ID 1KYZA STANDARD; PRT; 365 AA. DT CONVERTED FROM PDB (SEQRES) 1KYZ DE Caffeic acid 3-O-methyltransferase OS Medicago sativa CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.236 FT #SUB 14 14 ILE A 110 110 THR E Protein S 3 FT #SUB 16 16 ASP A 113 113 LYS E Protein S 5 FT #SUB 16 16 ASP A 114 114 TYR E Protein A 4 FT #SUB 16 16 ASP A 354 354 PHE E Protein B 2 FT #SUB 17 17 GLU A 190 190 LYS E Protein S 1 FT #SUB 17 17 GLU A 354 354 PHE E Protein B 2 FT #SUB 18 18 GLU A 6 6 GLU E Protein S 2 FT #SUB 18 18 GLU A 7 7 THR E Protein S 3 FT #SUB 19 19 ALA A 111 111 VAL E Protein A 3 FT #SUB 19 19 ALA A 114 114 TYR E Protein A 2 FT #SUB 20 20 ASN A 114 114 TYR E Protein A 8 FT #SUB 20 20 ASN A 354 354 PHE E Protein S 11 FT #SUB 21 21 LEU A 308 308 LEU E Protein S 2 FT #SUB 21 21 LEU A 309 309 ALA E Protein S 1 FT #SUB 21 21 LEU A 355 355 ASN E Protein S 2 FT #SUB 22 22 PHE A 7 7 THR E Protein S 4 FT #SUB 22 22 PHE A 87 87 TYR E Protein S 1 FT #SUB 22 22 PHE A 111 111 VAL E Protein S 3 FT #SUB 22 22 PHE A 308 308 LEU E Protein B 1 FT #SUB 23 23 ALA A 114 114 TYR E Protein S 1 FT #SUB 23 23 ALA A 115 115 LEU E Protein S 1 FT #SUB 23 23 ALA A 124 124 ILE E Protein A 4 FT #SUB 24 24 MET A 124 124 ILE E Protein S 2 FT #SUB 24 24 MET A 127 127 LEU E Protein S 2 FT #SUB 24 24 MET A 183 183 HIS E Protein S 3 FT #SUB 25 25 GLN A 8 8 GLN E Protein S 3 FT #SUB 25 25 GLN A 9 9 ILE E Protein S 11 FT #SUB 25 25 GLN A 308 308 LEU E Protein S 2 FT #SUB 25 25 GLN A 311 311 LYS E Protein S 1 FT #SUB 25 25 GLN A 315 315 HIS E Protein A 2 FT #SUB 26 26 LEU A 9 9 ILE E Protein S 1 FT #SUB 26 26 LEU A 32 32 LEU E Protein S 2 FT #SUB 26 26 LEU A 36 36 LEU E Protein S 1 FT #SUB 26 26 LEU A 89 89 ILE E Protein S 3 FT #SUB 26 26 LEU A 115 115 LEU E Protein S 1 FT #SUB 26 26 LEU A 128 128 ASN E Protein B 1 FT #SUB 27 27 ALA A 127 127 LEU E Protein A 3 FT #SUB 27 27 ALA A 128 128 ASN E Protein B 4 FT #SUB 27 27 ALA A 131 131 ASN E Protein B 4 FT #SUB 27 27 ALA A 132 132 GLN E Protein B 4 FT #SUB 28 28 SER A 131 131 ASN E Protein S 1 FT #SUB 28 28 SER A 132 132 GLN E Protein B 2 FT #SUB 28 28 SER A 315 315 HIS E Protein A 8 FT #SUB 28 28 SER A 319 319 ILE E Protein S 1 FT #SUB 29 29 ALA A 33 33 PRO E Protein A 4 FT #SUB 29 29 ALA A 132 132 GLN E Protein B 1 FT #SUB 30 30 SER A 33 33 PRO E Protein B 3 FT #SUB 30 30 SER A 132 132 GLN E Protein A 5 FT #SUB 30 30 SER A 137 137 MET E Protein S 3 FT #SUB 31 31 VAL A 140 140 TRP E Protein S 1 FT #SUB 31 31 VAL A 318 318 VAL E Protein S 1 FT #SUB 31 31 VAL A 319 319 ILE E Protein S 1 FT #SUB 32 32 LEU A 26 26 LEU E Protein S 1 FT #SUB 33 33 PRO A 29 29 ALA E Protein S 2 FT #SUB 33 33 PRO A 30 30 SER E Protein S 3 FT #SUB 34 34 MET A 140 140 TRP E Protein S 7 FT #SUB 34 34 MET A 141 141 TYR E Protein S 1 FT #SUB 35 35 ILE A 140 140 TRP E Protein S 1 FT #SUB 35 35 