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Acta Cryst. (2015). D71, 1564-1571, doi:10.1107/S1399004715009220 Supporting information Volume 71 (2015) Supporting information for article: From bacterial to human dihydrouridine synthase: auto mated structure determination Fiona Whelan, Huw T. Jenkins, Samuel C. Griffiths, Robert T. Byrne, Eleanor J. Dodson and Alfred A. Antson (a) (b) 90 Supplementary Figure S1: Molecule of the FMN cofactor bound in the active site. FMN is show in sticks and is overlaid with the mFo-DFc difference electron density (omit map) contoured at 3 , generated after omission of the FMN from refinement. (a) and (b) correspond to two orthogonal views. (a) (b) (c) (d) Supplementary Figure S2: Search model comparison. (a) Superposition of phenix.mr_rosetta search models TtDus (green), TmDus (blue) and EcDusC (lemon) with the final refined structure of hDUS2 (grey). (b) Buccaneer models built into density modified maps obtained from phenix.mr_rosetta (colours as in (a)) superposed with Buccaneer model obtained by SAD phasing (grey). (c) Superposition of TtDus, TmDus and EcDusC with the final refined structure of hDUS2 and (d) superposition of isolated catalytic domains (colours as in (a)). For clarity, cofactor FMN has been omitted. &ShSheet Inser/ o n hDus2 hDus2 ScDus2 SpDus2 EcDusC TtDus TmDus hDus2 hDus2 ScDus2 SpDus2 EcDusC TtDus TmDus ... TT 1 M I L N S L S L C Y H N K L I L ATPTMT V R V G T L P M R L L A .. L D Y G A D . I V Y C E E L I D L K M I Q C KMR V .... V. V. N. ET VY LA SG T VKDLF VVALPA DP.M .V. .R.A.G E L P T R L M A . L A H G A D . L V W S P E I I D K K L I A PPM SVK V RQ IT G REP L P M R L L A . L R Y G A N . L V W G P E I V D K A L L 1 M Q CGVLR.......KLENNYTSANL QKTVVCD YLV V A PPM PE.G.V.L. . D SS L V R E L L T E V N D Y D . L C I T E F V R V V D Q L L P V K . . . V F H R I C . . . . . . . 1 M S G.T.P.V.E.R.V.V.N.D.R.I NRCVILD FLV K 1 M P L E........DP RL S V APM V DRT D RHF R F LV .RQVS L GVR LY TEMTVDQAV L A. P. M .A. .G.Y.T. D S A F R T L A . F E W G A D . F A F S E M V S A K G F L 1 M R GEN.R.......E........V. .K.V.G. .L. . 1 MNSQ...KTEELL....... P Q...... 70 D R V V F R T C.E R . E Q N R V V F Q M G T S D A.E R A . L A V A R L V . E N D VTATG I D V N M G C P K Q Y S T K G G M G A A L L S D P DEKT LI VE KF IRLTSYTP KLL E VS KSK LI F Q I GSAS P AL A .TQ A A LK V .INDVSG IDI N A GCP KHFSIHS G M G SA LL V DLT FL RC LV HIPLL . 70 N RK TP K E ALN RV KL I F Q L G S A S P E L A . V E A A K L V . A N D V A G I D L N C G C P K H F S V H A G M G A G L L N DAR SL RV ST .I.LP . 70 L KQ NQ DS A GLT LV NV R V Q L L G Q F P Q W L A E N A A R A V . E L G S W G V D L N C G C P S K T V N G S G G G A T L L 53 R L EAL FI RY Q.G. .AP . KL DP KE A EMH PR EI A L Q L A G S D P K S L . A E A A R I G E A F G Y D E I N L N L G C P S E K A Q E G G Y G A C 49 . L. L .L.D.L.A.R. .VPR.EH EIRLN KVAA MV GQE I F G S E P N E L S . E A A R I L . S E K Y K W I D L N A G C P V R K V V K K G A G G A L L 54 K D L R H F R Y I V R E L R K hDus2 hDus2 147 ScDus2 148 SpDus2 147

