAGE,

western blotting, and immunodetection with antibody

to His (supplementary Fig S2B) For

STARD1-START, we did not observe any evidence of

degrada-tion during the time course of this experiment In

contrast, in the case of STARD3-START, an

addi-tional band with a slightly decreased apparent

molecu-lar mass (by 3–4 kDa) appeared after an incubation

period of 24 h or longer The presence of cholesterol

did not influence the appearance of this additional

band (supplementary Fig S2B)

When the samples were treated with trypsin (10 min

or 40 min at 37C), additional bands were observed

on the immunoblots for both START proteins

(Fig 2) Two additional molecular species with slightly

higher electrophoretic mobilities appeared for STARD1-START The presence of cholesterol did not inhibit the appearance of these additional bands, nor did it affect the protein patterns of the immunoblots STARD3-START was more sensitive to trypsinolysis (Fig 2) When trypsin was incubated for 40 min, most

of the STARD3-START was either totally degraded

or, more probably, had its C-terminus bearing the His-tag cleaved Incubations with trypsin for more than

60 min resulted in immunoblots with no detectable START proteins (not shown) However, cholesterol was clearly able to inhibit the trypsinolysis of STARD3-START (Fig 2)

Cholesterol labeling of STARD1-START

To determine the cholesterol docking site within the START domains of STARD1 and STARD3, we per-formed photoaffinity labeling with [3

H]photocholester-ol and subsequent chemical or enzymatic cleavage of the photoactivated samples Highly reproducible frag-mentation patterns were obtained when the protein was subjected to chemical cleavage by cyanogen bromide (CNBr), which hydrolyzes peptide bonds C-terminal to Met residues The predicted cleavage products are listed in Table 1 for STARD1-START

In the case of STARD1-START, the [3 H]photocholes-terol radiolabel was incorporated nearly quantitatively into a single band at about 6.2 kDa (Fig 3) Even when we increased the protein amounts from 20 lg (Fig 3, filled symbols) to 60 lg (Fig 3, open symbols), the label was predominantly incorporated in a

 6.2 kDa fragment A control labeling of STARD1-START with [3H]photocholesterol but without UV irradiation did not reveal any bands (Fig 3, dia-monds) Similarly, when cholesterol was added to the samples at a ‡ 50-fold molar excess over [3 H]photo-cholesterol, the appearance of the  6.2 kDa fragment

+ + + + – + + + +

Try

+ – + – – + – + –

Cho

40´

10´

40´

10´

STARD3-START STARD1-START

31–

Fig 2 Stability of the START domains of human STARD1 and

STARD3 in the presence or absence of cholesterol The START

pro-teins (1 lgÆlL)1) were preincubated with buffer solution or

choles-terol-MbCD (Cho) (0.1 m M ) for 20 min at 25 C Then, the samples

were incubated in the presence of trypsin (Try) for 10 min or

40 min at 37 C The proteins were precipitated with acetone,

dis-solved in water, separated by SDS ⁄ PAGE, and subjected to

wes-tern blotting, using antibody to His and Amersham ECL Plus for

detection.

Table 1 Cleavage and fragmentation of STARD1-START by CNBr The molecular mass data are calculated average masses [M + H] + according to the program PEPTIDE MASS (Expasy).

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was suppressed (not shown) A predicted fragment of

this size (6236 Da) corresponds to STARD1-START

residues 83–140, as listed in Table 1 Owing to partial

cleavage, CNBr fragments with sizes similar to the

6236 Da species are possible, such as the combined

fragments with molecular masses of 5185 Da

(= 2300 + 2885 Da), 5179 Da (= 2885 + 2294 Da),

and 6598 Da (= 2885 + 2294 + 1419 Da) To

deter-mine whether partially cleaved fragments are present

within this molecular range, we performed MS (see

inset in Fig 3) The sample for SELDI-TOF MS was

prepared as described for STARD1-START, except

that unlabeled photocholesterol was used instead of

[3H]photocholesterol In the mass spectrum, two major

peaks are observed within the molecular range 4000–

7000 m⁄ z, a 5194 Da species and a 6263 Da species

The 5194 Da species could represent either the

com-bined 5185 Da fragment or the (possibly oxidized)

par-tially uncleaved 5179 Da fragment The 6263 Da peak

should represent the 6236 Da fragment, perhaps

modi-fied by formylation (+26 Da) Covalent coupling of one molecule of photocholesterol should add a mass of about 386 Da to the 6236 Da fragment, resulting in a

