ID 4DRUA STANDARD; PRT; 563 AA. DT CONVERTED FROM PDB (SEQRES) 4DRU DE RNA-directed RNA polymerase OS Hepatitis C virus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.185 FT #SUB 2 2 MET A 57 57 LEU B Protein S 1 FT #SUB 2 2 MET A 59 59 VAL B Protein S 2 FT #SUB 6 6 TRP A 341 341 GLU B Protein A 4 FT #SUB 6 6 TRP A 345 345 ARG B Protein B 1 FT #SUB 7 7 THR A 338 338 ALA B Protein B 3 FT #SUB 7 7 THR A 341 341 GLU B Protein B 1 FT #SUB 8 8 GLY A 337 337 ARG B Protein B 5 FT #SUB 8 8 GLY A 341 341 GLU B Protein B 2 FT #SUB 10 10 LEU A 337 337 ARG B Protein S 2 FT #SUB 53 53 THR A 57 57 LEU B Protein B 1 FT #HET 8 8 GLY A 7 607 GOL A B 4 FT #HET 9 9 ALA A 7 607 GOL A B 1 FT #HET 10 10 LEU A 7 607 GOL A A 4 FT #HET 11 11 ILE A 7 607 GOL A A 2 FT #HET 33 33 HIS A 1 601 0LN A B 1 FT #HET 34 34 HIS A 1 601 0LN A S 2 FT #HET 37 37 VAL A 1 601 0LN A A 4 FT #HET 46 46 SER A 7 607 GOL A S 1 FT #HET 48 48 ARG A 2 602 SO4 A S 7 FT #HET 49 49 GLN A 7 607 GOL A S 8 FT #HET 51 51 LYS A 2 602 SO4 A S 6 FT #HET 60 60 LEU A 5 605 SO4 A S 1 FT #HET 68 68 LEU A 5 605 SO4 A S 1 FT #HET 79 79 LYS A 3 603 SO4 A S 4 FT #HET 82 82 LEU A 6 606 GOL A S 2 FT #HET 83 83 LEU A 6 606 GOL A B 2 FT #HET 85 85 ILE A 6 606 GOL A S 3 FT #HET 120 120 ARG A 6 606 GOL A S 2 FT #HET 123 123 TRP A 6 606 GOL A S 4 FT #HET 173 173 MET A 6 606 GOL A S 2 FT #HET 221 221 THR A 2 602 SO4 A B 1 FT #HET 222 222 ARG A 2 602 SO4 A B 2 FT #HET 223 223 CYS A 2 602 SO4 A A 8 FT #HET 235 235 VAL A 5 605 SO4 A S 1 FT #HET 244 244 ASP A 3 603 SO4 A S 2 FT #HET 392 392 LEU A 1 601 0LN A A 3 FT #HET 393 393 ALA A 1 601 0LN A B 1 FT #HET 395 395 ALA A 1 601 0LN A A 4 FT #HET 396 396 ALA A 1 601 0LN A A 9 FT #HET 424 424 ILE A 1 601 0LN A S 2 FT #HET 428 428 HIS A 1 601 0LN A S 7 FT #HET 475 475 HIS A 4 604 SO4 A A 8 FT #HET 476 476 SER A 4 604 SO4 A B 5 FT #HET 492 492 LEU A 1 601 0LN A S 3 FT #HET 494 494 VAL A 1 601 0LN A S 2 FT #HET 495 495 PRO A 1 601 0LN A S 5 FT #HET 500 500 TRP A 1 601 0LN A S 4 FT #HET 503 503 ARG A 1 601 0LN A S 7 FT DISORDER 23 32 FT DISORDER 149 152 CC SEQUENCE 549 AA (ATOM); CC SMSYTWTGAL ITPCAAEESK LPHHNMVYAT TSRSASLRQK KVTFDRLQVL DDHYRDVLKE CC MKAKASTVKA KLLSIEEACK LTPPHSAKSK FGYGAKDVRN LSSRAVNHIR SVWEDLLEDT CC ETPIDTTIMA KSEVFCVQGR KPARLIVFPD LGVRVCEKMA LYDVVSTLPQ AVMGSSYGFQ CC YSPKQRVEFL VNTWKSKKCP MGFSYDTRCF DSTVTESDIR VEESIYQCCD LAPEARQAIR CC SLTERLYIGG PLTNSKGQNC GYRRCRASGV LTTSCGNTLT CYLKATAACR