ID 5WRNB STANDARD; PRT; 289 AA. DT CONVERTED FROM PDB (SEQRES) 5WRN DE Thymidylate synthase OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.390 CC R-Factor 0.191 FT #SUB 21 45 VAL B 180 204 VAL A Protein S 1 FT #SUB 21 45 VAL B 181 205 ASN A Protein S 1 FT #SUB 23 47 LYS B 149 173 ASP A Protein S 4 FT #SUB 23 47 LYS B 178 202 TYR A Protein S 7 FT #SUB 23 47 LYS B 179 203 VAL A Protein S 2 FT #SUB 24 48 ASP B 149 173 ASP A Protein B 2 FT #SUB 31 55 THR B 151 175 ARG A Protein S 1 FT #SUB 33 57 SER B 178 202 TYR A Protein A 6 FT #SUB 35 59 PHE B 40 64 ARG A Protein B 4 FT #SUB 35 59 PHE B 176 200 GLN A Protein S 2 FT #SUB 35 59 PHE B 178 202 TYR A Protein S 15 FT #SUB 35 59 PHE B 185 209 SER A Protein S 1 FT #SUB 35 59 PHE B 186 210 CYS A Protein S 2 FT #SUB 35 59 PHE B 187 211 GLN A Protein S 3 FT #SUB 35 59 PHE B 225 249 ILE A Protein A 4 FT #SUB 36 60 GLY B 38 62 GLN A Protein B 2 FT #SUB 36 60 GLY B 40 64 ARG A Protein B 3 FT #SUB 36 60 GLY B 187 211 GLN A Protein B 1 FT #SUB 37 61 MET B 38 62 GLN A Protein B 10 FT #SUB 38 62 GLN B 36 60 GLY A Protein S 2 FT #SUB 38 62 GLN B 37 61 MET A Protein S 8 FT #SUB 38 62 GLN B 38 62 GLN A Protein A 8 FT #SUB 38 62 GLN B 227 251 THR A Protein S 1 FT #SUB 40 64 ARG B 35 59 PHE A Protein S 4 FT #SUB 40 64 ARG B 36 60 GLY A Protein S 3 FT #SUB 118 142 PHE B 159 183 ASN A Protein S 1 FT #SUB 118 142 PHE B 160 184 PRO A Protein S 6 FT #SUB 119 143 GLY B 161 185 ARG A Protein B 1 FT #SUB 134 158 VAL B 160 184 PRO A Protein S 1 FT #SUB 136 160 GLN B 160 184 PRO A Protein S 2 FT #SUB 139 163 ARG B 163 187 LEU A Protein S 1 FT #SUB 149 173 ASP B 23 47 LYS A Protein A 4 FT #SUB 149 173 ASP B 24 48 ASP A Protein S 7 FT #SUB 151 175 ARG B 23 47 LYS A Protein S 1 FT #SUB 151 175 ARG B 25 49 ASP A Protein S 2 FT #SUB 151 175 ARG B 31 55 THR A Protein S 1 FT #SUB 151 175 ARG B 191 215 ARG A Protein A 6 FT #SUB 151 175 ARG B 192 216 SER A Protein S 1 FT #SUB 151 175 ARG B 230 254 ASP A Protein S 2 FT #SUB 151 175 ARG B 232 256 HIS A Protein S 9 FT #SUB 151 175 ARG B 234 258 TYR A Protein S 3 FT #SUB 152 176 ARG B 26 50 ARG A Protein S 2 FT #SUB 152 176 ARG B 158 182 TRP A Protein A 2 FT #SUB 152 176 ARG B 169 193 PRO A Protein S 5 FT #SUB 152 176 ARG B 191 215 ARG A Protein S 5 FT #SUB 154 178 ILE B 158 182 TRP A Protein S 9 FT #SUB 154 178 ILE B 191 215 ARG A Protein S 2 FT #SUB 156 180 CYS B 158 182 TRP A Protein S 1 FT #SUB 158 182 TRP B 152 176 ARG A Protein S 1 FT #SUB 158 182 TRP B 154 178 ILE A Protein S 5 FT #SUB 158 182 TRP B 156 180 CYS A Protein S 1 FT #SUB 159 183 ASN B 118 142 PHE A Protein S 1 FT #SUB 160 184 PRO B 118 142 PHE A Protein S 5 FT #SUB 160 184 PRO B 134 158 VAL A Protein B 1 FT #SUB 160 184 PRO B 136 160 GLN A Protein S 2 FT #SUB 163 187 LEU B 139 163 ARG A Protein S 1 FT #SUB 169 193 PRO B 152 176 ARG A Protein S 2 FT #SUB 173 197 ALA B 174 198 LEU A Protein S 1 FT #SUB 174 198 LEU B 173 197 ALA A Protein S 1 FT #SUB 174 198 LEU B 189 213 TYR A Protein S 1 FT #SUB 176 200 GLN B 35 59 PHE A Protein A 3 FT #SUB 176 200 GLN B 189 213 TYR A Protein S 5 FT #SUB 176 200 GLN B 191 215 ARG A Protein S 10 FT #SUB 176 200 GLN B 229 253 GLY A Protein S 1 FT #SUB 178 202 TYR B 23 47 LYS A Protein S 6 FT #SUB 178 202 TYR B 33 57 SER A Protein S 6 FT #SUB 178 202 TYR B 35 59 PHE A Protein S 18 FT #SUB 178 202 TYR B 230 254 ASP A Protein S 2 FT #SUB 179 203 VAL B 23 47 LYS A Protein B 2 FT #SUB 180 204 VAL B 21 45 VAL A Protein S 1 FT #SUB 180 204 VAL B 22 46 ARG A Protein S 1 FT #SUB 181 205 ASN B 21 45 VAL A Protein S 1 FT #SUB 185 209 SER B 35 59 PHE A Protein S 1 FT #SUB 186 210 CYS B 35 59 PHE A Protein B 2 FT #SUB 187 211 GLN B 35 59 PHE A Protein A 4 FT #SUB 187 211 GLN B 36 60 GLY A Protein S 1 FT #SUB 187 211 GLN B 189 213 TYR A Protein S 8 FT #SUB 187 211 GLN B 227 251 THR A Protein S 1 FT #SUB 187 211 GLN B 228 252 LEU A Protein S 4 FT #SUB 187 211 GLN B 229 253 GLY A Protein S 2 FT #SUB 189 213 TYR B 174 198 LEU A Protein S 1 FT #SUB 189 213 TYR B 176 200 GLN A Protein S 6 FT #SUB 189 213 TYR B 187 211 GLN A Protein S 9 FT #SUB 189 213 TYR B 189 213 TYR A Protein S 1 FT #SUB 191 215 ARG B 151 175 ARG A Protein A 8 FT #SUB 191 215 ARG B 152 176 ARG A Protein S 5 FT #SUB 191 215 ARG B 154 178 ILE A Protein S 2 FT #SUB 191 215 ARG B 176 200 GLN A Protein A 8 FT #SUB 192 216 SER B 151 175 ARG A Protein S 2 FT #SUB 225 249 ILE B 35 59 PHE A Protein S 2 FT #SUB 227 251 THR B 38 62 GLN A Protein S 1 FT #SUB 227 251 THR B 187 211 GLN A Protein S 1 FT #SUB 227 251 THR B 227 251 THR A Protein S 3 FT #SUB 228 252 LEU B 187 211 GLN A Protein B 3 FT #SUB 229 253 GLY B 176 200 GLN A Protein B 1 FT #SUB 229 253 GLY B 187 211 GLN A Protein B 2 FT #SUB 230 254 ASP B 151 175 ARG A Protein S 6 FT #SUB 230 254 ASP B 178 202 TYR A Protein S 4 FT #SUB 232 256 HIS B 151 175 ARG A Protein S 8 FT #SUB 234 258 TYR B 151 175 ARG A Protein S 2 FT #SUB 92 116 ASP B 54 78 ARG C Protein A 2 FT #SUB 92 116 ASP B 282 306 THR C Protein S 1 FT #SUB 95 119 ASP B 54 78 ARG C Protein S 1 FT #SUB 96 120 SER B 54 78 ARG C Protein A 7 FT #SUB 101 125 THR B 103 127 GLU E Protein S 1 FT #SUB 121 145 GLU B 121 145 GLU E Protein S 5 FT #SUB 121 145 GLU B 123 147 ARG E Protein S 1 FT #SUB 124 148 ASP B 101 125 THR E Protein S 4 FT #HET 151 175 ARG B 2 400 DC A S 11 FT #HET 152 176 ARG B 2 400 DC A S 6 FT #HET 171 195 CYS B 1 400 DC B S 4 FT #HET 172 196 HIS B 1 400 DC B S 2 FT #HET 190 214 GLN B 1 400 DC B S 3 FT #HET 191 215 ARG B 1 400 DC B S 7 FT #HET 192 216 SER B 1 400 DC B A 6 FT #HET 193 217 GLY B 1 400 DC B B 2 FT #HET 194 218 ASP B 1 400 DC B A 7 FT #HET 