ID 2H2QA STANDARD; PRT; 521 AA. DT CONVERTED FROM PDB (SEQRES) 2H2Q DE Bifunctional dihydrofolate reductase-thymidylate synthase OS Trypanosoma cruzi CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.400 CC R-Factor 0.208 FT #SUB 166 166 PRO A 166 166 PRO B Protein S 3 FT #SUB 170 170 HIS A 199 199 GLU B Protein A 6 FT #SUB 192 192 ARG A 413 413 ASN B Protein S 7 FT #SUB 192 192 ARG A 414 414 GLY B Protein S 1 FT #SUB 192 192 ARG A 452 452 ARG B Protein S 4 FT #SUB 195 195 GLU A 275 275 ARG B Protein S 3 FT #SUB 195 195 GLU A 412 412 SER B Protein S 1 FT #SUB 195 195 GLU A 413 413 ASN B Protein S 4 FT #SUB 195 195 GLU A 415 415 GLU B Protein S 3 FT #SUB 198 198 THR A 275 275 ARG B Protein S 4 FT #SUB 199 199 GLU A 170 170 HIS B Protein A 4 FT #SUB 199 199 GLU A 276 276 ASN B Protein S 1 FT #SUB 199 199 GLU A 278 278 ARG B Protein S 4 FT #SUB 202 202 ALA A 202 202 ALA B Protein A 11 FT #SUB 202 202 ALA A 203 203 GLY B Protein B 2 FT #SUB 203 203 GLY A 202 202 ALA B Protein B 2 FT #SUB 203 203 GLY A 203 203 GLY B Protein B 4 FT #SUB 275 275 ARG A 195 195 GLU B Protein S 2 FT #SUB 275 275 ARG A 198 198 THR B Protein S 1 FT #SUB 412 412 SER A 195 195 GLU B Protein S 2 FT #SUB 413 413 ASN A 192 192 ARG B Protein A 11 FT #SUB 413 413 ASN A 195 195 GLU B Protein S 4 FT #SUB 415 415 GLU A 195 195 GLU B Protein S 1 FT #HET 27 27 VAL A 1 523 NAP A A 3 FT #HET 28 28 ALA A 1 523 NAP A A 8 FT #HET 35 35 ILE A 1 523 NAP A A 7 FT #HET 36 36 GLY A 1 523 NAP A B 1 FT #HET 37 37 ASP A 1 523 NAP A B 1 FT #HET 38 38 GLY A 1 523 NAP A B 4 FT #HET 39 39 ARG A 1 523 NAP A B 8 FT #HET 40 40 SER A 1 523 NAP A B 9 FT #HET 41 41 ILE A 1 523 NAP A A 6 FT #HET 77 77 GLY A 1 523 NAP A B 4 FT #HET 78 78 ARG A 1 523 NAP A A 12 FT #HET 79 79 LYS A 1 523 NAP A A 11 FT #HET 80 80 THR A 1 523 NAP A A 8 FT #HET 99 99 LEU A 1 523 NAP A B 4 FT #HET 100 100 SER A 1 523 NAP A A 6 FT #HET 101 101 SER A 1 523 NAP A A 7 FT #HET 102 102 THR A 1 523 NAP A A 7 FT #HET 130 130 GLY A 1 523 NAP A B 14 FT #HET 131 131 GLY A 1 523 NAP A B 6 FT #HET 154 154 ILE A 1 523 NAP A B 2 FT #HET 155 155 GLY A 1 523 NAP A B 3 FT #HET 156 156 GLY A 1 523 NAP A B 10 FT #HET 157 157 GLY A 1 523 NAP A B 6 FT #HET 158 158 SER A 1 523 NAP A A 11 FT #HET 159 159 VAL A 1 523 NAP A A 2 FT #HET 160 160 TYR A 1 523 NAP A S 2 FT #HET 