AAKLQDCTML CC VNGDDLVVIC ESAGTQEDAA ALRAFTEAMT RYSAPPGDPP QPEYDLELIT SCSSNVSVAH CC DASGKRVYYL TRDPTTPLAR AAWETARHTP INSWLGNIIM YAPTLWARMI LMTHFFSILL CC AQEQLEKALD CQIYGACYSI EPLDLPQIIE RLHGLSAFTL HSYSPGEINR VASCLRKLGV CC PPLRTWRHRA RSVRAKLLSQ GGRAATCGRY LFNWAVRTKL KLTPIPAASQ LDLSGWFVAG CC YSGGDIYHS CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SMSYTWTGALITPCAAEESKLPINPLSNSLLRHHNMVYATTSRSASLRQK CC ATOM SMSYTWTGALITPCAAEESKLP----------HHNMVYATTSRSASLRQK CC ********************** ****************** CC SEQRES KVTFDRLQVLDDHYRDVLKEMKAKASTVKAKLLSIEEACKLTPPHSAKSK CC ATOM KVTFDRLQVLDDHYRDVLKEMKAKASTVKAKLLSIEEACKLTPPHSAKSK CC ************************************************** CC SEQRES FGYGAKDVRNLSSRAVNHIRSVWEDLLEDTETPIDTTIMAKSEVFCVQPE CC ATOM FGYGAKDVRNLSSRAVNHIRSVWEDLLEDTETPIDTTIMAKSEVFCVQ-- CC ************************************************ CC SEQRES KGGRKPARLIVFPDLGVRVCEKMALYDVVSTLPQAVMGSSYGFQYSPKQR CC ATOM --GRKPARLIVFPDLGVRVCEKMALYDVVSTLPQAVMGSSYGFQYSPKQR CC ************************************************ CC SEQRES VEFLVNTWKSKKCPMGFSYDTRCFDSTVTESDIRVEESIYQCCDLAPEAR CC ATOM VEFLVNTWKSKKCPMGFSYDTRCFDSTVTESDIRVEESIYQCCDLAPEAR CC ************************************************** CC SEQRES QAIRSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKAT CC ATOM QAIRSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKAT CC ************************************************** CC SEQRES AACRAAKLQDCTMLVNGDDLVVICESAGTQEDAAALRAFTEAMTRYSAPP CC ATOM AACRAAKLQDCTMLVNGDDLVVICESAGTQEDAAALRAFTEAMTRYSAPP CC ************************************************** CC SEQRES GDPPQPEYDLELITSCSSNVSVAHDASGKRVYYLTRDPTTPLARAAWETA CC ATOM GDPPQPEYDLELITSCSSNVSVAHDASGKRVYYLTRDPTTPLARAAWETA CC ************************************************** CC SEQRES RHTPINSWLGNIIMYAPTLWARMILMTHFFSILLAQEQLEKALDCQIYGA CC ATOM RHTPINSWLGNIIMYAPTLWARMILMTHFFSILLAQEQLEKALDCQIYGA CC ************************************************** CC SEQRES CYSIEPLDLPQIIERLHGLSAFTLHSYSPGEINRVASCLRKLGVPPLRTW CC ATOM CYSIEPLDLPQIIERLHGLSAFTLHSYSPGEINRVASCLRKLGVPPLRTW CC ************************************************** CC SEQRES RHRARSVRAKLLSQGGRAATCGRYLFNWAVRTKLKLTPIPAASQLDLSGW CC ATOM RHRARSVRAKLLSQGGRAATCGRYLFNWAVRTKLKLTPIPAASQLDLSGW CC ************************************************** CC SEQRES FVAGYSGGDIYHS CC ATOM FVAGYSGGDIYHS CC ************* SQ SEQUENCE 563 AA; MW; CN; SMSYTWTGAL ITPCAAEESK LPINPLSNSL LRHHNMVYAT TSRSASLRQK KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSIEEACK LTPPHSAKSK FGYGAKDVRN LSSRAVNHIR SVWEDLLEDT ETPIDTTIMA KSEVFCVQPE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQAVMGSS YGFQYSPKQR VEFLVNTWKS KKCPMGFSYD TRCFDSTVTE SDIRVEESIY QCCDLAPEAR QAIRSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAT AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAAALRAFT EAMTRYSAPP GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA RHTPINSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA CYSIEPLDLP QIIERLHGLS AFTLHSYSPG EINRVASCLR KLGVPPLRTW RHRARSVRAK LLSQGGRAAT CGRYLFNWAV RTKLKLTPIP AASQLDLSGW FVAGYSGGDI YHS // ID 4DRUB STANDARD; PRT; 563 AA. DT CONVERTED FROM PDB (SEQRES) 4DRU DE RNA-directed RNA polymerase OS Hepatitis C virus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.185 FT #SUB 57 57 LEU B 2 2 MET A Protein S 1 FT #SUB 57 57 LEU B 53 53 THR A Protein S 1 FT #SUB 59 59 VAL B 2 2 MET A Protein S 2 FT #SUB 337 337 ARG B 8 8 GLY A Protein S 5 FT #SUB 337 337 ARG B 10 10 LEU A Protein S 2 FT #SUB 338 338 ALA B 7 7 THR A Protein A 3 FT #SUB 341 341 GLU B 6 6 TRP A Protein S 4 FT #SUB 341 341 GLU B 7 7 THR A Protein S 1 FT #SUB 341 341 GLU B 8 8 GLY A Protein S 2 FT #SUB 345 345 ARG B 6 6 TRP A Protein S 1 FT #HET 22 22 PRO B 9 602 SO4 B S 3 FT #HET 23 23 ILE B 9 602 SO4 B B 2 FT #HET 24 24 ASN B 9 602 SO4 B S 6 FT #HET 43 43 ARG B 13 606 SO4 B S 11 FT #HET 48 48 ARG B 12 605 SO4 B S 8 FT #HET 51 51 LYS B 12 605 SO4 B S 3 FT #HET 127 127 LEU B 20 613 GOL B A 3 FT #HET 130 130 THR B 21 614 GOL B A 4 FT #HET 131 131 GLU B 21 614 GOL B S 1 FT #HET 145 145 PHE B 23 616 GOL B S 1 FT #HET 158 158 ARG B 12 605 SO4 B S 5 FT #HET 197 197 PRO B 18 611 SO4 B A 2 FT #HET 200 200 ARG B 18 611 SO4 B S 2 FT #HET 208 208 TRP B 16 609 SO4 B S 3 FT #HET 209 209 LYS B 11 604 SO4 B S 5 FT #HET 221 221 THR B 12 605 SO4 B B 1 FT #HET 222 222 ARG B 12 605 SO4 B B 2 FT #HET 223 223 CYS B 12 605 SO4 B A 6 FT #HET 234 234 ARG B 22 615 GOL B A 3 FT #HET 238 238 SER B 22 615 GOL B S 1 FT #HET 247 247 PRO B 20 613 GOL B A 3 FT #HET 248 248 GLU B 20 613 GOL B A 3 FT #HET 251 251 GLN B 20 613 GOL B S 2 FT #HET 254 254 ARG B 21 614 GOL B S 2 FT #HET 258 258 GLU B 21 614 GOL B S 6 FT #HET 287 287 THR B 10 603 SO4 B S 1 FT #HET 288 288 SER B 10 603 SO4 B A 3 FT #HET 291 291 ASN B 10 603 SO4 B S 5 FT #HET 317 317 GLY B 10 603 SO4 B B 4 FT #HET 318 318 ASP B 10 603 SO4 B A 2 FT #HET 341 341 GLU B 7 607 GOL A S 