EcDusC 129 TtDus 124 TmDus 122 GT....RRP VT C I KA... I ADT N V GNPHSKP IS I AEIYE I CQA E I GKPYKIS IS DRSY L SEIVG V A V ..PAHLP VS DWQA I GD... I A V ....RVP VT V HRLK..GDF S V ....SGKF S EWKA L SV... L .... TT TT ... K I R I L.PSL....EDTLS LV KR I ERT G I AA I A V H G R KREERPQ.......HP. V SCEV V K I R L L.DTK....QDTLQ LV KR L CAT G I TN L T V H C R KTEMRNR.......EQ.PITDY C K I R L L.ETK....EDTLK LV ER I CDT G V RA I T V H C R TTPMRNT.......EP. A CRN V K V R L GWDSG....EKKFE IA DA V QQA G A TE L V V H G R TKEQGYR.......AEH I RQR V K M R L G.LEGKETYRGLAQS V EA M AEA G V KVFV V H A R SALLALSTKANREIPP. L RHDW V K T R L G.WEK....NEVEE I YRI L VEE G V DE V F I H T R TVVQSFT.......GR. A ..E TtDus 174-180 hDus2 207 ScDus2 215 SpDus2 hDus2 hDus2 EcDusC ScDus2 TtDus SpDus2 TmDus EcDusC 214 274 193 286 196 277 180 259 TtDus 264 TmDus 251 ... TT LS I PV IAN G GSHDHIQQYSDI...EDFRQATAAS S VMV A R A A MWN P S I FLKEG.L........RP.LE E VM QKYIRYAVQ NN V SL IVN G A I RD....RSHFHDLQANHWKNTNIGG MI AEC A ERD P T V FDHTSKPSEDG....PS.WV V A CREFIQWATK K D V S I L VNG D V L S . . . . Y N D G . . . L D V I E K Y G V D G VLI A R AA E R N V S C F R I E G . P. .......LS.SF K VA E EDF LNKHMYATL NE T K Y C L C Q M Y N EIQ LP.VE I E LIH AWADQ.S.S.R.EWIQCSEAA.F.G.LQGQACFMYAEIESTGTCQDEAL D VM I QGA RRL G LS NE I QPT GNE L LR S AP N Q GGR L AQ S AAK T P ASERDVTVSKGYV. . . N E . . P R M P . W P E V V A F LDL QN.HKIYGT NR T K Y M L S R I PP Q GLK ST.FV V N QGY FGA I A .V. .Y.E.D. P V . .TF F R CRKSS.P.E.E.VLSE.E.A.......L.F.....H.L.K.R.V.D.G. .V.M.L. G . .R. . . .F. .V.L.E.E.A.D.R R V F G L . P R . R P S R L E V A R RDM RN.NAFYGL NE T K Y C L N Q I V KQ R GIS FP.TRFK VN S D AIQ TFATK.T.Y.E.DPLEKDKAA.F.E.IKERYAKLHESEDSAGSCSDVGC P LL V EAK ERK G GF R VPD LWP I M V RGQ L TL S LAV I S S FFLKEQSILKLDAF L R S G K Y S E P S . R E E I L R TEF EK.QRGHDL TE G L Y H V A R I L KQW......LSYLRKEYDEATE.......................................... . E E VLKG T PP W A V LRHMLNLFRGRPKGRL................................................... . LLIKTKGERKA V VE M RKF......LAGYTKDLKGARR.......................................... .