ILE A 143 143 LEU E Protein S 1 FT #SUB 35 35 ILE A 318 318 VAL E Protein S 2 FT #SUB 36 36 LEU A 26 26 LEU E Protein S 1 FT #SUB 37 37 LYS A 141 141 TYR E Protein S 1 FT #SUB 38 38 SER A 140 140 TRP E Protein S 1 FT #SUB 38 38 SER A 143 143 LEU E Protein S 3 FT #SUB 41 41 GLU A 144 144 LYS E Protein S 1 FT #SUB 42 42 LEU A 144 144 LYS E Protein S 3 FT #SUB 42 42 LEU A 148 148 LEU E Protein S 3 FT #SUB 66 66 LEU A 147 147 VAL E Protein S 1 FT #SUB 68 68 THR A 148 148 LEU E Protein S 7 FT #SUB 70 70 ASN A 146 146 ALA E Protein S 1 FT #SUB 70 70 ASN A 147 147 VAL E Protein S 4 FT #SUB 70 70 ASN A 150 150 GLY E Protein S 3 FT #SUB 76 76 MET A 146 146 ALA E Protein S 4 FT #SUB 76 76 MET A 321 321 LEU E Protein A 2 FT #SUB 79 79 ARG A 317 317 ASP E Protein S 15 FT #SUB 79 79 ARG A 318 318 VAL E Protein B 1 FT #SUB 79 79 ARG A 320 320 MET E Protein S 1 FT #SUB 79 79 ARG A 321 321 LEU E Protein S 4 FT #SUB 79 79 ARG A 327 327 GLY E Protein S 4 FT #SUB 79 79 ARG A 328 328 LYS E Protein S 3 FT #SUB 80 80 MET A 143 143 LEU E Protein S 1 FT #SUB 80 80 MET A 321 321 LEU E Protein S 1 FT #SUB 82 82 ARG A 300 300 LEU E Protein S 3 FT #SUB 82 82 ARG A 317 317 ASP E Protein S 2 FT #SUB 83 83 LEU A 314 314 VAL E Protein A 4 FT #SUB 83 83 LEU A 315 315 HIS E Protein S 1 FT #SUB 85 85 ALA A 304 304 PRO E Protein S 1 FT #SUB 86 86 CYS A 304 304 PRO E Protein S 1 FT #SUB 86 86 CYS A 305 305 ASP E Protein A 5 FT #SUB 86 86 CYS A 306 306 SER E Protein B 3 FT #SUB 86 86 CYS A 310 310 THR E Protein S 1 FT #SUB 86 86 CYS A 311 311 LYS E Protein B 2 FT #SUB 86 86 CYS A 314 314 VAL E Protein S 1 FT #SUB 87 87 TYR A 10 10 THR E Protein S 2 FT #SUB 87 87 TYR A 22 22 PHE E Protein B 1 FT #SUB 87 87 TYR A 311 311 LYS E Protein S 3 FT #SUB 87 87 TYR A 315 315 HIS E Protein S 5 FT #SUB 88 88 ILE A 12 12 THR E Protein S 3 FT #SUB 89 89 ILE A 26 26 LEU E Protein S 2 FT #SUB 92 92 CYS A 304 304 PRO E Protein S 2 FT #SUB 94 94 VAL A 302 302 VAL E Protein S 1 FT #SUB 94 94 VAL A 303 303 ALA E Protein S 2 FT #SUB 102 102 VAL A 302 302 VAL E Protein S 1 FT #SUB 104 104 ARG A 302 302 VAL E Protein S 2 FT #SUB 110 110 THR A 16 16 ASP E Protein S 10 FT #SUB 110 110 THR A 19 19 ALA E Protein S 1 FT #SUB 111 111 VAL A 19 19 ALA E Protein S 1 FT #SUB 111 111 VAL A 22 22 PHE E Protein S 6 FT #SUB 111 111 VAL A 23 23 ALA E Protein S 3 FT #SUB 114 114 TYR A 20 20 ASN E Protein S 8 FT #SUB 114 114 TYR A 23 23 ALA E Protein S 1 FT #SUB 124 124 ILE A 24 24 MET E Protein S 2 FT #SUB 124 124 ILE A 27 27 ALA E Protein S 1 FT #SUB 127 127 LEU A 24 24 MET E Protein S 2 FT #SUB 127 127 LEU A 27 27 ALA E Protein A 3 FT #SUB 128 128 ASN A 26 26 LEU E Protein S 2 FT #SUB 128 128 ASN A 27 27 ALA E Protein A 6 FT #SUB 131 131 ASN A 27 27 ALA E Protein S 4 FT #SUB 131 131 ASN A 28 28 SER E Protein S 2 FT #SUB 132 132 GLN A 27 27 ALA E