403 403 CYS A 2 611 DU A S 9 FT #HET 404 404 HIS A 2 611 DU A S 2 FT #HET 422 422 GLN A 2 611 DU A S 4 FT #HET 423 423 ARG A 2 611 DU A S 8 FT #HET 424 424 SER A 2 611 DU A A 10 FT #HET 425 425 CYS A 2 611 DU A B 1 FT #HET 426 426 ASP A 2 611 DU A A 6 FT #HET 430 430 GLY A 2 611 DU A B 2 FT #HET 434 434 ASN A 2 611 DU A S 9 FT #HET 464 464 HIS A 2 611 DU A S 7 FT #HET 466 466 TYR A 2 611 DU A S 3 FT DISORDER 1 1 FT DISORDER 516 521 CC SEQUENCE 514 AA (ATOM); CC SLFKIRMPET VAEGTRLALR AFSLVVAVDE RGGIGDGRSI PWNVPEDMKF FRDVTTKLRG CC KNVKPSPAKR NAVVMGRKTW DSIPPKFRPL PGRLNVVLSS TLTTQHLLDG LPDEEKRNLH CC ADSIVAVNGG LEQALQLLAS PNYTPSIETV YCIGGGSVYA EALRPPCVHL LQAIYRTTIR CC ASESSCSVFF RVPESGTEAA AGIEWQRETI SEELTSANGN ETKYYFEKLI PRNREEEQYL CC SLVDRIIREG NVKHDRTGVG TLSIFGAQMR FSLRNNRLPL LTTKRVFWRG VCEELLWFLR CC GETYAKKLSD KGVHIWDDNG SRAFLDSRGL TEYEEMDLGP VYGFQWRHFG AAYTHHDANY CC DGQGVDQIKA IVETLKTNPD DRRMLFTAWN PSALPRMALP PCHLLAQFYV SNGELSCMLY CC QRSCDMGLGV PFNIASYALL TILIAKATGL RPGELVHTLG DAHVYSNHVE PCNEQLKRVP CC RAFPYLVFRR EREFLEDYEE GDMEVIDYAP YPPI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSLFKIRMPETVAEGTRLALRAFSLVVAVDERGGIGDGRSIPWNVPEDMK CC ATOM -SLFKIRMPETVAEGTRLALRAFSLVVAVDERGGIGDGRSIPWNVPEDMK CC ************************************************* CC SEQRES FFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS CC ATOM FFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS CC ************************************************** CC SEQRES STLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALQLLASPNYTPSIET CC ATOM STLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALQLLASPNYTPSIET CC ************************************************** CC SEQRES VYCIGGGSVYAEALRPPCVHLLQAIYRTTIRASESSCSVFFRVPESGTEA CC ATOM VYCIGGGSVYAEALRPPCVHLLQAIYRTTIRASESSCSVFFRVPESGTEA CC ************************************************** CC SEQRES AAGIEWQRETISEELTSANGNETKYYFEKLIPRNREEEQYLSLVDRIIRE CC ATOM AAGIEWQRETISEELTSANGNETKYYFEKLIPRNREEEQYLSLVDRIIRE CC ************************************************** CC SEQRES GNVKHDRTGVGTLSIFGAQMRFSLRNNRLPLLTTKRVFWRGVCEELLWFL CC ATOM GNVKHDRTGVGTLSIFGAQMRFSLRNNRLPLLTTKRVFWRGVCEELLWFL CC ************************************************** CC SEQRES RGETYAKKLSDKGVHIWDDNGSRAFLDSRGLTEYEEMDLGPVYGFQWRHF CC ATOM RGETYAKKLSDKGVHIWDDNGSRAFLDSRGLTEYEEMDLGPVYGFQWRHF