 6.6 kDa species A small shoulder area to the right

to the 6263 Da peak (Fig 3, inset) might include such

a species However, a partial uncleaved 6598 Da frag-ment (see above) would overlap with this species and does not allow us to reach a definite conclusion on this point STARD1-START protein labeled with photo-cholesterol and cleaved by CNBr did not reveal sub-stantial differences in the mass spectra in comparison with samples untreated with photocholesterol prior to cleavage with CNBr, probably because of the low photoaffinity yield (< 9%), which results in the labeled species being below the detection limit

Affinity labeling with [3H]photocholesterol and subsequent CNBR cleavage were carried out for STARD1-START at neutral and acidic pH Typical fragmentation profiles are demonstrated in Fig 4A (at neutral pH) and Fig 4B (at acidic pH) Quantitation

of the results is shown in Table 2 Cholesterol labeling

of the 6.2 kDa fragment was lower at pH 3.0 than at

pH 7.4 Moreover, in gel slices at and close to the gel front, a markedly higher incorporation of radioactivity was found at acidic pH than at neutral pH These gel slices contain oligopeptide fragments with molecular masses < 2 kDa, including unbound [3 H]photocholes-terol According to the fragmentation pattern (Table 1), these could represent peptides with molecular masses of

1705, 751, and 302 Da Obviously, at pH 3, the choles-terol labeling of STARD1-START is less specific than the labeling at pH 7.4

Cholesterol labeling of STARD3-START

In case of STARD3-START, photoaffinity labeling with [3H]photocholesterol and subsequent CNBr cleav-age revealed several peaks, which were numbered from

1 to 5 (Fig 5, circles) The predicted cleavage products for STARD3-START are listed in Table 3 Peak 1 cor-responds to molecular mass > 26.6 kDa, and should represent uncleaved STARD3-START Peaks 2 and 3 can be assigned to the predicted fragments of

13 262 Da (residues 93–212) and 10 556 Da (resi-dues 1–92), respectively (Table 3) Peak 4 corresponds

to the fragment of size 2972 Da (residues 213–236) Peak 5 represents unbound [3H]photocholesterol (Fig 5, dotted line) SELDI-TOF of CNBr-cleaved STARD3-START revealed major peaks oat 3187,

11 575, 14 332, and 25 918 Da, and a minor peak at

29 152 Da (not shown) The 25 918 Da species ( 11 575 + 14 332 Da) should be partially cleaved polypeptide Thus, each of the masses of the three

Gel slice number

0 10 20 30 40 50 60 70 80 90 100

0

5000

10 000

15 000

20 000

25 000

30 000

35 000

26.6 17.0 14.4 6.5 3.5 1.4

m/z

0

2

4

6

8

6263.1+H

5194.9+H

Fig 3 Cholesterol labeling and chemical cleavage of

STARD1-START STARD1-START (20 lg of protein, filled circles and

dia-monds, and 60 lg of protein, open circles) was incubated with

[ 3 H]photocholesterol (50 l M ) for 20 min at 25 C Then, the

sam-ples were either UV-irradiated (circles) or not UV-irradiated (control,

diamonds) for 10 min at 4 C The protein was precipitated with

acetone, dissolved in water, and subjected to chemical cleavage

by CNBr for 24 h at 37 C The proteins were separated by

SDS ⁄ PAGE The gel was cut into 1 mm slices and incubated

over-night at room temperature with a scintillation cocktail The

radioac-tivity of each slice was counted The molecular mass (in kDa) was

estimated from a control lane loaded with molecular size markers,

and is given at the top of each panel The reference line (dotted)

corresponds to unbound [ 3 H]photocholesterol The inset shows a

SELDI-TOF mass spectrum of STARD1-START cleaved by CNBr in

(and calibrated for) the mass range 4000–7000 m ⁄ z The sample

for MS was prepared as described, except that unlabeled

photo-cholesterol was used instead of [ 3 H]photocholesterol.