2 FT #HET 360 360 LEU B 16 609 SO4 B S 1 FT #HET 361 361 GLU B 19 612 GOL B S 3 FT #HET 366 366 CYS B 18 611 SO4 B A 2 FT #HET 368 368 SER B 18 611 SO4 B S 2 FT #HET 369 369 ASN B 19 612 GOL B S 3 FT #HET 371 371 SER B 19 612 GOL B S 6 FT #HET 380 380 ARG B 11 604 SO4 B S 7 FT #HET 382 382 TYR B 11 604 SO4 B S 7 FT #HET 382 382 TYR B 16 609 SO4 B S 3 FT #HET 384 384 LEU B 18 611 SO4 B S 1 FT #HET 385 385 THR B 19 612 GOL B S 1 FT #HET 386 386 ARG B 23 616 GOL B S 3 FT #HET 390 390 THR B 23 616 GOL B S 4 FT #HET 394 394 ARG B 23 616 GOL B S 6 FT #HET 400 400 ALA B 9 602 SO4 B B 1 FT #HET 401 401 ARG B 9 602 SO4 B S 8 FT #HET 414 414 MET B 18 611 SO4 B S 2 FT #HET 422 422 ARG B 14 607 SO4 B S 1 FT #HET 423 423 MET B 14 607 SO4 B S 2 FT #HET 440 440 GLU B 17 610 SO4 B S 3 FT #HET 448 448 TYR B 18 611 SO4 B S 1 FT #HET 474 474 LEU B 14 607 SO4 B B 1 FT #HET 475 475 HIS B 15 608 SO4 B A 6 FT #HET 476 476 SER B 15 608 SO4 B B 4 FT #HET 477 477 TYR B 14 607 SO4 B S 3 FT #HET 478 478 SER B 19 612 GOL B S 1 FT #HET 480 480 GLY B 19 612 GOL B B 2 FT #HET 481 481 GLU B 19 612 GOL B A 8 FT #HET 484 484 ARG B 19 612 GOL B S 5 FT #HET 505 505 ARG B 8 601 SO4 B S 8 FT #HET 517 517 ARG B 17 610 SO4 B A 12 FT #HET 528 528 TRP B 14 607 SO4 B S 2 FT #HET 530 530 VAL B 8 601 SO4 B A 4 FT #HET 531 531 ARG B 8 601 SO4 B A 6 FT #HET 532 532 THR B 8 601 SO4 B A 4 FT #HET 556 556 SER B 10 603 SO4 B S 2 FT DISORDER 149 152 CC SEQUENCE 559 AA (ATOM); CC SMSYTWTGAL ITPCAAEESK LPINPLSNSL LRHHNMVYAT TSRSASLRQK KVTFDRLQVL CC DDHYRDVLKE MKAKASTVKA KLLSIEEACK LTPPHSAKSK FGYGAKDVRN LSSRAVNHIR CC SVWEDLLEDT ETPIDTTIMA KSEVFCVQGR KPARLIVFPD LGVRVCEKMA LYDVVSTLPQ CC AVMGSSYGFQ YSPKQRVEFL VNTWKSKKCP MGFSYDTRCF DSTVTESDIR VEESIYQCCD CC LAPEARQAIR SLTERLYIGG PLTNSKGQNC GYRRCRASGV LTTSCGNTLT CYLKATAACR CC AAKLQDCTML VNGDDLVVIC ESAGTQEDAA ALRAFTEAMT RYSAPPGDPP QPEYDLELIT CC SCSSNVSVAH DASGKRVYYL TRDPTTPLAR AAWETARHTP INSWLGNIIM YAPTLWARMI CC LMTHFFSILL AQEQLEKALD CQIYGACYSI EPLDLPQIIE RLHGLSAFTL HSYSPGEINR CC VASCLRKLGV PPLRTWRHRA RSVRAKLLSQ GGRAATCGRY LFNWAVRTKL KLTPIPAASQ CC LDLSGWFVAG YSGGDIYHS CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SMSYTWTGALITPCAAEESKLPINPLSNSLLRHHNMVYATTSRSASLRQK CC ATOM SMSYTWTGALITPCAAEESKLPINPLSNSLLRHHNMVYATTSRSASLRQK CC ************************************************** CC SEQRES KVTFDRLQVLDDHYRDVLKEMKAKASTVKAKLLSIEEACKLTPPHSAKSK CC ATOM KVTFDRLQVLDDHYRDVLKEMKAKASTVKAKLLSIEEACKLTPPHSAKSK