198 222 GLY B 1 400 DC B B 1 FT #HET 202 226 ASN B 1 400 DC B S 8 FT #HET 232 256 HIS B 1 400 DC B S 6 FT #HET 234 258 TYR B 1 400 DC B S 3 FT DISORDER 25 28 FT DISORDER 287 289 CC SEQUENCE 282 AA (ATOM); CC MPPHGELQYL GQIQHILRCG VRKDTGTLSV FGMQARYSLR DEFPLLTTKR VFWKGVLEEL CC LWFIKGSTNA KELSSKGVKI WDANGSRDFL DSLGFSTREE GDLGPVYGFQ WRHFGAEYRD CC MESDYSGQGV DQLQRVIDTI KTNPDDRRII MCAWNPRDLP LMALPPCHAL CQFYVVNSEL CC SCQLYQRSGD MGLGVPFNIA SYALLTYMIA HITGLKPGDF IHTLGDAHIY LNHIEPLKIQ CC LQREPRPFPK LRILRKVEKI DDFKAEDFQI EGYNPHPTIK ME CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLL CC ATOM MPPHGELQYLGQIQHILRCGVRKD----TGTLSVFGMQARYSLRDEFPLL CC ************************ ********************** CC SEQRES TTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFS CC ATOM TTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFS CC ************************************************** CC SEQRES TREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDD CC ATOM TREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDD CC ************************************************** CC SEQRES RRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVP CC ATOM RRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVP CC ************************************************** CC SEQRES FNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPR CC ATOM FNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPR CC ************************************************** CC SEQRES PFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAV CC ATOM PFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKME--- CC ************************************ SQ SEQUENCE 289 AA; MW; CN; MPPHGELQYL GQIQHILRCG VRKDDRTGTG TLSVFGMQAR YSLRDEFPLL TTKRVFWKGV LEELLWFIKG STNAKELSSK GVKIWDANGS RDFLDSLGFS TREEGDLGPV YGFQWRHFGA EYRDMESDYS GQGVDQLQRV IDTIKTNPDD RRIIMCAWNP RDLPLMALPP CHALCQFYVV NSELSCQLYQ RSGDMGLGVP FNIASYALLT YMIAHITGLK PGDFIHTLGD AHIYLNHIEP LKIQLQREPR PFPKLRILRK VEKIDDFKAE DFQIEGYNPH PTIKMEMAV // ID 5WRNA STANDARD; PRT; 289 AA. DT CONVERTED FROM PDB (SEQRES) 5WRN DE Thymidylate synthase OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.390 CC R-Factor 0.191 FT #SUB 21 45 VAL A 180 204 VAL B Protein S 1 FT #SUB 21 45 VAL A 181 205 ASN B Protein S 1 FT #SUB 22 46 ARG A 180 204 VAL B Protein B 1 FT #SUB 23 47 LYS A 149 173 ASP B Protein S 4 FT #SUB 23 47 LYS A 151 175 ARG B Protein S 1 FT #SUB 23 47 LYS A 178 202 TYR B Protein S 6 FT #SUB 23 47 LYS A 179 203 VAL B Protein S 2 FT #SUB 24 48 ASP A 149 173 ASP B Protein A 7 FT #SUB 25 49 ASP A 151 175 ARG B Protein S 2 FT #SUB 26 50 ARG A 152 176 ARG B Protein S 2 FT #SUB 31 55 THR A 151 175 ARG B Protein S 1 FT #SUB 33 57 SER A 178 202 TYR B Protein A 6 FT #SUB 35 59 PHE A 40 64 ARG B Protein B 4 FT #SUB 35 59 PHE A 176 200 GLN B Protein S 3 FT #SUB 35 59 PHE A 178 202 TYR B Protein S 18 FT #SUB 35 59 PHE A 185 209 SER B Protein S 1 FT #SUB 35 59 PHE A 186 210 CYS B Protein S 2 FT #SUB 35 59 PHE A 187 211 GLN B Protein S 4 FT #SUB 35 59 PHE A 225 249 ILE B Protein A 2 FT #SUB 36 60 GLY A 38 62 GLN B Protein B 2 FT #SUB 36 60 GLY A 40 64 ARG B Protein B 3 FT #SUB 36 60 GLY A 187 211 GLN B Protein B 1 FT #SUB 37 61 MET A 38 62 GLN B Protein B 8 FT #SUB 38 62 GLN A 36 60 GLY B Protein S 2 FT #SUB 38 62 GLN A 37 61 MET B Protein S 10 FT #SUB 38 62 GLN A 38 62 GLN B Protein A 8 FT #SUB 38 62 GLN A 227 251 THR B Protein S 1 FT #SUB 40 64 ARG A 35 59 PHE B Protein S 4 FT #SUB 40 64 ARG A 36 60 GLY B Protein S 3 FT #SUB 118 142 PHE A 159 183 ASN B Protein S 1 FT #SUB 118 142 PHE A 160 184 PRO B Protein S 5 FT #SUB 134 158 VAL A 160 184 PRO B Protein S 1 FT #SUB 136 160 GLN A 160 184 PRO B Protein S 2 FT #SUB 139 163 ARG A 163 187 LEU B Protein S 1 FT #SUB 149 173 ASP A 23 47 LYS B Protein A 4 FT #SUB 149 173 ASP A 24 48 ASP B Protein S 2 FT #SUB 151 175 ARG A 31 55 THR B Protein S 1 FT #SUB 151 175 ARG A 191 215 ARG B Protein A 8 FT #SUB 151 175 ARG A 192 216 SER B Protein S 2 FT #SUB 151 175 ARG A 230 254 ASP B Protein S 6 FT #SUB 151 175 ARG A 232 256 HIS B Protein S 8 FT #SUB 151 175 ARG A 234 258 TYR B Protein S 2 FT #SUB 152 176 ARG A 158 182 TRP B Protein S 1 FT #SUB 152 176 ARG A 169 193 PRO B Protein S 2 FT #SUB 152 176 ARG A 191 215 ARG B Protein S 5 FT #SUB 154 178 ILE A 158 182 TRP B Protein S 5 FT #SUB 154 178 ILE A 191 215 ARG B Protein S 2 FT #SUB 156 180 CYS A 158 182 TRP B Protein S 1 FT #SUB 158 182 TRP A 152 176 ARG B Protein S 2 FT #SUB 158 182 TRP A 154 178 ILE B Protein S 9 FT #SUB 158 182 TRP A 156 180 CYS B Protein S 1 FT #SUB 159 183 ASN A 118 142 PHE B Protein S 1 FT #SUB 160 184 PRO A 118 142 PHE B Protein S 6 FT #SUB 160 184 PRO A 134 158 VAL B Protein B 1 FT #SUB 160 184 PRO A 136 160 GLN B Protein S 2 FT #SUB 161 185 ARG A 119 143 GLY B Protein S 1 FT #SUB 163 187 LEU A 139 163 ARG B Protein S 1 FT #SUB 169 193 PRO A 152 176 ARG B Protein S 5 FT #SUB 173 197 ALA A 174 198 LEU B Protein S 1 FT #SUB 174 198 LEU A 173 197 ALA B Protein S 1 FT #SUB 174 198 LEU A 189 213 TYR B Protein S 1 FT #SUB 176 200 GLN A 35 59 PHE B Protein A 2 FT #SUB 176 200 GLN A 189 213 TYR B Protein S 6 FT #SUB 176 200 GLN A 191 215 ARG B Protein S 8 FT #SUB 176 200 GLN A 229 253 GLY B Protein S 1 FT #SUB 178 202 TYR A 23 47 LYS B Protein S 7 FT #SUB 178 202 TYR A 33 57 SER B Protein S 6 FT #SUB 178 202 TYR A 35 59 PHE B Protein S 15 FT #SUB 178 202 TYR A 230 254 ASP B Protein S 4 FT #SUB 179 203 VAL A 23 47 LYS B Protein B 2 FT #SUB 180 204 VAL A 21 45 VAL B Protein S 1 FT #SUB 181 205 ASN A 21 45 VAL B Protein S 1 FT #SUB 185 209 SER A 35 59 PHE B Protein S 1 FT #SUB 186 210 CYS A 35 59 