CC ************************************************** CC SEQRES GAAYTHHDANYDGQGVDQIKAIVETLKTNPDDRRMLFTAWNPSALPRMAL CC ATOM GAAYTHHDANYDGQGVDQIKAIVETLKTNPDDRRMLFTAWNPSALPRMAL CC ************************************************** CC SEQRES PPCHLLAQFYVSNGELSCMLYQRSCDMGLGVPFNIASYALLTILIAKATG CC ATOM PPCHLLAQFYVSNGELSCMLYQRSCDMGLGVPFNIASYALLTILIAKATG CC ************************************************** CC SEQRES LRPGELVHTLGDAHVYSNHVEPCNEQLKRVPRAFPYLVFRREREFLEDYE CC ATOM LRPGELVHTLGDAHVYSNHVEPCNEQLKRVPRAFPYLVFRREREFLEDYE CC ************************************************** CC SEQRES EGDMEVIDYAPYPPISMKMAV CC ATOM EGDMEVIDYAPYPPI------ CC *************** SQ SEQUENCE 521 AA; MW; CN; MSLFKIRMPE TVAEGTRLAL RAFSLVVAVD ERGGIGDGRS IPWNVPEDMK FFRDVTTKLR GKNVKPSPAK RNAVVMGRKT WDSIPPKFRP LPGRLNVVLS STLTTQHLLD GLPDEEKRNL HADSIVAVNG GLEQALQLLA SPNYTPSIET VYCIGGGSVY AEALRPPCVH LLQAIYRTTI RASESSCSVF FRVPESGTEA AAGIEWQRET ISEELTSANG NETKYYFEKL IPRNREEEQY LSLVDRIIRE GNVKHDRTGV GTLSIFGAQM RFSLRNNRLP LLTTKRVFWR GVCEELLWFL RGETYAKKLS DKGVHIWDDN GSRAFLDSRG LTEYEEMDLG PVYGFQWRHF GAAYTHHDAN YDGQGVDQIK AIVETLKTNP DDRRMLFTAW NPSALPRMAL PPCHLLAQFY VSNGELSCML YQRSCDMGLG VPFNIASYAL LTILIAKATG LRPGELVHTL GDAHVYSNHV EPCNEQLKRV PRAFPYLVFR REREFLEDYE EGDMEVIDYA PYPPISMKMA V // ID 2H2QB STANDARD; PRT; 521 AA. DT CONVERTED FROM PDB (SEQRES) 2H2Q DE Bifunctional dihydrofolate reductase-thymidylate synthase OS Trypanosoma cruzi CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.400 CC R-Factor 0.208 FT #SUB 166 166 PRO B 166 166 PRO A Protein S 3 FT #SUB 170 170 HIS B 199 199 GLU A Protein A 4 FT #SUB 192 192 ARG B 413 413 ASN A Protein S 11 FT #SUB 195 195 GLU B 275 275 ARG A Protein S 2 FT #SUB 195 195 GLU B 412 412 SER A Protein S 2 FT #SUB 195 195 GLU B 413 413 ASN A Protein S 4 FT #SUB 195 195 GLU B 415 415 GLU A Protein S 1 FT #SUB 198 198 THR B 275 275 ARG A Protein S 1 FT #SUB 199 199 GLU B 170 170 HIS A Protein A 6 FT #SUB 202 202 ALA B 202 202 ALA A Protein A 11 FT #SUB 202 202 ALA B 203 203 GLY A Protein B 2 FT #SUB 203 203 GLY B 202 202 ALA A Protein B 2 FT #SUB 203 203 GLY B 203 203 GLY A Protein B 4 FT #SUB 275 275 ARG B 195 195 GLU A Protein S 3 FT #SUB 275 275 ARG B 198 198 THR A Protein S 4 FT #SUB 276 276 ASN B 199 199 GLU A Protein S 1 FT #SUB 278 278 ARG B 199 199 GLU A