Protein S 4 FT #SUB 132 132 GLN A 28 28 SER E Protein S 2 FT #SUB 132 132 GLN A 29 29 ALA E Protein S 1 FT #SUB 132 132 GLN A 30 30 SER E Protein S 7 FT #SUB 132 132 GLN A 141 141 TYR E Protein B 1 FT #SUB 134 134 LYS A 141 141 TYR E Protein A 9 FT #SUB 137 137 MET A 30 30 SER E Protein S 2 FT #SUB 137 137 MET A 137 137 MET E Protein S 1 FT #SUB 137 137 MET A 141 141 TYR E Protein S 2 FT #SUB 140 140 TRP A 34 34 MET E Protein S 6 FT #SUB 140 140 TRP A 35 35 ILE E Protein S 1 FT #SUB 140 140 TRP A 38 38 SER E Protein B 1 FT #SUB 141 141 TYR A 34 34 MET E Protein S 1 FT #SUB 141 141 TYR A 37 37 LYS E Protein S 2 FT #SUB 141 141 TYR A 132 132 GLN E Protein S 1 FT #SUB 141 141 TYR A 134 134 LYS E Protein S 13 FT #SUB 141 141 TYR A 137 137 MET E Protein S 2 FT #SUB 143 143 LEU A 35 35 ILE E Protein S 1 FT #SUB 143 143 LEU A 38 38 SER E Protein S 3 FT #SUB 143 143 LEU A 80 80 MET E Protein S 1 FT #SUB 144 144 LYS A 41 41 GLU E Protein S 2 FT #SUB 144 144 LYS A 42 42 LEU E Protein S 1 FT #SUB 146 146 ALA A 70 70 ASN E Protein B 1 FT #SUB 146 146 ALA A 76 76 MET E Protein B 2 FT #SUB 147 147 VAL A 42 42 LEU E Protein S 2 FT #SUB 147 147 VAL A 66 66 LEU E Protein S 1 FT #SUB 147 147 VAL A 70 70 ASN E Protein B 4 FT #SUB 147 147 VAL A 76 76 MET E Protein A 3 FT #SUB 148 148 LEU A 42 42 LEU E Protein S 2 FT #SUB 148 148 LEU A 68 68 THR E Protein A 7 FT #SUB 150 150 GLY A 70 70 ASN E Protein B 2 FT #SUB 183 183 HIS A 24 24 MET E Protein S 1 FT #SUB 300 300 LEU A 82 82 ARG E Protein S 3 FT #SUB 302 302 VAL A 94 94 VAL E Protein S 1 FT #SUB 302 302 VAL A 102 102 VAL E Protein S 1 FT #SUB 302 302 VAL A 104 104 ARG E Protein B 2 FT #SUB 303 303 ALA A 94 94 VAL E Protein A 2 FT #SUB 304 304 PRO A 82 82 ARG E Protein S 2 FT #SUB 304 304 PRO A 85 85 ALA E Protein S 1 FT #SUB 304 304 PRO A 86 86 CYS E Protein S 1 FT #SUB 304 304 PRO A 92 92 CYS E Protein S 3 FT #SUB 305 305 ASP A 86 86 CYS E Protein B 5 FT #SUB 306 306 SER A 86 86 CYS E Protein A 3 FT #SUB 306 306 SER A 88 88 ILE E Protein S 1 FT #SUB 308 308 LEU A 14 14 ILE E Protein S 1 FT #SUB 308 308 LEU A 21 21 LEU E Protein S 1 FT #SUB 308 308 LEU A 25 25 GLN E Protein S 3 FT #SUB 310 310 THR A 86 86 CYS E Protein S 1 FT #SUB 311 311 LYS A 25 25 GLN E Protein S 1 FT #SUB 311 311 LYS A 86 86 CYS E Protein S 3 FT #SUB 311 311 LYS A 87 87 TYR E Protein S 9 FT #SUB 314 314 VAL A 83 83 LEU E Protein S 4 FT #SUB 314 314 VAL A 86 86 CYS E Protein S 1 FT #SUB 315 315 HIS A 25 25 GLN E Protein S 2 FT #SUB 315 315 HIS A 28 28 SER E Protein S 9 FT #SUB 315 315 HIS A 83 83 LEU E Protein S 1 FT #SUB 315 315 HIS A 87 87 TYR E Protein S 5 FT #SUB 317 317 ASP A 79 79 ARG E Protein A 15 FT #SUB 317 317 ASP A 82 82 ARG E Protein S 3 FT #SUB 318 318 VAL A 31 31 VAL E Protein S 2 FT #SUB 318 318 VAL A 35 35 ILE E Protein S 2 FT #SUB 318 318 VAL A 79 79 ARG E