PHE B Protein B 2 FT #SUB 187 211 GLN A 35 59 PHE B Protein A 3 FT #SUB 187 211 GLN A 36 60 GLY B Protein S 1 FT #SUB 187 211 GLN A 189 213 TYR B Protein S 9 FT #SUB 187 211 GLN A 227 251 THR B Protein S 1 FT #SUB 187 211 GLN A 228 252 LEU B Protein S 3 FT #SUB 187 211 GLN A 229 253 GLY B Protein S 2 FT #SUB 189 213 TYR A 174 198 LEU B Protein S 1 FT #SUB 189 213 TYR A 176 200 GLN B Protein S 5 FT #SUB 189 213 TYR A 187 211 GLN B Protein S 8 FT #SUB 189 213 TYR A 189 213 TYR B Protein S 1 FT #SUB 191 215 ARG A 151 175 ARG B Protein S 6 FT #SUB 191 215 ARG A 152 176 ARG B Protein S 5 FT #SUB 191 215 ARG A 154 178 ILE B Protein S 2 FT #SUB 191 215 ARG A 176 200 GLN B Protein A 10 FT #SUB 192 216 SER A 151 175 ARG B Protein S 1 FT #SUB 225 249 ILE A 35 59 PHE B Protein S 4 FT #SUB 227 251 THR A 38 62 GLN B Protein S 1 FT #SUB 227 251 THR A 187 211 GLN B Protein S 1 FT #SUB 227 251 THR A 227 251 THR B Protein S 3 FT #SUB 228 252 LEU A 187 211 GLN B Protein B 4 FT #SUB 229 253 GLY A 176 200 GLN B Protein B 1 FT #SUB 229 253 GLY A 187 211 GLN B Protein B 2 FT #SUB 230 254 ASP A 151 175 ARG B Protein S 2 FT #SUB 230 254 ASP A 178 202 TYR B Protein S 2 FT #SUB 232 256 HIS A 151 175 ARG B Protein S 9 FT #SUB 234 258 TYR A 151 175 ARG B Protein S 3 FT #SUB 101 125 THR A 124 148 ASP F Protein S 4 FT #SUB 103 127 GLU A 101 125 THR F Protein S 1 FT #SUB 121 145 GLU A 121 145 GLU F Protein S 3 FT #HET 26 50 ARG A 2 400 DC A S 4 FT #HET 151 175 ARG A 1 400 DC B S 7 FT #HET 152 176 ARG A 1 400 DC B S 8 FT #HET 171 195 CYS A 2 400 DC A S 7 FT #HET 172 196 HIS A 2 400 DC A S 2 FT #HET 190 214 GLN A 2 400 DC A S 3 FT #HET 191 215 ARG A 2 400 DC A S 8 FT #HET 192 216 SER A 2 400 DC A A 5 FT #HET 193 217 GLY A 2 400 DC A B 2 FT #HET 194 218 ASP A 2 400 DC A A 6 FT #HET 198 222 GLY A 2 400 DC A B 1 FT #HET 202 226 ASN A 2 400 DC A S 7 FT #HET 232 256 HIS A 2 400 DC A S 6 FT #HET 234 258 TYR A 2 400 DC A S 3 FT DISORDER 285 289 CC SEQUENCE 284 AA (ATOM); CC MPPHGELQYL GQIQHILRCG VRKDDRTGTG TLSVFGMQAR YSLRDEFPLL TTKRVFWKGV CC LEELLWFIKG STNAKELSSK GVKIWDANGS RDFLDSLGFS TREEGDLGPV YGFQWRHFGA CC EYRDMESDYS GQGVDQLQRV IDTIKTNPDD RRIIMCAWNP RDLPLMALPP CHALCQFYVV CC NSELSCQLYQ RSGDMGLGVP FNIASYALLT YMIAHITGLK PGDFIHTLGD AHIYLNHIEP CC LKIQLQREPR PFPKLRILRK VEKIDDFKAE DFQIEGYNPH PTIK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLL CC ATOM MPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLL CC ************************************************** CC SEQRES TTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFS CC ATOM TTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFS CC ************************************************** CC SEQRES TREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDD CC ATOM TREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDD CC ************************************************** CC SEQRES RRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVP CC ATOM RRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVP CC ************************************************** CC SEQRES FNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPR CC ATOM FNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPR CC ************************************************** CC SEQRES PFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAV CC ATOM PFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIK----- CC ********************************** SQ SEQUENCE 289 AA; MW; CN; MPPHGELQYL GQIQHILRCG VRKDDRTGTG TLSVFGMQAR YSLRDEFPLL TTKRVFWKGV LEELLWFIKG STNAKELSSK GVKIWDANGS RDFLDSLGFS TREEGDLGPV YGFQWRHFGA EYRDMESDYS GQGVDQLQRV IDTIKTNPDD RRIIMCAWNP RDLPLMALPP CHALCQFYVV NSELSCQLYQ RSGDMGLGVP FNIASYALLT YMIAHITGLK PGDFIHTLGD AHIYLNHIEP LKIQLQREPR PFPKLRILRK VEKIDDFKAE DFQIEGYNPH PTIKMEMAV // ID 5WRNC STANDARD; PRT; 289 AA. DT CONVERTED FROM PDB (SEQRES) 5WRN DE Thymidylate synthase OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.390 CC R-Factor 0.191 FT #SUB 54 78 ARG C 92 116 ASP B Protein S 2 FT #SUB 54 78 ARG C 95 119 ASP B Protein S 1 FT #SUB 54 78 ARG C 96 120 SER B Protein S 7 FT #SUB 282 306 THR C 92 116 ASP B Protein S 1 FT #SUB 21 45 VAL C 180 204 VAL D Protein S 1 FT #SUB 21 45 VAL C 181 205 ASN D Protein S 1 FT #SUB 22 46 ARG C 180 204 VAL D Protein B 1 FT #SUB 23 47 LYS C 149 173 ASP D Protein S 3 FT #SUB 23 47 LYS C 178 202 TYR D Protein S 8 FT #SUB 23 47 LYS C 179 203 VAL D Protein S 2 FT #SUB 23 47 LYS C 180 204 VAL D Protein S 1 FT #SUB 24 48 ASP C 149 173 ASP D Protein A 8 FT #SUB 25 49 ASP C 151 175 ARG D Protein S 6 FT #SUB 26 50 ARG C 151 175 ARG D Protein S 1 FT #SUB 26 50 ARG C 152 176 ARG D Protein S 2 FT #SUB 33 57 SER C 178 202 TYR D Protein A 6 FT #SUB 35 59 PHE C 40 64 ARG D Protein B 4 FT #SUB 35 59 PHE C 176 200 GLN D Protein S 5 FT #SUB 35 59 PHE C 178 202 TYR D Protein S 16 FT #SUB 35 59 PHE C 185 209 SER D Protein S 1 FT #SUB 35 59 PHE C 186 210 CYS D Protein S 1 FT #SUB 35 59 PHE C 187 211 GLN D Protein S 4 FT #SUB 35 59 PHE C 225 249 ILE D Protein A 4 FT #SUB 36 60 GLY C 38 62 GLN D Protein B 2 FT #SUB 36 60 GLY C 40 64 ARG D Protein B 3 FT #SUB 36 60 GLY C 187 211 GLN D Protein B 1 FT #SUB 37 61 MET C 38 62 GLN D Protein B 9 FT #SUB 38 62 GLN C 36 60 GLY D Protein S 2 FT #SUB 38 62 GLN C 37 61 MET D Protein S 8 FT #SUB 38 62 GLN C 38 62 GLN D Protein A 8 FT #SUB 38 62 GLN C 227 251 THR D Protein S 1 FT #SUB 40 64 ARG C 35 59 PHE D Protein S 4 FT #SUB 40 64 ARG C 36 60 GLY D Protein S 4 FT #SUB 118 142 PHE C 159 183 ASN D Protein S 1 FT #SUB 118 142 PHE C 160 184 PRO D Protein S 5 FT #SUB 134 158 VAL C 160 184 PRO D Protein S 1 FT #SUB 136 160 GLN C 