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fragments is higher (215–1070 Da) than calculated for

the corresponding unmodified polypeptide This

sug-gests that unknown post-translational protein

modifi-cations are more or less equally distributed along the

length of the protein In control experiments in the

presence of an excess of unlabeled cholesterol, low

amounts of radioactivity were detected in the gel slices

over the whole length of the gel (except at peak 5,

cor-responding to unbound photocholesterol) (Fig 5,

dia-monds) Similar low amounts of radioactivity were

observed when the START protein was denaturated

by heat (5 min at 95C) (not shown)

Discussion

We have explored the cholesterol binding of the

START domains of the two most related START

pro-teins, STARD1 and STARD3 Both proteins bound

the fluorescent cholesterol reporter NBD-cholesterol

with high affinity With respect to the sterol binding of

STARD1-START, our results were within the range previously reported [21] Cholesterol is able to stabilize proteins, e.g by protecting them from thermal dena-turation or proteolytic degradation, as shown for the oxytocin receptor [37], the Torpedo californica acetyl-choline receptor [38], and rhodopsin [39] When STARD3-START was incubated for many hours (24–

80 h) at 40C, an additional band (truncated by

 3 kD in apparent molecular mass) appeared in immunoblots This additional molecular species could represent either a denaturated form of the protein with higher electrophoretic mobility or an N-terminal trun-cated fragment of STARD3-START resulting from cleavage by a protease still present in our preparation

In each case, the presence of cholesterol was not able

to suppress the appearance of this additional molecular species However, cholesterol had a protective effect against the trypsinolysis of STARD3-START, whereas the cleavage of STARD1-START was not affected Both START proteins possess several cleavage sites

Table 2 Efficiency of labeling of the 6.2 kDa fragment with [ 3 H]photocholesterol in STARD1-START Labeling was performed with [3H]photocholesterol (50 l M ) and STARD1-START (5 l M ) The samples were UV-irradiated for 10 min at 4 C at the indicated pH in a volume

of 100 lL The protein was precipitated with acetone, dissolved in water, and subjected to chemical cleavage by CNBr for 24 h at 37 C The proteins were separated by SDS⁄ PAGE The gel was cut into 1 mm slices The slices were incubated with scintillation cocktail, and the radioactivity of each slice was counted To calculate the labeling efficiency, the radioactivity in the peak area ( 15 slices) corresponding to a molecular mass of 6.2 kDa was integrated Control samples were treated under the same conditions except for the UV crosslinking step These control values (integrated radioactivity of  15 slices corresponding to a molecular mass of 6.2 kDa) were subtracted from the sample data Labeling efficiency is the amount of [3H]photocholesterol incorporated into the 6.2 kDa fragment of STARD1-START (0.5 nmol), with 100% being equal to 0.5 nmol of the photolabel The data are means ± SD (n = 3) To obtain the relative labeling efficiencies, the data were normalized to 100%.

Gel slice number

Radioactivity (dpm) Radioactivity (dpm)

0

15 000

A

Gel slice number

0 10 20 30 40 50 60 70 80 90 100 0 10 20 30 40 50 60 70 80 90 100

0

15 000

B

*

*

Fig 4 Cholesterol labeling and CNBr cleavage of STARD1-START at different pH values The START proteins (each 20 lg of protein) were incubated with [ 3 H]photocholesterol (50 l M ) for 20 min at 25 C at pH 7.4 (A) or pH 3.0 (B) Then, the samples were UV-irradiated for

10 min at 4 C The protein was cleaved by CNBr and further processed as described in the legend for Fig 3 The asterisks mark the position of the 6.2 kDa band The reference lines (dotted) correspond to the gel front line containing unbound [ 3 H]photocholesterol and fragments of less than  1 kDa.