hDus2 353 IKMAVKFDRRAYPAQITPKMCLLEWCRREKLAQPVYETVQRPLDRLFSSIVTVAEQ.KYQSTLWDKSKKLAEQAAAIVC L ScDus2 SpDus2 EcDusC TtDus TmDus 322 356 290 292 282 ........................................FVLKQLNDDGSAQTDPSEYLENC................ . SNILKQLSRLHFT.KIFAVSEEEDICKQLDDIHEKFLCHGIALSLISADNLASAIASAHLVIC................ . ...................................LFQHV....................................... . ............................WR....RLLSEGRSLQAL..................D.............. . ...................................FREKV....................................... . hDus2 432 RSQGLPEGRLG E ES....PSLHKRKREAPDQDPGGPRAQELA.Q.........PGDLCKKPFVALGSGEESPLEG W 345 418 295 307 287 ........RAQ E KALKNANAIAKQKRKQTDHIGS.....................DTKKQKVV.......PLPT D ........MEK D ESIMNE.AVCDQKITIRLPINSNTN.EAVVECENKSMQSKHALDIIQERIKDL....EEKAQ V ........RVLNNS........................................PDIARAIQA.......IDIE K L RALRLMEEEVG E EG...............EKEKPGPRGQREA..................APG.......PARE G ........MKI E E.........................................VQILKEMFY.......NFIK E hDus2 hDus2 hDus2 ScDus2 SpDus2 EcDusC TtDus TmDus I V V V Supplementary Figure S3: Alignment of hDUS2, ScDus2, SpDus2, EcDusC, TtDus and TmDus sequences obtained by Expresso. FMN hydrogen bonding residues are shown by green spots; hDUS2 FMN hydrophobic interacting residues are shown by black spots; active site cysteine is designated by a black star; C-terminal -helical interacting residues are shown by blue squares. FMN binding interactions which are not conserved in hDUS2 are highlighted in orange boxes. (a) (b) (c) C C Supplementary Figure S4: Structure comparison. (a) Superposition of the catalytic domains of hDUS2 (blue to green, residues 7258) and TtDus (grey, residues 2248), rmsd of 1.6 for 205 aligned residues. The 3-stranded -sheet insertion of hDUS2 is highlighted by a circle. (b) Superposition of the recognition domain of hDUS2 comprising the 5-helix bundle (yellow to red, residues 259339) with the recognition domain of TtDus comprising the 4-helix bundle (grey, residues 249318), rmsd of 2.2 for 45 aligned residues. (c) hDUS2 (coloured) superposed with the structure of TtDus-tRNA complex (protein in grey, tRNA in blue) with U20 shown in van der Waals spheres coloured according to atom type. HsDus2_Q9NX74 HsDus2_Q9NX74 ScDus2_P53720 SpDus2_O74731 HsDus1_Q6P1R4 ScDus1_P53759 SpDus1_Q9HGN6 HsDus4_O95620 ScDus4_Q06063 SpDus4_O74553 1 10 20 30 ..............................MILNSLSLCYHNK L ILA PMV RVGT L PM R . L .L. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . M V T Y A G K L V L A P M V R A G E L P T R . L .M. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . M G L L N Y S N K V C L A P M V R I G E L P M R . L .L. . . . . . . . . . . . . . . . . . . . . . . M P K L Q G F E F W S R T L R G A R H V V A P M V D Q S E L A W R . L .L. . . . . . . . . . M T E P A L S S A N N A L M Q K L T G R Q L F D K I G R . P T R I V A P M V D Q S E L A W R . I .L. . . . . . . . . . . . . . . . . . . . . M A S K K L H G R D F Y N K I G R . P K R I L A P M V D Q S E L P W R . I .L. . . . . M K S D C M Q T T I C Q E R K . . . K D P I E M F H . . . . . S G Q L V K V C A P M V R Y S K L A F M R HTT MLH I P S G D V L I P K P K L I T E E . . . T D P L H I I K T R Q K T H G R P V T I A G P M V R Y S K L P F R . Q .L. . . . . . . . . . . . . . . M R D R L . . . K D P V K I F E . . I N K G K R P V H I A A P M V R Y S K L P F R Q L &ShSheet Inser/ o n HsDus2_Q9NX74 HsDus2_Q9NX74 ScDus2_P53720 SpDus2_O74731 HsDus1_Q6P1R4 ScDus1_P53759 SpDus1_Q9HGN6 HsDus4_O95620 ScDus4_Q06063 SpDus4_O74553 HsDus2_Q9NX74 HsDus2_Q9NX74 ScDus2_P53720