Protein S 1 FT #SUB 319 319 ILE A 28 28 SER E Protein S 1 FT #SUB 319 319 ILE A 31 31 VAL E Protein S 1 FT #SUB 320 320 MET A 79 79 ARG E Protein S 1 FT #SUB 321 321 LEU A 76 76 MET E Protein S 1 FT #SUB 321 321 LEU A 79 79 ARG E Protein A 3 FT #SUB 321 321 LEU A 80 80 MET E Protein S 1 FT #SUB 327 327 GLY A 79 79 ARG E Protein B 3 FT #SUB 328 328 LYS A 79 79 ARG E Protein A 4 FT #SUB 354 354 PHE A 20 20 ASN E Protein S 11 FT #HET 131 131 ASN A 1 366 FER A S 1 FT #HET 136 136 LEU A 1 366 FER A S 2 FT #HET 162 162 ALA A 1 366 FER A S 1 FT #HET 166 166 HIS A 1 366 FER A S 1 FT #HET 176 176 PHE A 1 366 FER A S 10 FT #HET 184 184 SER A 2 1698 SAH A S 1 FT #HET 207 207 VAL A 2 1698 SAH A B 1 FT #HET 208 208 GLY A 2 1698 SAH A B 10 FT #HET 210 210 GLY A 2 1698 SAH A B 2 FT #HET 214 214 VAL A 2 1698 SAH A S 1 FT #HET 231 231 ASP A 2 1698 SAH A S 13 FT #HET 232 232 LEU A 2 1698 SAH A S 7 FT #HET 235 235 VAL A 2 1698 SAH A S 1 FT #HET 251 251 ASP A 2 1698 SAH A A 3 FT #HET 252 252 MET A 2 1698 SAH A A 14 FT #HET 253 253 PHE A 2 1698 SAH A S 2 FT #HET 264 264 MET A 2 1698 SAH A B 1 FT #HET 265 265 LYS A 2 1698 SAH A A 11 FT #HET 266 266 TRP A 2 1698 SAH A S 1 FT #HET 267 267 ILE A 2 1698 SAH A S 2 FT #HET 270 270 ASP A 1 366 FER A S 1 FT #HET 271 271 TRP A 2 1698 SAH A S 4 FT #HET 319 319 ILE A 1 366 FER A S 3 FT #HET 323 323 HIS A 1 366 FER A S 1 FT DISORDER 1 12 FT DISORDER 363 365 CC SEQUENCE 350 AA (ATOM); CC HISDEEANLF AMQLASASVL PMILKSALEL DLLEIIAKAG PGAQISPIEI ASQLPTTNPD CC APVMLDRMLR LLACYIILTC SVRTQQDGKV QRLYGLATVA KYLVKNEDGV SISALNLMNQ CC DKVLMESWYH LKDAVLDGGI PFNKAYGMTA FEYHGTDPRF NKVFNKGMSD HSTITMKKIL CC ETYTGFEGLK SLVDVGGGTG AVINTIVSKY PTIKGINFDL PHVIEDAPSY PGVEHVGGDM CC FVSIPKADAV FMKWICHDWS DEHCLKFLKN CYEALPDNGK VIVAECILPV APDSSLATKG CC VVHIDVIMLA HNPGGKERTQ KEFEDLAKGA GFQGFKVHCN AFNTYIMEFL CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGSTGETQITPTHISDEEANLFAMQLASASVLPMILKSALELDLLEIIAK CC ATOM ------------HISDEEANLFAMQLASASVLPMILKSALELDLLEIIAK CC ************************************** CC SEQRES AGPGAQISPIEIASQLPTTNPDAPVMLDRMLRLLACYIILTCSVRTQQDG CC ATOM AGPGAQISPIEIASQLPTTNPDAPVMLDRMLRLLACYIILTCSVRTQQDG CC ************************************************** CC SEQRES KVQRLYGLATVAKYLVKNEDGVSISALNLMNQDKVLMESWYHLKDAVLDG CC ATOM KVQRLYGLATVAKYLVKNEDGVSISALNLMNQDKVLMESWYHLKDAVLDG CC ************************************************** CC SEQRES GIPFNKAYGMTAFEYHGTDPRFNKVFNKGMSDHSTITMKKILETYTGFEG CC ATOM GIPFNKAYGMTAFEYHGTDPRFNKVFNKGMSDHSTITMKKILETYTGFEG CC ************************************************** CC SEQRES LKSLVDVGGGTGAVINTIVSKYPTIKGINFDLPHVIEDAPSYPGVEHVGG CC ATOM LKSLVDVGGGTGAVINTIVSKYPTIKGINFDLPHVIEDAPSYPGVEHVGG CC ************************************************** CC SEQRES DMFVSIPKADAVFMKWICHDWSDEHCLKFLKNCYEALPDNGKVIVAECIL CC ATOM DMFVSIPKADAVFMKWICHDWSDEHCLKFLKNCYEALPDNGKVIVAECIL