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(Arg and Lys residues) for trypsin within their

N-ter-minal sequence, which could lead to the observed

frag-mentation pattern One simple explanation of the data

is that the N-terminal region of STARD3-START

directly interacts with cholesterol, thus impeding the

access of trypsin Alternatively, cholesterol could

stabi-lize a conformation of the protein that is more

resis-tant to trypsinolysis

What is known about the cholesterol-binding site of

the START domains of STARD1 and STARD3? The

crystal structure of human STARD3-START revealed

an a⁄ b-fold consisting of a nine-stranded twisted

b-sheet and four a-helices [20] The START domains

of STARD3 [20], STARD4 [27], phosphatidylcholine

transfer protein [28,40], and related bacterial proteins

share this basic structure [41,42] A STARD1-START model based on the structure of STARD3-START is shown in Fig 6A,B in two views The view in Fig 6B

is related to that in Fig 6A by a  90 rotation about the y-axis The b-strands in the order b1–b2–b3–b9–b8–

b7–b6–b5–b4 form a U-shaped unclosed b-barrel with a predominant hydrophobic cavity that is optimally sized

to bind a single cholesterol molecule (Fig 6A) The roof of the cavity is mainly formed by the C-terminal

a4-helix The access of cholesterol to this cavity may

be enabled by conformational changes of the a4-helix and the adjacent loops In the case of STARD1-START, we have identified a 6.2 kDa fragment comprising amino acids 83–140 as a major cholesterol-binding site (Fig 7, residues 83–140, highlighted in gray) The corresponding structures, colored yellow in Fig 6A,B, are the b-strands b7–b6–b5–b4 including the W3-loop (connecting b5 and b6) and part of the

a3-helix This suggests that cholesterol bound in the cavity is preferentially in contact with one side wall of this cavity The geometry of the cavity in STARD1-START is well suited for a ligand with the size and shape of cholesterol [29,30] Critical residues proposed

to interact with cholesterol are localized within the fragment containing amino acids 83–140 These resi-dues are in magenta in Fig 6B For example, the acidic side chain of Glu107 in STARD1-START (Glu169 in STARD1) (corresponding to Asp117 in STARD3-START) was proposed to be involved in specific cholesterol binding, most likely with the 3b-hydroxyl group of cholesterol [20] Cholesterol might also interact with the conserved and buried Arg residue at position 126 in STARD1-START (Arg136

in STARD3-START) [20] The charged residues Glu107 and Arg126 in human STARD1-START, which are equivalent to Glu168 and Arg187 in the hamster STARD1 model, were found to form a salt bridge at the bottom of the hydrophobic pocket of the START domain [29,30] In STARD3-START, these residues may interact with the 3b-hydroxyl group of cholesterol via hydrogen bonding to an included water molecule [30], as was concluded from molecular

Gel slice number

0 10 20 30 40 50 60 70

0

1000

2000

3000

4000

5000

6000

7000

26.6 17.0 14.4 6.5 3.5 1.4

1

2 3

4 5

Fig 5 Cholesterol labeling and chemical cleavage of

STARD3-START The protein (20 lg) was incubated with [ 3

H]photocholes-terol (50 l M ) for 20 min at 25 C As a control, STARD3-START

(20 lg) was incubated with [3H]photocholesterol (50 l M ) in the

presence of a 50-fold molar excess of cholesterol (diamonds).

Then, the samples were UV-irradiated, cleaved by CNBr, and

further processed as described in the legend for Fig 3 The

molecular mass (in kDa) was estimated from a control lane

loaded with molecular size markers, and is given at the top of

panel The reference line (dotted) corresponds to unbound

[ 3 H]photocholesterol.

Table 3 Cleavage and fragmentation of STARD3-START by CNBr The molecular mass data are calculated average masses [M + H]+ according to the program PEPTIDE MASS (Expasy).

Molecular mass

TVYTIEVPFHGKTFILKTFLPCPAELVYQEVILQPERM

LSSGIATSHSAKPPTHKYVRGENGPGGFIVLKSASNPRVCTFVWILNTDLKGRLPRYLIHQSLAATM

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modeling and structure-based thermodynamics [29,30].