CC ************************************************** CC SEQRES FGYGAKDVRNLSSRAVNHIRSVWEDLLEDTETPIDTTIMAKSEVFCVQPE CC ATOM FGYGAKDVRNLSSRAVNHIRSVWEDLLEDTETPIDTTIMAKSEVFCVQ-- CC ************************************************ CC SEQRES KGGRKPARLIVFPDLGVRVCEKMALYDVVSTLPQAVMGSSYGFQYSPKQR CC ATOM --GRKPARLIVFPDLGVRVCEKMALYDVVSTLPQAVMGSSYGFQYSPKQR CC ************************************************ CC SEQRES VEFLVNTWKSKKCPMGFSYDTRCFDSTVTESDIRVEESIYQCCDLAPEAR CC ATOM VEFLVNTWKSKKCPMGFSYDTRCFDSTVTESDIRVEESIYQCCDLAPEAR CC ************************************************** CC SEQRES QAIRSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKAT CC ATOM QAIRSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKAT CC ************************************************** CC SEQRES AACRAAKLQDCTMLVNGDDLVVICESAGTQEDAAALRAFTEAMTRYSAPP CC ATOM AACRAAKLQDCTMLVNGDDLVVICESAGTQEDAAALRAFTEAMTRYSAPP CC ************************************************** CC SEQRES GDPPQPEYDLELITSCSSNVSVAHDASGKRVYYLTRDPTTPLARAAWETA CC ATOM GDPPQPEYDLELITSCSSNVSVAHDASGKRVYYLTRDPTTPLARAAWETA CC ************************************************** CC SEQRES RHTPINSWLGNIIMYAPTLWARMILMTHFFSILLAQEQLEKALDCQIYGA CC ATOM RHTPINSWLGNIIMYAPTLWARMILMTHFFSILLAQEQLEKALDCQIYGA CC ************************************************** CC SEQRES CYSIEPLDLPQIIERLHGLSAFTLHSYSPGEINRVASCLRKLGVPPLRTW CC ATOM CYSIEPLDLPQIIERLHGLSAFTLHSYSPGEINRVASCLRKLGVPPLRTW CC ************************************************** CC SEQRES RHRARSVRAKLLSQGGRAATCGRYLFNWAVRTKLKLTPIPAASQLDLSGW CC ATOM RHRARSVRAKLLSQGGRAATCGRYLFNWAVRTKLKLTPIPAASQLDLSGW CC ************************************************** CC SEQRES FVAGYSGGDIYHS CC ATOM FVAGYSGGDIYHS CC ************* SQ SEQUENCE 563 AA; MW; CN; SMSYTWTGAL ITPCAAEESK LPINPLSNSL LRHHNMVYAT TSRSASLRQK KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSIEEACK LTPPHSAKSK FGYGAKDVRN LSSRAVNHIR SVWEDLLEDT ETPIDTTIMA KSEVFCVQPE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQAVMGSS YGFQYSPKQR VEFLVNTWKS KKCPMGFSYD TRCFDSTVTE SDIRVEESIY QCCDLAPEAR QAIRSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAT AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAAALRAFT EAMTRYSAPP GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA RHTPINSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA CYSIEPLDLP QIIERLHGLS AFTLHSYSPG EINRVASCLR KLGVPPLRTW RHRARSVRAK LLSQGGRAAT CGRYLFNWAV RTKLKLTPIP AASQLDLSGW FVAGYSGGDI YHS //