SpDus2_O74731 HsDus1_Q6P1R4 ScDus1_P53759 SpDus1_Q9HGN6 HsDus4_O95620 ScDus4_Q06063 SpDus4_O74553 HsDus2_Q9NX74 HsDus2_Q9NX74 ScDus2_P53720 SpDus2_O74731 HsDus1_Q6P1R4 ScDus1_P53759 SpDus1_Q9HGN6 HsDus4_O95620 ScDus4_Q06063 SpDus4_O74553 50 60 TT 70 80 ALDYG A D I V Y CEE L IDLKM I QCKRVVN...EVL ST VDFVAPD.......DRVVFRTCERE ALAHG A D L V WSP E I IDKKL I QCVRKEN...TAL QT VDYVVPSKVQTRPETLVFRTYPKLE ALRYG A N L V W G P E I VDKAL L SGTPVERVVNDRI N CIDFVKPP......SNKVLFRVHPLE SRRHG A Q L C YTP M L HAQVF V RDANYRK...ENLYCE....................VCP E SRRYG A T L A YTP M L HAKLF A TSKKYRE...DNW SS LD...................GSSV AR RE RY SN G V D IA V Y S D L A R E Y CV R N EYHSAPR I . . .MSFDHLS S RT LFGESEDYRN...KVF ST C P M I L R V. R. D. Y. N. T. D. I. N . . . . . . .I. .. .V. .Y. .T. .P. .. .M. .. . .L. .A. .K. .ET .FI .P NL E EH P . K G R Y . . . F D F S T V R K Y S C D L C Y T P M I V A A D F V K S I K A R D . . . S E F TT N......................DA

N......................QG 90 100 110 TT 120 130 140 QNR VV F Q MGTSDAER A LA VA R LV ENDVAG IDV N M GCP KQYST K GGM G AA L L SDP D K I EK I SSK LI F Q IGSASPAL A TQ AA LK V INDVSG IDI N A GCP KHFSI H SGM G SA L L RTP D T L CL I ANR LI F Q LGSASPEL A VE AA K LV ANDVAG IDL N C GCP KHFSV H AGM G AG L L KNQ D R L VS I DRP LI V Q FCANDPEVFVQ AA L LA QDYCDA IDL N L GCP QMIAK R GHY G AF L QDEW D L L QR M DRP LV V Q FCANDPEY L LA AA K LV EDKCDA VDL N L GCP QGIAK K GHY G SF L M EEW D L I HN L ERP LI I Q FCGNDPEI M LK AA K IA APYCDA VDV N L G QI G IVA K QF E NVW N EP S YIC DDGC PI L D GAIA GRC IA V DC TP L Q K V GGVKNYN VGA S D FL LL K E LM I V A G II VN QC FGACAPN D IA KR EL Q IL RS E C PIY GMP CV P IQ R N KIP GE IL NV CQ DG CMP Q T W A I Q E G I G S A L D S AYLNNIGS LIDDQLIFLNG VCCDSD L WEAKM AAEAGQY LGVAGCPLY VID G LA L DEP E K V HK L HsDus2_Q9NX74 HsDus2_Q9NX74 ScDus2_P53720 SpDus2_O74731 HsDus1_Q6P1R4 ScDus1_P53759 SpDus1_Q9HGN6 HsDus4_O95620 ScDus4_Q06063 SpDus4_O74553 40 HsDus2_Q9NX74 HsDus2_Q9NX74 ScDus2_P53720 SpDus2_O74731 HsDus1_Q6P1R4 ScDus1_P53759 SpDus1_Q9HGN6 HsDus4_O95620 ScDus4_Q06063 SpDus4_O74553 150 160 170 TT 190 180 TT L ST L VKGT....RRP VT C KIR I LPSLED TL SL V KR I ERT G I AA I A V H G L E ELE VRK N R KR P QVH .G.NPP H S K P I S V K I R L L D T K Q D T L Q L V K R L C A T G I T N L T V H C L A ELM VRN E R D KT N RIE .G.KQP Y K I S I S C K I R L L E T K E D T L K L V E R I C D T G V R A I T V H C I L PAM HRE K R L TT N TLE .S..P. . . V P V T C K I R V F P E I D K T V R Y A Q M L E K A G C Q L L T V H G R I T KNETQ LK HGKPNL SLGKA. . . . V P V T A K I R I F D D C E K S L N Y A K M V L D A G A Q F L T V H G I T K L H T R VREQ K E G QLK TSG.L. . . I P V T A K I R I F P D P Q K T L D Y A K M I L K A G A S I L A V H G V Q EVQ RKN Q R K LR G HVF TEGTIP . G F S V S I K I R I H D D L K R T V D L C Q K A E A T G V S W I T V H G R V T AHEAE VR K.DHKQY.G..PD . K L R I E T K I R I H E A L D E T V E L C R K L C D A G V D W I T I H G R V T RRRAT VR KSSSTQ .L.GP. E . S F C T E V K I R I A K D L N K T R H L M Q V I E K S G A D I I T V H G R TRQD R SSF..P