Water molecules were in fact discovered inside the

STARD3 crystal [20] The replacement of the two

charged residues Glu107 and Arg126 in

STARD1-START by hydrophobic residues of similar volume

resulted in the total loss of STARD1 activity [30]

According to molecular modeling, another residue

located within the 6.2 kDa fragment could be involved

in cholesterol interaction: Leu137 (Leu199) in STARD1-START (STARD1), and the corresponding Ser147 (Ser362) in STARD3-START (STARD3) [29,30] In STARD1-START, cholesterol might contact Leu137 indirectly, mediated by at least one water mol-ecule, whereas in STARD3-START cholesterol was suggested to form a direct hydrogen bond with Ser147 [29,30] Nevertheless, the major contributions to the

C

N

β4

α1

α4 Ω3

Ω2

Ω1

β5 β6 β7

β1 β2 β3 α2 α3

β8 β9

N

C

E L R

Fig 6 Model of STARD1-START The model was build after sequence alignment of STARD1-START with STARD3-START, for which a crys-tal structure is known [20] For a better depiction of the elongated hydrophobic pocket, the same ribbon diagram is displayed from two different views [(A) and (B)] using the program CHIMERA [51] The view in (B) is related to that in (A) by a 90 rotation about the y-axis The photocholesterol docking region is shown in yellow, and comprises half of the a3-helix and the strands b3–b7, including their connecting loops The residues Glu107 (E), Arg126 (R) and Leu137 (L) (all marked in magenta) are located within this region and have been proposed to interact with cholesterol (see Discussion) Otherwise, the model is colored according to the secondary structure, with helices in red, b-strands in green, and loops in gray.

Fig 7 Alignment of the START domains of human STARD1 and STARD3 Sequence identities are marked by a star, and residues contribut-ing to the tunnel in STARD3 are marked in bold STARD1 missense mutations causcontribut-ing congenital adrenal hyperplasia are underlined The numbering of residues within the whole sequences of STARD3 and STARD1, respectively, is in parentheses STARD1-START and STARD3-START share 37% sequence identity and  60% amino acid similarity Residues 83–140, corresponding to the photocholesterol-interacting fragment in STARD1-START, are marked in bold and highlighted in gray.

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energy of cholesterol binding are most likely provided

by nonpolar contacts with side chains lining the

hydro-phobic cavity of STARD1-START [29]

In contrast to STARD1-START, STARD3-START

did not show preferential incorporation of

photocho-lesterol into a single polypeptide If one assumes the

same cholesterol-binding site as in STARD1-START,

one should expect that photocholesterol is primarily

incorporated into the CNBr fragment 93–212

How-ever, this was clearly not the case Instead, cholesterol

labeling of STARD3-START was distributed more or

less equally among the three fragments This could

indicate that the cholesterol molecule localized within

the binding pocket of STARD1-START possesses a

lower degree of freedom than the cholesterol molecule

inside the tunnel of STARD3-START Although both

START domains show high structural similarity, a

recent modeling approach provided evidence for slight

differences in the orientation of the cholesterol ring

within their cavities that may result in distinct contact

sites for photocholesterol [29]

How is the nearly solvent-inaccessible cavity opened

or closed in response to cholesterol loading and

release? Access into the cavity is mainly occluded by

the C-terminal a4-helix and the adjacent loops

(Fig 6A) Conformational changes of the amphipathic

a4-helix allow opening of the cavity This scenario is

supported by spectroscopic measurements

demonstrat-ing a loss of helical structure in STARD1 after binddemonstrat-ing

of the cholesterol reporter NBD-cholesterol [21] The

a4-helix is believed to contact the phospholipid bilayer

of the outer mitochondrial membrane [43] According

to one hypothesis, STARD1 thereby undergoes an

acid-inducible structural change to a molten globule

state [44] Biophysical data provided evidence for a

stronger association of STARD1 with the

mitochon-drial outer membrane (e.g with the protonated

phos-pholipid head groups) at an acidic pH ( 3.5) [45]

We show here that under acidic pH conditions, the

efficiency in photocholesterol labeling of

STARD1-START was significantly but not dramatically

decreased Thus, a putative molten globule state of

STARD1-START might be slightly more capable

of releasing its bound cholesterol However, the

STARD1-mediated translocation of cholesterol into

the mitochondria is not well understood Probably,

STARD1 acts in concert with other proteins, such as

STARD4 and the peripheral benzodiazepine receptor,

to transfer cholesterol from the outer to the inner

membrane of the mitochondrion [43,46]