CC ************************************************** CC SEQRES PVAPDSSLATKGVVHIDVIMLAHNPGGKERTQKEFEDLAKGAGFQGFKVH CC ATOM PVAPDSSLATKGVVHIDVIMLAHNPGGKERTQKEFEDLAKGAGFQGFKVH CC ************************************************** CC SEQRES CNAFNTYIMEFLKKV CC ATOM CNAFNTYIMEFL--- CC ************ SQ SEQUENCE 365 AA; MW; CN; MGSTGETQIT PTHISDEEAN LFAMQLASAS VLPMILKSAL ELDLLEIIAK AGPGAQISPI EIASQLPTTN PDAPVMLDRM LRLLACYIIL TCSVRTQQDG KVQRLYGLAT VAKYLVKNED GVSISALNLM NQDKVLMESW YHLKDAVLDG GIPFNKAYGM TAFEYHGTDP RFNKVFNKGM SDHSTITMKK ILETYTGFEG LKSLVDVGGG TGAVINTIVS KYPTIKGINF DLPHVIEDAP SYPGVEHVGG DMFVSIPKAD AVFMKWICHD WSDEHCLKFL KNCYEALPDN GKVIVAECIL PVAPDSSLAT KGVVHIDVIM LAHNPGGKER TQKEFEDLAK GAGFQGFKVH CNAFNTYIME FLKKV // ID 1KYZC STANDARD; PRT; 365 AA. DT CONVERTED FROM PDB (SEQRES) 1KYZ DE Caffeic acid 3-O-methyltransferase OS Medicago sativa CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.236 FT #SUB 148 148 LEU C 99 99 ASP E Protein B 1 FT #SUB 149 149 ASP C 99 99 ASP E Protein S 1 FT #HET 130 130 MET C 3 366 FER C S 3 FT #HET 131 131 ASN C 3 366 FER C S 4 FT #HET 136 136 LEU C 3 366 FER C S 1 FT #HET 162 162 ALA C 3 366 FER C S 2 FT #HET 163 163 PHE C 3 366 FER C S 1 FT #HET 166 166 HIS C 3 366 FER C S 2 FT #HET 176 176 PHE C 3 366 FER C S 1 FT #HET 208 208 GLY C 4 1699 SAH C B 9 FT #HET 231 231 ASP C 4 1699 SAH C S 12 FT #HET 232 232 LEU C 4 1699 SAH C S 15 FT #HET 235 235 VAL C 4 1699 SAH C S 3 FT #HET 251 251 ASP C 4 1699 SAH C A 6 FT #HET 252 252 MET C 4 1699 SAH C A 10 FT #HET 253 253 PHE C 4 1699 SAH C S 3 FT #HET 264 264 MET C 4 1699 SAH C B 1 FT #HET 265 265 LYS C 4 1699 SAH C A 10 FT #HET 266 266 TRP C 4 1699 SAH C S 3 FT #HET 267 267 ILE C 4 1699 SAH C S 3 FT #HET 271 271 TRP C 4 1699 SAH C S 5 FT #HET 316 316 ILE C 3 366 FER C S 1 FT #HET 320 320 MET C 3 366 FER C S 2 FT DISORDER 1 9 CC SEQUENCE 356 AA (ATOM); CC TPTHISDEEA NLFAMQLASA SVLPMILKSA LELDLLEIIA KAGPGAQISP IEIASQLPTT CC NPDAPVMLDR MLRLLACYII LTCSVRTQQD GKVQRLYGLA TVAKYLVKNE DGVSISALNL CC MNQDKVLMES WYHLKDAVLD GGIPFNKAYG MTAFEYHGTD PRFNKVFNKG MSDHSTITMK CC KILETYTGFE GLKSLVDVGG GTGAVINTIV SKYPTIKGIN FDLPHVIEDA PSYPGVEHVG CC GDMFVSIPKA DAVFMKWICH DWSDEHCLKF LKNCYEALPD NGKVIVAECI LPVAPDSSLA CC TKGVVHIDVI MLAHNPGGKE RTQKEFEDLA KGAGFQGFKV HCNAFNTYIM EFLKKV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGSTGETQITPTHISDEEANLFAMQLASASVLPMILKSALELDLLEIIAK CC ATOM ---------TPTHISDEEANLFAMQLASASVLPMILKSALELDLLEIIAK CC ***************************************** CC SEQRES AGPGAQISPIEIASQLPTTNPDAPVMLDRMLRLLACYIILTCSVRTQQDG CC ATOM AGPGAQISPIEIASQLPTTNPDAPVMLDRMLRLLACYIILTCSVRTQQDG CC ************************************************** CC SEQRES KVQRLYGLATVAKYLVKNEDGVSISALNLMNQDKVLMESWYHLKDAVLDG CC ATOM KVQRLYGLATVAKYLVKNEDGVSISALNLMNQDKVLMESWYHLKDAVLDG CC ************************************************** CC