Protein S 4 FT #SUB 412 412 SER B 195 195 GLU A Protein S 1 FT #SUB 413 413 ASN B 192 192 ARG A Protein B 7 FT #SUB 413 413 ASN B 195 195 GLU A Protein S 4 FT #SUB 414 414 GLY B 192 192 ARG A Protein B 1 FT #SUB 415 415 GLU B 195 195 GLU A Protein S 3 FT #SUB 452 452 ARG B 192 192 ARG A Protein S 4 FT #HET 27 27 VAL B 3 524 NAP B A 3 FT #HET 28 28 ALA B 3 524 NAP B A 8 FT #HET 35 35 ILE B 3 524 NAP B S 1 FT #HET 77 77 GLY B 3 524 NAP B B 8 FT #HET 78 78 ARG B 3 524 NAP B A 18 FT #HET 79 79 LYS B 3 524 NAP B A 12 FT #HET 80 80 THR B 3 524 NAP B A 9 FT #HET 83 83 SER B 3 524 NAP B S 6 FT #HET 99 99 LEU B 3 524 NAP B B 4 FT #HET 100 100 SER B 3 524 NAP B A 10 FT #HET 101 101 SER B 3 524 NAP B A 10 FT #HET 102 102 THR B 3 524 NAP B A 6 FT #HET 130 130 GLY B 3 524 NAP B B 14 FT #HET 131 131 GLY B 3 524 NAP B B 5 FT #HET 154 154 ILE B 3 524 NAP B B 2 FT #HET 155 155 GLY B 3 524 NAP B B 3 FT #HET 156 156 GLY B 3 524 NAP B B 12 FT #HET 157 157 GLY B 3 524 NAP B B 5 FT #HET 158 158 SER B 3 524 NAP B A 5 FT #HET 160 160 TYR B 3 524 NAP B S 2 FT #HET 403 403 CYS B 4 612 DU B S 8 FT #HET 404 404 HIS B 4 612 DU B S 2 FT #HET 422 422 GLN B 4 612 DU B S 4 FT #HET 423 423 ARG B 4 612 DU B S 7 FT #HET 424 424 SER B 4 612 DU B A 9 FT #HET 425 425 CYS B 4 612 DU B B 2 FT #HET 426 426 ASP B 4 612 DU B A 8 FT #HET 430 430 GLY B 4 612 DU B B 4 FT #HET 434 434 ASN B 4 612 DU B S 9 FT #HET 464 464 HIS B 4 612 DU B S 7 FT #HET 466 466 TYR B 4 612 DU B S 4 FT DISORDER 36 42 FT DISORDER 61 65 FT DISORDER 113 116 FT DISORDER 182 188 FT DISORDER 516 521 CC SEQUENCE 492 AA (ATOM); CC MSLFKIRMPE TVAEGTRLAL RAFSLVVAVD ERGGIWNVPE DMKFFRDVTT KLRPSPAKRN CC AVVMGRKTWD SIPPKFRPLP GRLNVVLSST LTTQHLLDGL KRNLHADSIV AVNGGLEQAL CC QLLASPNYTP SIETVYCIGG GSVYAEALRP PCVHLLQAIY RTTIRVFFRV PESGTEAAAG CC IEWQRETISE ELTSANGNET KYYFEKLIPR NREEEQYLSL VDRIIREGNV KHDRTGVGTL CC SIFGAQMRFS LRNNRLPLLT TKRVFWRGVC EELLWFLRGE TYAKKLSDKG VHIWDDNGSR CC AFLDSRGLTE YEEMDLGPVY GFQWRHFGAA YTHHDANYDG QGVDQIKAIV ETLKTNPDDR CC RMLFTAWNPS ALPRMALPPC HLLAQFYVSN GELSCMLYQR SCDMGLGVPF NIASYALLTI CC LIAKATGLRP GELVHTLGDA HVYSNHVEPC NEQLKRVPRA FPYLVFRRER EFLEDYEEGD CC MEVIDYAPYP PI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSLFKIRMPETVAEGTRLALRAFSLVVAVDERGGIGDGRSIPWNVPEDMK CC ATOM MSLFKIRMPETVAEGTRLALRAFSLVVAVDERGGI-------WNVPEDMK