Taken together, our observations provide evidence

for differential cholesterol interactions with the two

most closely related START proteins The importance

of the cholesterol-binding site in STARD1-START is underlined by the fact that several disease-related mutations or truncations in human STARD1 appear

to correspond to residues lining the interior of the hydrophobic cavity, or in the C-terminal a-helix, when mapped onto the STARD3-START structure [14,18,47]

However, it is important to mention that any con-clusions drawn from studies employing cholesterol analogs such as NBD-cholesterol or photocholesterol have to be judged with caution [35] For example, photocholesterol is structurally different from choles-terol, having, associated with the B-ring, an additional ring structure consisting of two nitrogen atoms, and could be involved in significantly different interactions (e.g hydrogen bonding) with certain amino acid side chains Thus, it cannot be excluded that the difference

in photocholesterol binding does not truly reflect a dif-ference in binding of native cholesterol An ultimate understanding of the interaction of cholesterol with START proteins requires the structure(s) of choles-terol-occupied START proteins

Experimental procedures Expression of the START domains

The recombinant START proteins were produced in BL21

E coli expressing human STARD3-START (amino acids 216–445) [26], or N-62-STARD1 (STARD1-START),

as previously described [17] Each of the expressed proteins contained a His6-tag at the C-terminus The bacteria were cultivated in LB medium containing 25 lgÆmL)1kanamycin for STARD1-START or 25 lgÆmL)1 ampicillin for STARD3-START For expression of the proteins, 400 mL

of medium (with antibiotic) was inoculated with 1 mL of overnight culture The medium was shaken at 37C until an attenuance of 0.5–1.0 at 600 nm was achieved Expression was induced by the addition of 0.5 m isopropyl-b-d-thio-galactopyranoside After 4.5 h, the bacteria were pelleted The pellet was resuspended on ice in 10 mL of the fol-lowing buffer: 300 mm NaCl, 50 mm NaH2PO4, 20 mm Tris⁄ HCl (pH 7.4), and 10 mm b-mercaptoethanol The bacteria were sonicated on ice (3· 15 pulses of 1 s, output level 7), using a Branson Sonifier 250 (Branson, Danbury,

CT, USA) The suspension was centrifuged at 4C for

30 min at 20 000 g (J2-21-centrifuge; Beckman, Munich, Germany) The supernatant was incubated with 500 lL of

Ni2+–nitrilotriacetic acid–agarose matrix (Qiagen, Hilden, Germany) The mixture was rotated at 4C overnight The matrix was placed in a column and washed with 20 mL

of the following buffer: 300 mm NaCl, 50 mm NaH2PO4

(pH 8.0), and 20 mm imidazole STARD1-START was eluted with 2 mL of the following buffer: 300 mm NaCl,

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50 mm NaH2PO4 (pH 8.0), and 250 mm imidazole To

avoid aggregation of STARD3-START, the STARD3

elu-tion buffer contained 40% (w⁄ v) glycerol The eluted

pro-teins were dialyzed (molecular mass cutoff 12 kDa; Sigma,

Schnelldorf, Germany) against the following buffer: 50 mm

KCl, 50 mm Hepes (pH 7.4), and 1 mm dithiothreitol For

dialysis of STARD3-START, the following buffer was

used: 150 mm NaCl, 50 mm KCl, 50 mm Tris (pH 7.4),

10 mm dithiothreitol, and 40% (w⁄ v) glycerol

Immunoblotting

Proteins were separated by SDS⁄ PAGE and were

trans-fered onto a nitrocellulose membrane using a tank blot

sys-tem Immunodetection was performed with appropriate

antibodies: mouse anti-His serum (1 : 2000) and mouse

anti-peroxidase Ig (1 : 1000) The proteins were detected

with Amersham ECL Plus (GE Healthcare Life Sciences,

Munich, Germany) The results were displayed and

docu-mented using a VersaDoc 3000 imaging system (Bio-Rad,

Munich, Germany)