SEQRES GIPFNKAYGMTAFEYHGTDPRFNKVFNKGMSDHSTITMKKILETYTGFEG CC ATOM GIPFNKAYGMTAFEYHGTDPRFNKVFNKGMSDHSTITMKKILETYTGFEG CC ************************************************** CC SEQRES LKSLVDVGGGTGAVINTIVSKYPTIKGINFDLPHVIEDAPSYPGVEHVGG CC ATOM LKSLVDVGGGTGAVINTIVSKYPTIKGINFDLPHVIEDAPSYPGVEHVGG CC ************************************************** CC SEQRES DMFVSIPKADAVFMKWICHDWSDEHCLKFLKNCYEALPDNGKVIVAECIL CC ATOM DMFVSIPKADAVFMKWICHDWSDEHCLKFLKNCYEALPDNGKVIVAECIL CC ************************************************** CC SEQRES PVAPDSSLATKGVVHIDVIMLAHNPGGKERTQKEFEDLAKGAGFQGFKVH CC ATOM PVAPDSSLATKGVVHIDVIMLAHNPGGKERTQKEFEDLAKGAGFQGFKVH CC ************************************************** CC SEQRES CNAFNTYIMEFLKKV CC ATOM CNAFNTYIMEFLKKV CC *************** SQ SEQUENCE 365 AA; MW; CN; MGSTGETQIT PTHISDEEAN LFAMQLASAS VLPMILKSAL ELDLLEIIAK AGPGAQISPI EIASQLPTTN PDAPVMLDRM LRLLACYIIL TCSVRTQQDG KVQRLYGLAT VAKYLVKNED GVSISALNLM NQDKVLMESW YHLKDAVLDG GIPFNKAYGM TAFEYHGTDP RFNKVFNKGM SDHSTITMKK ILETYTGFEG LKSLVDVGGG TGAVINTIVS KYPTIKGINF DLPHVIEDAP SYPGVEHVGG DMFVSIPKAD AVFMKWICHD WSDEHCLKFL KNCYEALPDN GKVIVAECIL PVAPDSSLAT KGVVHIDVIM LAHNPGGKER TQKEFEDLAK GAGFQGFKVH CNAFNTYIME FLKKV // ID 1KYZE STANDARD; PRT; 365 AA. DT CONVERTED FROM PDB (SEQRES) 1KYZ DE Caffeic acid 3-O-methyltransferase OS Medicago sativa CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.236 FT #SUB 6 6 GLU E 18 18 GLU A Protein A 2 FT #SUB 7 7 THR E 18 18 GLU A Protein A 3 FT #SUB 7 7 THR E 22 22 PHE A Protein A 4 FT #SUB 8 8 GLN E 25 25 GLN A Protein A 3 FT #SUB 9 9 ILE E 25 25 GLN A Protein A 11 FT #SUB 9 9 ILE E 26 26 LEU A Protein S 1 FT #SUB 10 10 THR E 87 87 TYR A Protein S 2 FT #SUB 12 12 THR E 88 88 ILE A Protein B 3 FT #SUB 14 14 ILE E 308 308 LEU A Protein S 1 FT #SUB 16 16 ASP E 110 110 THR A Protein A 10 FT #SUB 19 19 ALA E 110 110 THR A Protein S 1 FT #SUB 19 19 ALA E 111 111 VAL A Protein B 1 FT #SUB 20 20 ASN E 114 114 TYR A Protein A 8 FT #SUB 20 20 ASN E 354 354 PHE A Protein S 11 FT #SUB 21 21 LEU E 308 308 LEU A Protein S 1 FT #SUB 22 22 PHE E 87 87 TYR A Protein S 1 FT #SUB 22 22 PHE E 111 111 VAL A Protein S 6 FT #SUB 23 23 ALA E 111 111 VAL A Protein A 3 FT #SUB 23 23 ALA E 114 114 TYR A Protein S 1 FT #SUB 24 24 MET E 124 124 ILE A Protein S 2 FT #SUB 24 24 MET E 127 127 LEU A Protein S 2 FT #SUB 24 24 MET E 183 183 HIS A Protein S 1 FT #SUB 25 25 GLN E 308 308 LEU A Protein S 3 FT #SUB 25 25 GLN E 311 311 LYS A Protein S 1 FT #SUB 25 25 GLN E 315 315 HIS A Protein B 2 FT #SUB 26 26 LEU E 32 32 LEU A Protein S 1 FT #SUB 26 26 LEU E 36 36 LEU A Protein S 1 FT #SUB 26 26 LEU E 89 89 ILE A Protein S 2 FT #SUB 26 26 LEU E 128 128 ASN A Protein B 2 FT #SUB 27 27 ALA E 124 124 ILE A Protein S 1 FT #SUB 27 27 ALA E 127 127 LEU A Protein A 3 FT #SUB 27 27 ALA E 128 128 ASN