160 184 PRO D Protein S 2 FT #SUB 149 173 ASP C 23 47 LYS D Protein A 8 FT #SUB 151 175 ARG C 31 55 THR D Protein S 1 FT #SUB 151 175 ARG C 191 215 ARG D Protein A 7 FT #SUB 151 175 ARG C 192 216 SER D Protein S 1 FT #SUB 151 175 ARG C 230 254 ASP D Protein S 2 FT #SUB 151 175 ARG C 232 256 HIS D Protein S 6 FT #SUB 151 175 ARG C 234 258 TYR D Protein S 1 FT #SUB 152 176 ARG C 158 182 TRP D Protein A 3 FT #SUB 152 176 ARG C 169 193 PRO D Protein S 3 FT #SUB 152 176 ARG C 191 215 ARG D Protein S 2 FT #SUB 154 178 ILE C 158 182 TRP D Protein S 10 FT #SUB 154 178 ILE C 191 215 ARG D Protein S 2 FT #SUB 156 180 CYS C 158 182 TRP D Protein S 1 FT #SUB 158 182 TRP C 152 176 ARG D Protein S 3 FT #SUB 158 182 TRP C 154 178 ILE D Protein S 6 FT #SUB 158 182 TRP C 156 180 CYS D Protein S 1 FT #SUB 159 183 ASN C 118 142 PHE D Protein S 1 FT #SUB 160 184 PRO C 118 142 PHE D Protein S 5 FT #SUB 160 184 PRO C 134 158 VAL D Protein B 2 FT #SUB 160 184 PRO C 136 160 GLN D Protein S 2 FT #SUB 161 185 ARG C 119 143 GLY D Protein S 1 FT #SUB 169 193 PRO C 152 176 ARG D Protein S 5 FT #SUB 173 197 ALA C 174 198 LEU D Protein S 1 FT #SUB 174 198 LEU C 173 197 ALA D Protein S 1 FT #SUB 176 200 GLN C 35 59 PHE D Protein A 3 FT #SUB 176 200 GLN C 189 213 TYR D Protein S 5 FT #SUB 176 200 GLN C 191 215 ARG D Protein S 10 FT #SUB 176 200 GLN C 229 253 GLY D Protein S 1 FT #SUB 178 202 TYR C 23 47 LYS D Protein S 3 FT #SUB 178 202 TYR C 33 57 SER D Protein S 6 FT #SUB 178 202 TYR C 35 59 PHE D Protein S 17 FT #SUB 178 202 TYR C 230 254 ASP D Protein S 3 FT #SUB 179 203 VAL C 23 47 LYS D Protein B 2 FT #SUB 180 204 VAL C 21 45 VAL D Protein S 1 FT #SUB 181 205 ASN C 21 45 VAL D Protein S 1 FT #SUB 185 209 SER C 35 59 PHE D Protein S 1 FT #SUB 186 210 CYS C 35 59 PHE D Protein B 1 FT #SUB 187 211 GLN C 35 59 PHE D Protein A 4 FT #SUB 187 211 GLN C 36 60 GLY D Protein S 1 FT #SUB 187 211 GLN C 189 213 TYR D Protein S 9 FT #SUB 187 211 GLN C 227 251 THR D Protein S 1 FT #SUB 187 211 GLN C 228 252 LEU D Protein S 4 FT #SUB 187 211 GLN C 229 253 GLY D Protein S 2 FT #SUB 189 213 TYR C 174 198 LEU D Protein S 1 FT #SUB 189 213 TYR C 176 200 GLN D Protein S 5 FT #SUB 189 213 TYR C 187 211 GLN D Protein S 8 FT #SUB 189 213 TYR C 189 213 TYR D Protein S 1 FT #SUB 191 215 ARG C 151 175 ARG D Protein A 7 FT #SUB 191 215 ARG C 152 176 ARG D Protein S 3 FT #SUB 191 215 ARG C 154 178 ILE D Protein S 2 FT #SUB 191 215 ARG C 176 200 GLN D Protein A 9 FT #SUB 192 216 SER C 151 175 ARG D Protein S 2 FT #SUB 225 249 ILE C 35 59 PHE D Protein S 3 FT #SUB 227 251 THR C 38 62 GLN D Protein S 1 FT #SUB 227 251 THR C 187 211 GLN D Protein S 1 FT #SUB 227 251 THR C 227 251 THR D Protein S 3 FT #SUB 228 252 LEU C 187 211 GLN D Protein B 4 FT #SUB 229 253 GLY C 176 200 GLN D Protein B 1 FT #SUB 229 253 GLY C 187 211 GLN D Protein B 2 FT #SUB 230 254 ASP C 151 175 ARG D Protein S 5 FT #SUB 230 254 ASP C 178 202 TYR D Protein S 3 FT #SUB 232 256 HIS C 151 175 ARG D Protein S 3 FT #SUB 234 258 TYR C 151 175 ARG D Protein S 3 FT #SUB 58 82 LYS C 126 150 GLU E Protein S 1 FT #SUB 73 97 ASN C 79 103 SER E Protein S 3 FT #SUB 75 99 LYS C 79 103 SER E Protein A 4 FT #SUB 76 100 GLU C 79 103 SER E Protein A 4 FT #SUB 76 100 GLU C 80 104 LYS E Protein S 5 FT #SUB 78 102 SER C 75 99 LYS E Protein B 2 FT #SUB 79 103 SER C 73 97 ASN E Protein B 2 FT #SUB 79 103 SER C 75 99 LYS E Protein A 2 FT #SUB 79 103 SER C 76 100 GLU E Protein S 4 FT #SUB 83 107 LYS C 75 99 LYS E Protein S 1 FT #SUB 126 150 GLU C 58 82 LYS E Protein S 1 FT #SUB 126 150 GLU C 79 103 SER E Protein S 1 FT #SUB 126 150 GLU C 80 104 LYS E Protein S 2 FT #SUB 126 150 GLU C 81 105 GLY E Protein S 1 FT #SUB 128 152 ASP C 270 294 GLU E Protein S 2 FT #SUB 270 294 GLU C 128 152 ASP E Protein S 2 FT #HET 26 50 ARG C 3 400 DC C S 11 FT #HET 151 175 ARG C 4 400 DC D S 11 FT #HET 152 176 ARG C 4 400 DC D S 5 FT #HET 171 195 CYS C 3 400 DC C S 3 FT #HET 172 196 HIS C 3 400 DC C S 2 FT #HET 190 214 GLN C 3 400 DC C S 2 FT #HET 191 215 ARG C 3 400 DC C S 8 FT #HET 192 216 SER C 3 400 DC C A 6 FT #HET 193 217 GLY C 3 400 DC C B 2 FT #HET 194 218 ASP C 3 400 DC C A 8 FT #HET 198 222 GLY C 3 400 DC C B 2 FT #HET 202 226 ASN C 3 400 DC C S 9 FT #HET 232 256 HIS C 3 400 DC C S 7 FT #HET 234 258 TYR C 3 400 DC C S 4 FT DISORDER 283 289 CC SEQUENCE 282 AA (ATOM); CC MPPHGELQYL GQIQHILRCG VRKDDRTGTG TLSVFGMQAR YSLRDEFPLL TTKRVFWKGV CC LEELLWFIKG STNAKELSSK GVKIWDANGS RDFLDSLGFS TREEGDLGPV YGFQWRHFGA CC EYRDMESDYS GQGVDQLQRV IDTIKTNPDD RRIIMCAWNP RDLPLMALPP CHALCQFYVV CC NSELSCQLYQ RSGDMGLGVP FNIASYALLT YMIAHITGLK PGDFIHTLGD AHIYLNHIEP CC LKIQLQREPR PFPKLRILRK VEKIDDFKAE DFQIEGYNPH PT CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLL CC ATOM MPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLL CC ************************************************** CC SEQRES TTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFS CC ATOM TTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFS CC ************************************************** CC SEQRES TREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDD CC ATOM TREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDD CC ************************************************** CC SEQRES RRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVP CC ATOM RRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVP CC ************************************************** CC SEQRES FNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPR CC ATOM FNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPR CC ************************************************** CC