Photoaffinity labeling

Photoaffinity labeling of the START proteins was performed

using the photoreactive cholesterol analog [3

H]6,6-azocho-lestanol (termed [3H]photocholesterol) [3H]Photocholesterol

was synthesized according to an established protocol

[48] Twenty micrograms of protein in a final volume of

200 lL were incubated with [3H]photocholesterol (50 lm,

30–185 GBqÆmmol)1) for 20 min at room temperature The

sterol was complexed with MbCD (0.6 mgÆmL)1) For UV

irradiation, either a 200 W Hg-lamp (k 330 nm; Leitz,

Wetzlar, Germany) or a Transilluminator 4000 (Stratagene,

Heidelberg, Germany) was used The distance between the

lamp of the Transilluminator and the samples was about

5 cm During the irradiation, the samples were incubated on

ice in 1.5 mL reaction tubes The samples were irradiated for

10 min When the 200 W Hg-lamp was used, the samples

were irradiated in a cooled quartz cuvette with a magnetic

stir-bar The crosslinking efficiency obtained with the

Trans-illuminator was found to be similar to that obtained with the

200 W Hg-lamp The proteins were precipitated with 1 mL

of cold acetone ()20 C) The sample was stored at )20 C

for at least 1 h The proteins were pelleted by centrifugation

at 20 000 g for 10 min at 4C The supernatant was

removed The pellet was dried with gaseous N2 The protein

pellets were subjected to SDS⁄ PAGE or to chemical or

enzymatic cleavage

Cleavage of proteins

For chemical cleavage, CNBr (Fluka, Germany) was used

The pellet (20 lg of protein) was resuspended in 30 lL of

H2O Seventy microliters of formic acid containing 100 lg

of CNBr were added The sample was incubated for 24 h

at 37C in the dark The solvent was evaporated with gaseous N2 For enzymatic cleavage, the protease LysC (Roche, Germany) was used The pellet (20 lg of protein) was resuspended in 20 lL of the following buffer: 100 mm

NH4HCO3 (pH 8.5) One microgram of LysC in 1 lL of the same buffer was added, and the sample was incubated

at 37C for 24 h in the dark in a gaseous N2atmosphere

SDS⁄ PAGE

To determine the molecular masses of the proteins, the Laemmli protocol was employed For the separation of small protein fragments, the method described by Schaegger and von Jagow [49] was used

Scintillation counting

The fragments of the labeled and cleaved proteins were sep-arated by tube gels (100 mm in length, 4 mm in diameter)

or slab gels (50 mm in length, 1.5 mm in thickness) The gels were cut into 1 mm slices Each slice was incubated overnight at room temperature in a scintillation vial (Canb-erra Packard, Dreieich, Germany) with 4 mL of the follow-ing scintillation cocktail: 90% (v⁄ v) Lipoluma; 9% (v ⁄ v) Lumasolve; and 1% (v⁄ v) H2O (Lumac-LSC; Perkin-Elmer, Groningen, the Netherlands) For scintillation counting, a Tri-Carb 2100 TR-counter (Packard, Dreieich) was used

Fluorescence spectroscopy

The fluorescent cholesterol reporter NBD-cholesterol was used to verify the cholesterol binding of STARD1-START and STARD3-START The measurements were performed with a Photon Technologies International (Birmingham, NJ, USA) spectrofluorometer (Quantamaster) The proteins were diluted with 25 mm potassium phosphate buffer (pH 7.4) including 0.0002% Tween-20 to a final concentration of

10 nm The sample was transferred in a quartz cuvette that was placed in a cuvette holder equipped with a magnetic stir-bar The sterol was added from ethanolic stock solutions The samples were incubated for 10 min at 37C before the fluorescence was recorded at constant temperature (37C) NBD-cholesterol was excited at 473 nm Fluorescence emis-sion was monitored at 530 nm Excitation and emisemis-sion bandpasses were set to 4 nm To reduce light scatter, a cutoff filter (495 nm) was placed in the emission path The binding data were calculated using sigmaplot (version 8.0)

MS

A SELDI-TOF mass spectrometer (Ciphergen Biosystems, Go¨ttingen, Germany) was used to measure the molecular

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