A Protein A 6 FT #SUB 27 27 ALA E 131 131 ASN A Protein B 4 FT #SUB 27 27 ALA E 132 132 GLN A Protein B 4 FT #SUB 28 28 SER E 131 131 ASN A Protein A 2 FT #SUB 28 28 SER E 132 132 GLN A Protein B 2 FT #SUB 28 28 SER E 315 315 HIS A Protein A 9 FT #SUB 28 28 SER E 319 319 ILE A Protein S 1 FT #SUB 29 29 ALA E 33 33 PRO A Protein A 2 FT #SUB 29 29 ALA E 132 132 GLN A Protein B 1 FT #SUB 30 30 SER E 33 33 PRO A Protein B 3 FT #SUB 30 30 SER E 132 132 GLN A Protein A 7 FT #SUB 30 30 SER E 137 137 MET A Protein S 2 FT #SUB 31 31 VAL E 318 318 VAL A Protein S 2 FT #SUB 31 31 VAL E 319 319 ILE A Protein S 1 FT #SUB 32 32 LEU E 26 26 LEU A Protein S 2 FT #SUB 33 33 PRO E 29 29 ALA A Protein S 4 FT #SUB 33 33 PRO E 30 30 SER A Protein S 3 FT #SUB 34 34 MET E 140 140 TRP A Protein S 6 FT #SUB 34 34 MET E 141 141 TYR A Protein S 1 FT #SUB 35 35 ILE E 140 140 TRP A Protein S 1 FT #SUB 35 35 ILE E 143 143 LEU A Protein S 1 FT #SUB 35 35 ILE E 318 318 VAL A Protein S 2 FT #SUB 36 36 LEU E 26 26 LEU A Protein S 1 FT #SUB 37 37 LYS E 141 141 TYR A Protein S 2 FT #SUB 38 38 SER E 140 140 TRP A Protein S 1 FT #SUB 38 38 SER E 143 143 LEU A Protein S 3 FT #SUB 41 41 GLU E 144 144 LYS A Protein S 2 FT #SUB 42 42 LEU E 144 144 LYS A Protein S 1 FT #SUB 42 42 LEU E 147 147 VAL A Protein S 2 FT #SUB 42 42 LEU E 148 148 LEU A Protein S 2 FT #SUB 66 66 LEU E 147 147 VAL A Protein S 1 FT #SUB 68 68 THR E 148 148 LEU A Protein S 7 FT #SUB 70 70 ASN E 146 146 ALA A Protein S 1 FT #SUB 70 70 ASN E 147 147 VAL A Protein S 4 FT #SUB 70 70 ASN E 150 150 GLY A Protein S 2 FT #SUB 76 76 MET E 146 146 ALA A Protein S 2 FT #SUB 76 76 MET E 147 147 VAL A Protein S 3 FT #SUB 76 76 MET E 321 321 LEU A Protein S 1 FT #SUB 79 79 ARG E 317 317 ASP A Protein S 15 FT #SUB 79 79 ARG E 318 318 VAL A Protein B 1 FT #SUB 79 79 ARG E 320 320 MET A Protein S 1 FT #SUB 79 79 ARG E 321 321 LEU A Protein S 3 FT #SUB 79 79 ARG E 327 327 GLY A Protein S 3 FT #SUB 79 79 ARG E 328 328 LYS A Protein S 4 FT #SUB 80 80 MET E 143 143 LEU A Protein S 1 FT #SUB 80 80 MET E 321 321 LEU A Protein S 1 FT #SUB 82 82 ARG E 300 300 LEU A Protein S 3 FT #SUB 82 82 ARG E 304 304 PRO A Protein A 2 FT #SUB 82 82 ARG E 317 317 ASP A Protein S 3 FT #SUB 83 83 LEU E 314 314 VAL A Protein A 4 FT #SUB 83 83 LEU E 315 315 HIS A Protein S 1 FT #SUB 85 85 ALA E 304 304 PRO A Protein S 1 FT #SUB 86 86 CYS E 304 304 PRO A Protein S 1 FT #SUB 86 86 CYS E 305 305 ASP A Protein A 5 FT #SUB 86 86 CYS E 306 306 SER A Protein B 3 FT #SUB 86 86 CYS E 310 310 THR A Protein S 1 FT #SUB 86 86 CYS E 311 311 LYS A Protein B 3 FT #SUB 86 86 CYS E 314 314 VAL A Protein S 1 FT #SUB 87 87 TYR E 22 22 PHE A Protein B 1 FT #SUB 87 87 TYR E 311 311 LYS A Protein S 9 FT #SUB 87 87 TYR E 315 315 HIS A Protein S 5 FT #SUB 88 88 ILE E 306 306 SER A Protein S 1 FT #SUB 89 89 ILE