SEQRES PFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAV CC ATOM PFPKLRILRKVEKIDDFKAEDFQIEGYNPHPT------- CC ******************************** SQ SEQUENCE 289 AA; MW; CN; MPPHGELQYL GQIQHILRCG VRKDDRTGTG TLSVFGMQAR YSLRDEFPLL TTKRVFWKGV LEELLWFIKG STNAKELSSK GVKIWDANGS RDFLDSLGFS TREEGDLGPV YGFQWRHFGA EYRDMESDYS GQGVDQLQRV IDTIKTNPDD RRIIMCAWNP RDLPLMALPP CHALCQFYVV NSELSCQLYQ RSGDMGLGVP FNIASYALLT YMIAHITGLK PGDFIHTLGD AHIYLNHIEP LKIQLQREPR PFPKLRILRK VEKIDDFKAE DFQIEGYNPH PTIKMEMAV // ID 5WRND STANDARD; PRT; 289 AA. DT CONVERTED FROM PDB (SEQRES) 5WRN DE Thymidylate synthase OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.390 CC R-Factor 0.191 FT #SUB 21 45 VAL D 180 204 VAL C Protein S 1 FT #SUB 21 45 VAL D 181 205 ASN C Protein S 1 FT #SUB 23 47 LYS D 149 173 ASP C Protein A 8 FT #SUB 23 47 LYS D 178 202 TYR C Protein S 3 FT #SUB 23 47 LYS D 179 203 VAL C Protein S 2 FT #SUB 31 55 THR D 151 175 ARG C Protein S 1 FT #SUB 33 57 SER D 178 202 TYR C Protein A 6 FT #SUB 35 59 PHE D 40 64 ARG C Protein B 4 FT #SUB 35 59 PHE D 176 200 GLN C Protein S 3 FT #SUB 35 59 PHE D 178 202 TYR C Protein S 17 FT #SUB 35 59 PHE D 185 209 SER C Protein S 1 FT #SUB 35 59 PHE D 186 210 CYS C Protein S 1 FT #SUB 35 59 PHE D 187 211 GLN C Protein S 4 FT #SUB 35 59 PHE D 225 249 ILE C Protein A 3 FT #SUB 36 60 GLY D 38 62 GLN C Protein B 2 FT #SUB 36 60 GLY D 40 64 ARG C Protein B 4 FT #SUB 36 60 GLY D 187 211 GLN C Protein B 1 FT #SUB 37 61 MET D 38 62 GLN C Protein B 8 FT #SUB 38 62 GLN D 36 60 GLY C Protein S 2 FT #SUB 38 62 GLN D 37 61 MET C Protein S 9 FT #SUB 38 62 GLN D 38 62 GLN C Protein A 8 FT #SUB 38 62 GLN D 227 251 THR C Protein S 1 FT #SUB 40 64 ARG D 35 59 PHE C Protein S 4 FT #SUB 40 64 ARG D 36 60 GLY C Protein S 3 FT #SUB 118 142 PHE D 159 183 ASN C Protein S 1 FT #SUB 118 142 PHE D 160 184 PRO C Protein S 5 FT #SUB 119 143 GLY D 161 185 ARG C Protein B 1 FT #SUB 134 158 VAL D 160 184 PRO C Protein S 2 FT #SUB 136 160 GLN D 160 184 PRO C Protein S 2 FT #SUB 149 173 ASP D 23 47 LYS C Protein A 3 FT #SUB 149 173 ASP D 24 48 ASP C Protein S 8 FT #SUB 151 175 ARG D 25 49 ASP C Protein S 6 FT #SUB 151 175 ARG D 26 50 ARG C Protein S 1 FT #SUB 151 175 ARG D 191 215 ARG C Protein A 7 FT #SUB 151 175 ARG D 192 216 SER C Protein S 2 FT #SUB 151 175 ARG D 230 254 ASP C Protein S 5 FT #SUB 151 175 ARG D 232 256 HIS C Protein S 3 FT #SUB 151 175 ARG D 234 258 TYR C Protein S 3 FT #SUB 152 176 ARG D 26 50 ARG C Protein S 2 FT #SUB 152 176 ARG D 158 182 TRP C Protein A 3 FT #SUB 152 176 ARG D 169 193 PRO C Protein S 5 FT #SUB 152 176 ARG D 191 215 ARG C Protein S 3 FT #SUB 154 178 ILE D 158 182 TRP C Protein S 6 FT #SUB 154 178 ILE D 191 215 ARG C Protein S 2 FT #SUB 156 180 CYS D 158 182 TRP C Protein S 1 FT #SUB 158 182 TRP D 152 176 ARG C Protein S 3 FT #SUB 158 182 TRP D 154 178 ILE C Protein S 10 FT #SUB 158 182 TRP D 156 180 CYS C Protein S 1 FT #SUB 159 183 ASN D 118 142 PHE C Protein S 1 FT #SUB 160 184 PRO D 118 142 PHE C Protein S 5 FT #SUB 160 184 PRO D 134 158 VAL C Protein B 1 FT #SUB 160 184 PRO D 136 160 GLN C Protein S 2 FT #SUB 169 193 PRO D 152 176 ARG C Protein S 3 FT #SUB 173 197 ALA D 174 198 LEU C Protein S 1 FT #SUB 174 198 LEU D 173 197 ALA C Protein S 1 FT #SUB 174 198 LEU D 189 213 TYR C Protein S 1 FT #SUB 176 200 GLN D 35 59 PHE C Protein A 5 FT #SUB 176 200 GLN D 189 213 TYR C Protein S 5 FT #SUB 176 200 GLN D 191 215 ARG C Protein S 9 FT #SUB 176 200 GLN D 229 253 GLY C Protein S 1 FT #SUB 178 202 TYR D 23 47 LYS C Protein S 8 FT #SUB 178 202 TYR D 33 57 SER C Protein S 6 FT #SUB 178 202 TYR D 35 59 PHE C Protein S 16 FT #SUB 178 202 TYR D 230 254 ASP C Protein S 3 FT #SUB 179 203 VAL D 23 47 LYS C Protein B 2 FT #SUB 180 204 VAL D 21 45 VAL C Protein S 1 FT #SUB 180 204 VAL D 22 46 ARG C Protein S 1 FT #SUB 180 204 VAL D 23 47 LYS C Protein S 1 FT #SUB 181 205 ASN D 21 45 VAL C Protein S 1 FT #SUB 185 209 SER D 35 59 PHE C Protein S 1 FT #SUB 186 210 CYS D 35 59 PHE C Protein B 1 FT #SUB 187 211 GLN D 35 59 PHE C Protein A 4 FT #SUB 187 211 GLN D 36 60 GLY C Protein S 1 FT #SUB 187 211 GLN D 189 213 TYR C Protein S 8 FT #SUB 187 211 GLN D 227 251 THR C Protein S 1 FT #SUB 187 211 GLN D 228 252 LEU C Protein S 4 FT #SUB 187 211 GLN D 229 253 GLY C Protein S 2 FT #SUB 189 213 TYR D 176 200 GLN C Protein S 5 FT #SUB 189 213 TYR D 187 211 GLN C Protein S 9 FT #SUB 189 213 TYR D 189 213 TYR C Protein S 1 FT #SUB 191 215 ARG D 151 175 ARG C Protein S 7 FT #SUB 191 215 ARG D 152 176 ARG C Protein S 2 FT #SUB 191 215 ARG D 154 178 ILE C Protein S 2 FT #SUB 191 215 ARG D 176 200 GLN C Protein A 10 FT #SUB 192 216 SER D 151 175 ARG C Protein S 1 FT #SUB 225 249 ILE D 35 59 PHE C Protein S 4 FT #SUB 227 251 THR D 38 62 GLN C Protein S 1 FT #SUB 227 251 THR D 187 211 GLN C Protein S 1 FT #SUB 227 251 THR D 227 251 THR C Protein S 3 FT #SUB 228 252 LEU D 187 211 GLN C Protein B 4 FT #SUB 229 253 GLY D 176 200 GLN C Protein B 1 FT #SUB 229 253 GLY D 187 211 GLN C Protein B 2 FT #SUB 230 254 ASP D 151 175 ARG C Protein S 2 FT #SUB 230 254 ASP D 178 202 TYR C Protein S 3 FT #SUB 232 256 HIS D 151 175 ARG C Protein S 6 FT #SUB 234 258 TYR D 151 175 ARG C Protein S 1 FT #HET 151 175 ARG D 3 400 DC C S 14 FT #HET 152 176 ARG D 3 400 DC C S 6 FT #HET 171 195 CYS D 4 400 DC D S 5 FT #HET 172 196 HIS D 4 400 DC D S 2 FT #HET 190 214 GLN D 4 400 DC D S 3 FT #HET 191 215 ARG D 4 400 DC D S 8 FT #HET 192 216 SER D 4 400 DC D A 7 FT #HET 193 217 GLY D 4 400 DC D B 2 FT #HET 194 218 ASP D 4 400 DC D A 7 FT #HET 198 222 GLY D 4 400 DC D B 1 FT #HET 202 226 ASN D 4 400 DC D S 9 