200 ... 210 220 230 240 250 V SC E V I KA I A...DTLS I P V I A NG GSHDHIQQYS DI EDFRQA T AASS VM V P A IRTA D A Y M I W A NE P I S Y IEICQANN V S L I V NG A I RDRS.HFH DL QANHWK N TNI G G M A L RSDE PI TV G I D A RESCYA E VVCRNKD V S I L V NG D V LSYN.DGL DV IE...KYGVD GVL I A A S W E H I K A V RKAVA... I P V F A NG N I QCLQ.... DV ERCLRD T GVQ GVM RAAER N VSC A E NT LI HK Y S N A WE G N PL AR D LNLP.KETVFF A NG N I LYPE.... DI SRCMEHIGADA VM S A A E GDNW LE YQ NIP QGM VL R K N L P . S E T V L F A N G N I L H A Q . . . . D I D R C I K Y T G V D G V L S V H Y D S I K I I K E A EGS L Y NP R I ...NMS I P V I A NG D I RSLK.... EA ENVWRI T GTD GVM A D LA LI AK Y V N A LR G N PI AI E MNISDKN V P V I A NG DCFKLS.... DL ERITKY T GAH GVM A V N L LD LA SI NRPE AV LR P . . . C V Q I P V V A N G D V K S L R . . . . K G L E I A K Y T E T Q G I M S RG A RGL L E NP A L TT 260 270 280 .. F L K E G L R . . . . . . . P L E E V M Q K Y I R Y 2A9 0V Q Y D N . . . . . H Y T N T K Y C L C Q M L REQLESPQ.. F DHTSKPS..EDGPSWVVACRE FI QW A TKFDN.....HIGNT K YM L SR IV PGKSVFFQ.. F RIEG.......PLSSFKV A EE FL KM A LEVDN.....NFGNT K YC L NQ IM QGSFRKNV.. F EGRS........PAVWEL A EE YL DI V REHPC.....PLSYV R AH L FK L WHHTLQVHQEL F NVGQTKNKEKIFPRVDKI I RE Y FQI V KECQE..SKASKTAM K SHFFK IL RPFLPHHTDI F LPPS.SPLMTLYPRIDDMCEE YL NI I REFKLESDYSSLSAI K GH L FK LM R PALGLYSTITHCTPD.I. .F. A . .C.YLWK C IEW AF L YL MCF H QH F .G .Y .E .E WT GP C .I. .E.K. F A L FD G GW.V. .D.IL P QE LL A. QG H .H .L. .YTCP M L NA MMG YEY.ME.ME.TE.PKL.IK.T.........S.RW G C V E R F L W Y S T S Y . S . . . . L N F H L F Y H H L T T M M F E GQMT....TK Supplementary Figure S5: Sequence alignment of Dus subfamilies 1, 2 and 4. Homo sapiens HsDus, S.cerevisiae ScDus and S. pombe SpDus sequences aligned by Clustal Omega. The Dus2 subfamily specific -sheet insertion in the catalytic domain is highlighted in cyan. The alignment is continued on the following page. HsDus2_Q9NX74 . HsDus2_Q9NX74