CC *********************************** ******** CC SEQRES FFRDVTTKLRGKNVKPSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS CC ATOM FFRDVTTKLR-----PSPAKRNAVVMGRKTWDSIPPKFRPLPGRLNVVLS CC ********** *********************************** CC SEQRES STLTTQHLLDGLPDEEKRNLHADSIVAVNGGLEQALQLLASPNYTPSIET CC ATOM STLTTQHLLDGL----KRNLHADSIVAVNGGLEQALQLLASPNYTPSIET CC ************ ********************************** CC SEQRES VYCIGGGSVYAEALRPPCVHLLQAIYRTTIRASESSCSVFFRVPESGTEA CC ATOM VYCIGGGSVYAEALRPPCVHLLQAIYRTTIR-------VFFRVPESGTEA CC ******************************* ************ CC SEQRES AAGIEWQRETISEELTSANGNETKYYFEKLIPRNREEEQYLSLVDRIIRE CC ATOM AAGIEWQRETISEELTSANGNETKYYFEKLIPRNREEEQYLSLVDRIIRE CC ************************************************** CC SEQRES GNVKHDRTGVGTLSIFGAQMRFSLRNNRLPLLTTKRVFWRGVCEELLWFL CC ATOM GNVKHDRTGVGTLSIFGAQMRFSLRNNRLPLLTTKRVFWRGVCEELLWFL CC ************************************************** CC SEQRES RGETYAKKLSDKGVHIWDDNGSRAFLDSRGLTEYEEMDLGPVYGFQWRHF CC ATOM RGETYAKKLSDKGVHIWDDNGSRAFLDSRGLTEYEEMDLGPVYGFQWRHF CC ************************************************** CC SEQRES GAAYTHHDANYDGQGVDQIKAIVETLKTNPDDRRMLFTAWNPSALPRMAL CC ATOM GAAYTHHDANYDGQGVDQIKAIVETLKTNPDDRRMLFTAWNPSALPRMAL CC ************************************************** CC SEQRES PPCHLLAQFYVSNGELSCMLYQRSCDMGLGVPFNIASYALLTILIAKATG CC ATOM PPCHLLAQFYVSNGELSCMLYQRSCDMGLGVPFNIASYALLTILIAKATG CC ************************************************** CC SEQRES LRPGELVHTLGDAHVYSNHVEPCNEQLKRVPRAFPYLVFRREREFLEDYE CC ATOM LRPGELVHTLGDAHVYSNHVEPCNEQLKRVPRAFPYLVFRREREFLEDYE CC ************************************************** CC SEQRES EGDMEVIDYAPYPPISMKMAV CC ATOM EGDMEVIDYAPYPPI------ CC *************** SQ SEQUENCE 521 AA; MW; CN; MSLFKIRMPE TVAEGTRLAL RAFSLVVAVD ERGGIGDGRS IPWNVPEDMK FFRDVTTKLR GKNVKPSPAK RNAVVMGRKT WDSIPPKFRP LPGRLNVVLS STLTTQHLLD GLPDEEKRNL HADSIVAVNG GLEQALQLLA SPNYTPSIET VYCIGGGSVY AEALRPPCVH LLQAIYRTTI RASESSCSVF FRVPESGTEA AAGIEWQRET ISEELTSANG NETKYYFEKL IPRNREEEQY LSLVDRIIRE GNVKHDRTGV GTLSIFGAQM RFSLRNNRLP LLTTKRVFWR GVCEELLWFL RGETYAKKLS DKGVHIWDDN GSRAFLDSRG LTEYEEMDLG PVYGFQWRHF GAAYTHHDAN YDGQGVDQIK AIVETLKTNP DDRRMLFTAW NPSALPRMAL PPCHLLAQFY VSNGELSCML YQRSCDMGLG VPFNIASYAL LTILIAKATG LRPGELVHTL GDAHVYSNHV EPCNEQLKRV PRAFPYLVFR REREFLEDYE EGDMEVIDYA PYPPISMKMA V //