FT #HET 232 256 HIS D 4 400 DC D S 7 FT #HET 234 258 TYR D 4 400 DC D S 5 FT DISORDER 287 289 CC SEQUENCE 286 AA (ATOM); CC MPPHGELQYL GQIQHILRCG VRKDDRTGTG TLSVFGMQAR YSLRDEFPLL TTKRVFWKGV CC LEELLWFIKG STNAKELSSK GVKIWDANGS RDFLDSLGFS TREEGDLGPV YGFQWRHFGA CC EYRDMESDYS GQGVDQLQRV IDTIKTNPDD RRIIMCAWNP RDLPLMALPP CHALCQFYVV CC NSELSCQLYQ RSGDMGLGVP FNIASYALLT YMIAHITGLK PGDFIHTLGD AHIYLNHIEP CC LKIQLQREPR PFPKLRILRK VEKIDDFKAE DFQIEGYNPH PTIKME CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLL CC ATOM MPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLL CC ************************************************** CC SEQRES TTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFS CC ATOM TTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFS CC ************************************************** CC SEQRES TREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDD CC ATOM TREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDD CC ************************************************** CC SEQRES RRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVP CC ATOM RRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVP CC ************************************************** CC SEQRES FNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPR CC ATOM FNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPR CC ************************************************** CC SEQRES PFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAV CC ATOM PFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKME--- CC ************************************ SQ SEQUENCE 289 AA; MW; CN; MPPHGELQYL GQIQHILRCG VRKDDRTGTG TLSVFGMQAR YSLRDEFPLL TTKRVFWKGV LEELLWFIKG STNAKELSSK GVKIWDANGS RDFLDSLGFS TREEGDLGPV YGFQWRHFGA EYRDMESDYS GQGVDQLQRV IDTIKTNPDD RRIIMCAWNP RDLPLMALPP CHALCQFYVV NSELSCQLYQ RSGDMGLGVP FNIASYALLT YMIAHITGLK PGDFIHTLGD AHIYLNHIEP LKIQLQREPR PFPKLRILRK VEKIDDFKAE DFQIEGYNPH PTIKMEMAV // ID 5WRNE STANDARD; PRT; 289 AA. DT CONVERTED FROM PDB (SEQRES) 5WRN DE Thymidylate synthase OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.390 CC R-Factor 0.191 FT #SUB 101 125 THR E 124 148 ASP B Protein S 4 FT #SUB 103 127 GLU E 101 125 THR B Protein S 1 FT #SUB 121 145 GLU E 121 145 GLU B Protein S 5 FT #SUB 123 147 ARG E 121 145 GLU B Protein S 1 FT #SUB 58 82 LYS E 126 150 GLU C Protein S 1 FT #SUB 73 97 ASN E 79 103 SER C Protein S 2 FT #SUB 75 99 LYS E 78 102 SER C Protein S 2 FT #SUB 75 99 LYS E 79 103 SER C Protein A 2 FT #SUB 75 99 LYS E 83 107 LYS C Protein S 1 FT #SUB 76 100 GLU E 79 103 SER C Protein A 4 FT #SUB 79 103 SER E 73 97 ASN C Protein B 3 FT #SUB 79 103 SER E 75 99 LYS C Protein A 4 FT #SUB 79 103 SER E 76 100 GLU C Protein S 4 FT #SUB 79 103 SER E 126 150 GLU C Protein B 1 FT #SUB 80 104 LYS E 76 100 GLU C Protein S 5 FT #SUB 80 104 LYS E 126 150 GLU C Protein B 2 FT #SUB 81 105 GLY E 126 150 GLU C Protein B 1 FT #SUB 126 150 GLU E 58 82 LYS C Protein S 1 FT #SUB 128 152 ASP E 270 294 GLU C Protein S 2 FT #SUB 270 294 GLU E 128 152 ASP C Protein S 2 FT #SUB 21 45 VAL E 180 204 VAL F Protein S 1 FT #SUB 21 45 VAL E 181 205 ASN F Protein S 2 FT #SUB 23 47 LYS E 149 173 ASP F Protein S 6 FT #SUB 23 47 LYS E 178 202 TYR F Protein S 4 FT #SUB 23 47 LYS E 179 203 VAL F Protein S 2 FT #SUB 24 48 ASP E 149 173 ASP F Protein A 6 FT #SUB 25 49 ASP E 151 175 ARG F Protein S 1 FT #SUB 31 55 THR E 151 175 ARG F Protein S 1 FT #SUB 33 57 SER E 178 202 TYR F Protein A 6 FT #SUB 35 59 PHE E 40 64 ARG F Protein B 4 FT #SUB 35 59 PHE E 176 200 GLN F Protein S 3 FT #SUB 35 59 PHE E 178 202 TYR F Protein S 18 FT #SUB 35 59 PHE E 185 209 SER F Protein S 1 FT #SUB 35 59 PHE E 186 210 CYS F Protein S 2 FT #SUB 35 59 PHE E 187 211 GLN F Protein S 4 FT #SUB 35 59 PHE E 225 249 ILE F Protein S 1 FT #SUB 36 60 GLY E 38 62 GLN F Protein B 2 FT #SUB 36 60 GLY E 40 64 ARG F Protein B 2 FT #SUB 36 60 GLY E 187 211 GLN F Protein B 1 FT #SUB 37 61 MET E 38 62 GLN F Protein B 9 FT #SUB 38 62 GLN E 36 60 GLY F Protein S 2 FT #SUB 38 62 GLN E 37 61 MET F Protein S 9 FT #SUB 38 62 GLN E 38 62 GLN F Protein A 7 FT #SUB 38 62 GLN E 227 251 THR F Protein S 1 FT #SUB 40 64 ARG E 35 59 PHE F Protein S 4 FT #SUB 40 64 ARG E 36 60 GLY F Protein S 2 FT #SUB 118 142 PHE E 159 183 ASN F Protein S 1 FT #SUB 118 142 PHE E 160 184 PRO F Protein S 7 FT #SUB 134 158 VAL E 160 184 PRO F Protein S 1 FT #SUB 136 160 GLN E 160 184 PRO F Protein S 3 FT #SUB 148 172 PRO E 23 47 LYS F Protein B 1 FT #SUB 149 173 ASP E 23 47 LYS F Protein A 4 FT #SUB 151 175 ARG E 31 55 THR F Protein S 1 FT #SUB 151 175 ARG E 191 215 ARG F Protein A 7 FT #SUB 151 175 ARG E 192 216 SER F Protein S 2 FT #SUB 151 175 ARG E 230 254 ASP F Protein S 6 FT #SUB 151 175 ARG E 232 256 HIS F Protein S 8 FT #SUB 151 175 ARG E 234 258 TYR F Protein S 2 FT #SUB 152 176 ARG E 158 182 TRP F Protein B 1 FT #SUB 152 176 ARG E 169 193 PRO F Protein S 4 FT #SUB 152 176 ARG E 191 215 ARG F Protein S 4 FT #SUB 154 178 ILE E 158 182 TRP F Protein S 7 FT #SUB 154 178 ILE E 191 215 ARG F Protein S 2 FT #SUB 156 180 CYS E 156 180 CYS F Protein S 1 FT #SUB 156 180 CYS E 158 182 TRP F Protein S 1 FT #SUB 158 182 TRP E 152 176 ARG F Protein S 2 FT #SUB 158 182 TRP E 154 178 ILE F Protein S 7 FT #SUB 158 182 TRP E 156 180 CYS F Protein S 1 FT #SUB 159 183 ASN E 118 142 PHE F Protein S 1 FT #SUB 160 184 PRO E 118 142 PHE F Protein S 6 FT #SUB 160 184 PRO E 134 158 VAL F Protein B 2 FT #SUB 160 184 PRO E 136 160 GLN F Protein S 2 FT #SUB 169 193 PRO E 152 176 ARG F Protein S 4 FT #SUB 173 197 ALA E 174 198 LEU F Protein S 1 FT #SUB 174 198 LEU E 173 197 ALA F Protein S 1 FT #SUB 174 