. ScDus2_P53720 SpDus2_O74731 HsDus1_Q6P1R4 ScDus1_P53759 SpDus1_Q9HGN6 HsDus4_O95620 ScDus4_Q06063 SpDus4_O74553 HsDus2_Q9NX74 HsDus2_Q9NX74 ScDus2_P53720 SpDus2_O74731 HsDus1_Q6P1R4 ScDus1_P53759 SpDus1_Q9HGN6 HsDus4_O95620 ScDus4_Q06063 SpDus4_O74553 340 ....... 3I 20 .G R L . . L H A 3A 1Q 0 S SRE CE.......AFG L 330 G3A0F0Y E E T T Q E L D A Q Q A R L S A K T S E Q T G E P A E ...Y..FARCK S PEE V .........SFV L KQLNDDGSAQ.................... . .R Q L ..AQTAK T YED L KK.......AFE I EYKHSDASSVCPT....LE........... K REE L AKVKTLEGIAA V SQ.......ELK L K L .L. .K.K.M.M.N.L.K. N RS C. . .Y.I.S. .L. Q E E I S R Q E G A K RST L ATMNAKA T R R. MD LD WE E WM. EW E.F Q.N VTK VIT KPF PKE VDF ES VF. VA. QS. E. IV. F. E Q. P. D. IW A. .G .E .D IG KF DG EM IG T. IG RSK L I D. KR . . . . . .E .H .F .V . .VY .EK Q S A Q G C T P R D F E T F P P V V A M L . R

K R L L E C E E K G E I . . . . . . . . . . . . N E D K D V K E S V K RR................. PDEPMFGES. . QEKR.VFNALS S TSA I ID...YLTDHYG I ............................... . 350 360 HsDus2_Q9NX74 HsDus2_Q9NX74 ScDus2_P53720 SpDus2_O74731 HsDus1_Q6P1R4 ScDus1_P53759 SpDus1_Q9HGN6 HsDus4_O95620 ScDus4_Q06063 SpDus4_O74553 HsDus2_Q9NX74 HsDus2_Q9NX74 ScDus2_P53720 SpDus2_O74731 HsDus1_Q6P1R4 ScDus1_P53759 SpDus1_Q9HGN6 HsDus4_O95620 ScDus4_Q06063 SpDus4_O74553 380 390 400 410 420 430 QK..........YQSTLWDKSKKL..................AEQAAAIVCLRSQG... . KQK.........VVPLPTDI....................................... . EED.........ICKQLDDIHEKFLCHGIALSLISADNLASAIASAHLVICMEKDESIM N EEGGTEVLSKNKQKKQLRNPHKTFDPS.LK............PKYAKCDQCGNPKGNRC V E..SVNK..KRKADVPLESADKKKDV...K............A................ . DEGPVKK..KVNASVA........................................... . ........................................................... . QE......................................................... . ........................................................... . HsDus2_Q9NX74 HsDus2_Q9NX74 ScDus2_P53720 SpDus2_O74731 HsDus1_Q6P1R4 ScDus1_P53759 SpDus1_Q9HGN6 HsDus4_O95620 ScDus4_Q06063 SpDus4_O74553 370 DTSGVIKMAVKFDRRAYPAQITPKMCLLEWCRREKLAQPVYETVQRPLDRLFSSIVTVA E .....................TDPSEYLENCRAQEKALKNANAIAKQKRKQTDHIGSDT K EKSLVI....S.........FVDLPSFLESLLA.......SNILKQLSRLHFTKIFAVS E PTGD......................LPFHWICQPYIRPGPREGSKE.KAGARSKRALE E WGGS............Y........RTVPYWRCQPYFRPVNGITGDK.R....VMQGLI D DSMG............Y........PVIPWWRVQPYIRPLEVPLVTK.R....KPVEVT A ........................................................... . ..........................VEIPYKANSCVQRSAS..............VVE R ..........................VLPCRRY.......................... . 440 460 450 470 ...........LPEG......RLGEESPSLHKRKR..EAPDQDPGGPRAQEL.....AQ P ........................................................... . EAVCDQKITIRLPINSNTNEAVVECENKSMQSKH......ALDIIQERIKDL.....EE K FSLCRGCCKKRAS......KETADCPGHGLLFKTKLEKSLAWKEAQPELQEPQPAAPGT P ........................................................... . ........................................................... . ........................................................... . ........................................................... . ........................................................... . 480 490 GDLCKKPFVALGSGEESPLEG W ..................... . AQVV................. . GGFSEV....MGSALA..... . ..................... . ..................... . ..................... . ..................... . ..................... .

Supplementary Figure S5 continued: Sequence alignment of Dus subfamilies 1, 2 and 4. Homo sapiens HsDus, S. cerevisiae ScDus and S. pombe SpDus sequences aligned by Clustal Omega. Uniprot ID references are annotated in the alignment. (a) (b) (c) (d) Supplementary Figure S6: Electrostatic surface comparison. (a) Superposition of TtDus (green), TmDus (blue) and EcDusC (yellow) structures, viewed towards the catalytic site. Electrostatic surfaces viewed in the same orientation as (a) shown for (b) TtDus; (c) TmDus and (d) EcDusC (+/- 5kT/e; red, negative; blue, positive). Compare with Fig. 3(a) in the main text showing electrostatic surface of the hDUS2. (a) (b) (c) E202 R226 L224 F166 D189 G225 R212 A211 A9 A8 G204 I223 Y176 R225 G224 G188 G201 A6 FMN G205 FMN Y279 I190 H164 M8 H168 H158 FMN MSE10 M11 R14 K132 R177 S187 N203 K130 A11 So K139 V11 Y13 E9 V12 P10 P7 N88 N90 P9 MSE34 C98 N200 M36 Q63 Q62 F33 N95 Q68 TtDus TmDus EcDusC Supplementary Figure S7: Comparison of the FMN coordination. (a) TtDus, (b) TmDus (MSE, selenomethionine) and (c) EcDusC. Residues making van der Waals contacts with FMN are shown in red; residues making hydrogen bonding interactions are shown in ball- and-stick with hydrogen bonds highlighted by dashed lines. Compare with Fig. 2(d) in the main text showing FMN coordination in hDUS2.

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    The City's actuary, Beyer Barber, has estimated that passage of the PERC legislation could reduce the City's required pension payment by $4.4 million in each of the next 4 years. The PERC legislation has been introduced in the General Assembly...
  • Gasification is more monetarily efficient than incineration

    Gasification is more monetarily efficient than incineration

    Incineration is the burning of fuels in an oxygen-rich environment, where the waste material combusts and produces heat and carbon dioxide, along with a variety of other pollutants. Gasification is the conversion of wastes into their simplest molecules.
  • University of Hawaii the School of Ocean and Earth Science ...

    University of Hawaii the School of Ocean and Earth Science ...

    Unique spectrum for each molecule * Raman Fingerprints: Chemical detection with very high confidence level UH Raman Group Raman Shift (cm-1) Intensity (a.u.) Typical Raman spectra (in 1 second) 801 Cyclohexane C6H12 1085 Calcite CaCO3 Laser at 0 cm-1 Notch...
  • Reporting Guideline for Systematic Reviews and Meta-Analyses: the

    Reporting Guideline for Systematic Reviews and Meta-Analyses: the

    Flow diagram . Original QUOROM Statement: "Provide a meta-analysis profile summarising trial flow" Revised Statement is more precise: "Give numbers of studies screened, assessed for eligibility, and included in the review, with reasons for exclusions at each stage, ideally with...
  • Pilot Study to Develop and Evaluate the South

    Pilot Study to Develop and Evaluate the South

    This study is being conducted by the Psychiatric PBRN in collaboration with EvaluTrac LLC to develop and test the Session Conversation Starter Tablet-Based Agenda Setting Tool (SCS TBAST) in the clinical setting. The SCS TBAST will allow follow-up patients to...
  • Mutual Fund Flows and Performance in Rational Markets

    Mutual Fund Flows and Performance in Rational Markets

    Update posterior mean of management ability based on return's history at time t Assume costs are independent of ability and are increasing and convex in the amount of funds under active management. These costs refer to transaction costs, not manager's...