198 LEU E 189 213 TYR F Protein S 1 FT #SUB 176 200 GLN E 35 59 PHE F Protein A 5 FT #SUB 176 200 GLN E 189 213 TYR F Protein S 6 FT #SUB 176 200 GLN E 191 215 ARG F Protein S 10 FT #SUB 176 200 GLN E 229 253 GLY F Protein S 1 FT #SUB 178 202 TYR E 23 47 LYS F Protein S 6 FT #SUB 178 202 TYR E 33 57 SER F Protein S 6 FT #SUB 178 202 TYR E 35 59 PHE F Protein S 17 FT #SUB 178 202 TYR E 230 254 ASP F Protein S 3 FT #SUB 179 203 VAL E 23 47 LYS F Protein B 4 FT #SUB 180 204 VAL E 21 45 VAL F Protein S 1 FT #SUB 181 205 ASN E 21 45 VAL F Protein S 1 FT #SUB 185 209 SER E 35 59 PHE F Protein S 1 FT #SUB 186 210 CYS E 35 59 PHE F Protein B 1 FT #SUB 187 211 GLN E 35 59 PHE F Protein A 4 FT #SUB 187 211 GLN E 36 60 GLY F Protein S 1 FT #SUB 187 211 GLN E 189 213 TYR F Protein S 9 FT #SUB 187 211 GLN E 227 251 THR F Protein S 1 FT #SUB 187 211 GLN E 228 252 LEU F Protein S 3 FT #SUB 187 211 GLN E 229 253 GLY F Protein S 2 FT #SUB 189 213 TYR E 174 198 LEU F Protein S 1 FT #SUB 189 213 TYR E 176 200 GLN F Protein S 5 FT #SUB 189 213 TYR E 187 211 GLN F Protein S 8 FT #SUB 191 215 ARG E 151 175 ARG F Protein S 6 FT #SUB 191 215 ARG E 152 176 ARG F Protein S 4 FT #SUB 191 215 ARG E 154 178 ILE F Protein S 2 FT #SUB 191 215 ARG E 176 200 GLN F Protein A 9 FT #SUB 192 216 SER E 151 175 ARG F Protein S 1 FT #SUB 225 249 ILE E 35 59 PHE F Protein S 4 FT #SUB 227 251 THR E 38 62 GLN F Protein S 1 FT #SUB 227 251 THR E 187 211 GLN F Protein S 1 FT #SUB 227 251 THR E 227 251 THR F Protein S 3 FT #SUB 228 252 LEU E 187 211 GLN F Protein B 4 FT #SUB 229 253 GLY E 176 200 GLN F Protein B 1 FT #SUB 229 253 GLY E 187 211 GLN F Protein B 1 FT #SUB 230 254 ASP E 151 175 ARG F Protein S 4 FT #SUB 230 254 ASP E 178 202 TYR F Protein S 3 FT #SUB 232 256 HIS E 151 175 ARG F Protein S 8 FT #SUB 234 258 TYR E 151 175 ARG F Protein S 5 FT #HET 151 175 ARG E 6 400 DC F S 9 FT #HET 152 176 ARG E 6 400 DC F S 5 FT #HET 171 195 CYS E 5 400 DC E S 5 FT #HET 172 196 HIS E 5 400 DC E S 2 FT #HET 190 214 GLN E 5 400 DC E S 3 FT #HET 191 215 ARG E 5 400 DC E S 8 FT #HET 192 216 SER E 5 400 DC E S 4 FT #HET 193 217 GLY E 5 400 DC E B 1 FT #HET 194 218 ASP E 5 400 DC E A 7 FT #HET 198 222 GLY E 5 400 DC E B 1 FT #HET 202 226 ASN E 5 400 DC E S 6 FT #HET 232 256 HIS E 5 400 DC E S 7 FT #HET 234 258 TYR E 5 400 DC E S 4 FT DISORDER 287 289 CC SEQUENCE 286 AA (ATOM); CC MPPHGELQYL GQIQHILRCG VRKDDRTGTG TLSVFGMQAR YSLRDEFPLL TTKRVFWKGV CC LEELLWFIKG STNAKELSSK GVKIWDANGS RDFLDSLGFS TREEGDLGPV YGFQWRHFGA CC EYRDMESDYS GQGVDQLQRV IDTIKTNPDD RRIIMCAWNP RDLPLMALPP CHALCQFYVV CC NSELSCQLYQ RSGDMGLGVP FNIASYALLT YMIAHITGLK PGDFIHTLGD AHIYLNHIEP CC LKIQLQREPR PFPKLRILRK VEKIDDFKAE DFQIEGYNPH PTIKME CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLL CC ATOM MPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLL CC ************************************************** CC SEQRES TTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFS CC ATOM TTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFS CC ************************************************** CC SEQRES TREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDD CC ATOM TREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDD CC ************************************************** CC SEQRES RRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVP CC ATOM RRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVP CC ************************************************** CC SEQRES FNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPR CC ATOM FNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPR CC ************************************************** CC SEQRES PFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAV CC ATOM PFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKME--- CC ************************************ SQ SEQUENCE 289 AA; MW; CN; MPPHGELQYL GQIQHILRCG VRKDDRTGTG TLSVFGMQAR YSLRDEFPLL TTKRVFWKGV LEELLWFIKG STNAKELSSK GVKIWDANGS RDFLDSLGFS TREEGDLGPV YGFQWRHFGA EYRDMESDYS GQGVDQLQRV IDTIKTNPDD RRIIMCAWNP RDLPLMALPP CHALCQFYVV NSELSCQLYQ RSGDMGLGVP FNIASYALLT YMIAHITGLK PGDFIHTLGD AHIYLNHIEP LKIQLQREPR PFPKLRILRK VEKIDDFKAE DFQIEGYNPH PTIKMEMAV // ID 5WRNF STANDARD; PRT; 289 AA. DT CONVERTED FROM PDB (SEQRES) 5WRN DE Thymidylate synthase OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.390 CC R-Factor 0.191 FT #SUB 101 125 THR F 103 127 GLU A Protein S 1 FT #SUB 121 145 GLU F 121 145 GLU A Protein S 3 FT #SUB 124 148 ASP F 101 125 THR A Protein S 4 FT #SUB 21 45 VAL F 180 204 VAL E Protein S 1 FT #SUB 21 45 VAL F 181 205 ASN E Protein S 1 FT #SUB 23 47 LYS F 148 172 PRO E Protein S 1 FT #SUB 23 47 LYS F 149 173 ASP E Protein S 4 FT #SUB 23 47 LYS F 178 202 TYR E Protein S 6 FT #SUB 23 47 LYS F 179 203 VAL E Protein S 4 FT #SUB 31 55 THR F 151 175 ARG E Protein S 1 FT #SUB 33 57 SER F 178 202 TYR E Protein A 6 FT #SUB 35 59 PHE F 40 64 ARG E Protein B 4 FT #SUB 35 59 PHE F 176 200 GLN E Protein S 5 FT #SUB 35 59 PHE F 178 202 TYR E Protein S 17 FT #SUB 35 59 PHE F 185 209 SER E Protein S 1 FT #SUB 35 59 PHE F 186 210 CYS E Protein S 1 FT #SUB 35 59 PHE F 187 211 GLN E Protein S 4 FT #SUB 35 59 PHE F 225 249 ILE E Protein A 4 FT #SUB 36 60 GLY F 38 62 GLN E Protein B 2 FT #SUB 36 60 GLY F 40 64 ARG E Protein B 2 FT #SUB 36 60 GLY F 187 211 GLN E Protein B 1 FT #SUB 37 61 MET F 38 62 GLN E Protein B 9 FT #SUB 38 62 GLN F 36 60 GLY E Protein S 2 FT #SUB 38 62 GLN F 37 61 MET E Protein S 9 FT #SUB 38 62 GLN F 38 62 GLN E Protein A 7 FT #SUB 38 62 GLN F 227 251 THR E Protein S 1 FT #SUB 40 64 ARG F 35 59 PHE E Protein S 4 FT #SUB 40 64 ARG F 36 60 GLY E Protein S 2 FT #SUB 118 142 PHE F 159 183 ASN E Protein S 1 FT #SUB 118 142 PHE F 160 184 PRO E Protein S 6 FT #SUB 134 158 VAL F 160 184 PRO E Protein S 2 FT #SUB 136 160 GLN F 160 184 PRO E Protein S 2 FT #SUB 149 173 ASP F 23 47 LYS E Protein A 6 FT #SUB 149 173 ASP F 24 48 ASP E Protein S 6 FT #SUB 151 175 ARG F 25 49 ASP E Protein S 1 FT #SUB 151 175 ARG F 31 55 THR E Protein S 1 FT #SUB 151 175 ARG F 191 215 ARG E Protein A 6 FT #SUB 151 175 ARG F 192 216 SER E Protein S 1 FT #SUB 151 175 ARG F 230 254 ASP E Protein S 4 FT #SUB 151 175 ARG F 232 256 HIS E Protein S 8 FT #SUB 151 175 ARG F 234 258 TYR E Protein S 5 FT #SUB 152 176 ARG F 158 182 TRP E Protein A 2 FT #SUB 152 176 ARG F 169 193 PRO E Protein S 4 FT #SUB 152 176 ARG F 191 215 ARG E Protein S 4 FT #SUB 154 178 ILE F 158 182 TRP E Protein S 7 FT #SUB 154 178 ILE F 191 215 ARG E Protein S 2 FT #SUB 156 180 CYS F 156 180 CYS E Protein S 1 FT #SUB 156 180 CYS F 158 182 TRP E Protein S 1 FT #SUB 158 182 TRP F 152 176 ARG E Protein S 1 FT #SUB 158 182 TRP F 154 178 ILE E Protein S 7 FT #SUB 158 182 TRP F 156 180 CYS E Protein S 1 FT #SUB 159 183 ASN F 118 142 PHE E Protein S 1 FT #SUB 160 184 PRO F 118 142 PHE E Protein S 7 FT #SUB 160 184 PRO F 134 158 VAL E Protein B 1 FT #SUB 160 184 PRO F 136 160 GLN E Protein S 3 FT #SUB 169 193 PRO F 152 176 ARG E Protein S 4 FT #SUB 173 197 ALA F 174 198 LEU E Protein S 1 FT #SUB 174 198 LEU F 173 197 ALA E Protein S 1 FT #SUB 174 198 LEU F 189 213 TYR E Protein S 1 FT #SUB 176 200 GLN F 35 59 PHE E Protein A 3 FT #SUB 176 200 GLN F 189 213 TYR E Protein S 5 FT #SUB 176 200 GLN F 191 215 ARG E Protein S 9 FT #SUB 176 200 GLN F 229 253 GLY E Protein S 1 FT #SUB 178 202 TYR F 23 47 LYS E Protein S 4 FT #SUB 178 202 TYR F 33 57 SER E Protein S 6 FT #SUB 178 202 TYR F 35 59 PHE E Protein S 18 FT #SUB 178 202 TYR F 230 254 ASP E Protein S 3 FT #SUB 179 203 VAL F 23 47 LYS E Protein B 2 FT #SUB 180 204 VAL F 21 45 VAL E Protein S 1 FT #SUB 181 205 ASN F 21 45 VAL E Protein S 2 FT #SUB 185 209 SER F 35 59 PHE E Protein S 1 FT #SUB 186 210 CYS F 35 59 PHE E Protein B 2 FT #SUB 187 211 GLN F 35 59 PHE E Protein A 4 FT #SUB 187 211 GLN F 36 60 GLY E Protein S 1 FT #SUB 187 211 GLN F 189 213 TYR E Protein S 8 FT #SUB 187 211 GLN F 227 251 THR E Protein S 1 FT #SUB 187 211 GLN F 228 252 LEU E Protein S 4 FT #SUB 187 211 GLN F 229 253 GLY E Protein S 1 FT #SUB 189 213 TYR F 174 198 LEU E Protein S 1 FT #SUB 189 213 TYR F 176 200 GLN E Protein S 6 FT #SUB 189 213 TYR F 187 211 GLN E Protein S 9 FT #SUB 191 215 ARG F 151 175 ARG E Protein A 7 FT #SUB 191 215 ARG F 152 176 ARG E Protein S 4 FT #SUB 191 215 ARG F 154 178 ILE E Protein S 2 FT #SUB 191 215 ARG F 176 200 GLN E Protein A 10 FT #SUB 192 216 SER F 151 175 ARG E Protein S 2 FT #SUB 225 249 ILE F 35 59 PHE E Protein S 1 FT #SUB 227 251 THR F 38 62 GLN E Protein S 1 FT #SUB 227 251 THR F 187 211 GLN E Protein S 1 FT #SUB 227 251 THR F 227 251 THR E Protein S 3 FT #SUB 228 252 LEU F 187 211 GLN E Protein B 3 FT #SUB 229 253 GLY F 176 200 GLN E Protein B 1 FT #SUB 229 253 GLY F 187 211 GLN E Protein B 2 FT #SUB 230 254 ASP F 151 175 ARG E Protein S 6 FT #SUB 230 254 ASP F 178 202 TYR E Protein S 3 FT #SUB 232 256 HIS F 151 175 ARG E Protein S 8 FT #SUB 234 258 TYR F 151 175 ARG E Protein S 2 FT #HET 151 175 ARG F 5 400 DC E S 9 FT #HET 152 176 ARG F 5 400 DC E S 6 FT #HET 171 195 CYS F 6 400 DC F S 4 FT #HET 172 196 HIS F 6 400 DC F S 2 FT #HET 190 214 GLN F 6 400 DC F S 2 FT #HET 191 215 ARG F 6 400 DC F S 8 FT #HET 192 216 SER F 6 400 DC F A 6 FT #HET 193 217 GLY F 6 400 DC F B 2 FT #HET 194 218 ASP F 6 400 DC F A 9 FT #HET 198 222 GLY F 6 400 DC F B 2 FT #HET 202 226 ASN F 6 400 DC F S 9 FT #HET 232 256 HIS F 6 400 DC F S 7 FT #HET 234 258 TYR F 6 400 DC F S 3 FT DISORDER 25 29 FT DISORDER 283 289 CC SEQUENCE 277 AA (ATOM); CC MPPHGELQYL GQIQHILRCG VRKDGTLSVF GMQARYSLRD EFPLLTTKRV FWKGVLEELL CC WFIKGSTNAK ELSSKGVKIW DANGSRDFLD SLGFSTREEG DLGPVYGFQW RHFGAEYRDM CC ESDYSGQGVD QLQRVIDTIK TNPDDRRIIM CAWNPRDLPL MALPPCHALC QFYVVNSELS CC CQLYQRSGDM GLGVPFNIAS YALLTYMIAH ITGLKPGDFI HTLGDAHIYL NHIEPLKIQL CC QREPRPFPKL RILRKVEKID DFKAEDFQIE GYNPHPT CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLL CC ATOM MPPHGELQYLGQIQHILRCGVRKD-----GTLSVFGMQARYSLRDEFPLL CC ************************ ********************* CC SEQRES TTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFS CC ATOM TTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFS CC ************************************************** CC SEQRES TREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDD CC ATOM TREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDD CC ************************************************** CC SEQRES RRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVP CC ATOM RRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVP CC ************************************************** CC SEQRES FNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPR CC ATOM FNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPR CC ************************************************** CC SEQRES PFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAV CC ATOM PFPKLRILRKVEKIDDFKAEDFQIEGYNPHPT------- CC ******************************** SQ SEQUENCE 289 AA; MW; CN; MPPHGELQYL GQIQHILRCG VRKDDRTGTG TLSVFGMQAR YSLRDEFPLL TTKRVFWKGV LEELLWFIKG STNAKELSSK GVKIWDANGS RDFLDSLGFS TREEGDLGPV YGFQWRHFGA EYRDMESDYS GQGVDQLQRV IDTIKTNPDD RRIIMCAWNP RDLPLMALPP CHALCQFYVV NSELSCQLYQ RSGDMGLGVP FNIASYALLT YMIAHITGLK PGDFIHTLGD AHIYLNHIEP LKIQLQREPR PFPKLRILRK VEKIDDFKAE DFQIEGYNPH PTIKMEMAV //