E 26 26 LEU A Protein S 3 FT #SUB 92 92 CYS E 304 304 PRO A Protein S 3 FT #SUB 94 94 VAL E 302 302 VAL A Protein S 1 FT #SUB 94 94 VAL E 303 303 ALA A Protein S 2 FT #SUB 102 102 VAL E 302 302 VAL A Protein S 1 FT #SUB 104 104 ARG E 302 302 VAL A Protein S 2 FT #SUB 110 110 THR E 14 14 ILE A Protein S 3 FT #SUB 111 111 VAL E 19 19 ALA A Protein B 3 FT #SUB 111 111 VAL E 22 22 PHE A Protein A 3 FT #SUB 113 113 LYS E 16 16 ASP A Protein S 5 FT #SUB 114 114 TYR E 16 16 ASP A Protein S 4 FT #SUB 114 114 TYR E 19 19 ALA A Protein S 2 FT #SUB 114 114 TYR E 20 20 ASN A Protein S 8 FT #SUB 114 114 TYR E 23 23 ALA A Protein S 1 FT #SUB 115 115 LEU E 23 23 ALA A Protein S 1 FT #SUB 115 115 LEU E 26 26 LEU A Protein S 1 FT #SUB 124 124 ILE E 23 23 ALA A Protein S 4 FT #SUB 124 124 ILE E 24 24 MET A Protein S 2 FT #SUB 127 127 LEU E 24 24 MET A Protein S 2 FT #SUB 127 127 LEU E 27 27 ALA A Protein A 3 FT #SUB 128 128 ASN E 26 26 LEU A Protein S 1 FT #SUB 128 128 ASN E 27 27 ALA A Protein A 4 FT #SUB 131 131 ASN E 27 27 ALA A Protein S 4 FT #SUB 131 131 ASN E 28 28 SER A Protein S 1 FT #SUB 132 132 GLN E 27 27 ALA A Protein S 4 FT #SUB 132 132 GLN E 28 28 SER A Protein S 2 FT #SUB 132 132 GLN E 29 29 ALA A Protein S 1 FT #SUB 132 132 GLN E 30 30 SER A Protein S 5 FT #SUB 132 132 GLN E 141 141 TYR A Protein B 1 FT #SUB 134 134 LYS E 141 141 TYR A Protein A 13 FT #SUB 137 137 MET E 30 30 SER A Protein S 3 FT #SUB 137 137 MET E 137 137 MET A Protein S 1 FT #SUB 137 137 MET E 141 141 TYR A Protein S 2 FT #SUB 140 140 TRP E 31 31 VAL A Protein S 1 FT #SUB 140 140 TRP E 34 34 MET A Protein S 7 FT #SUB 140 140 TRP E 35 35 ILE A Protein S 1 FT #SUB 140 140 TRP E 38 38 SER A Protein B 1 FT #SUB 141 141 TYR E 34 34 MET A Protein S 1 FT #SUB 141 141 TYR E 37 37 LYS A Protein S 1 FT #SUB 141 141 TYR E 132 132 GLN A Protein S 1 FT #SUB 141 141 TYR E 134 134 LYS A Protein S 9 FT #SUB 141 141 TYR E 137 137 MET A Protein S 2 FT #SUB 143 143 LEU E 35 35 ILE A Protein S 1 FT #SUB 143 143 LEU E 38 38 SER A Protein S 3 FT #SUB 143 143 LEU E 80 80 MET A Protein S 1 FT #SUB 144 144 LYS E 41 41 GLU A Protein S 1 FT #SUB 144 144 LYS E 42 42 LEU A Protein A 3 FT #SUB 146 146 ALA E 70 70 ASN A Protein B 1 FT #SUB 146 146 ALA E 76 76 MET A Protein A 4 FT #SUB 147 147 VAL E 66 66 LEU A Protein S 1 FT #SUB 147 147 VAL E 70 70 ASN A Protein B 4 FT #SUB 148 148 LEU E 42 42 LEU A Protein S 3 FT #SUB 148 148 LEU E 68 68 THR A Protein A 7 FT #SUB 150 150 GLY E 70 70 ASN A Protein B 3 FT #SUB 183 183 HIS E 24 24 MET A Protein S 3 FT #SUB 190 190 LYS E 17 17 GLU A Protein S 1 FT #SUB 300 300 LEU E 82 82 ARG A Protein S 3 FT #SUB 302 302 VAL E 94 94 VAL A Protein S 1 FT #SUB 302 302 VAL E 102 102 VAL A Protein S 1 FT #SUB 302 302 VAL E 104 104 ARG A Protein B 2 FT #SUB 303 303 ALA E 94 94 VAL A Protein A 2 FT #SUB 304 304 PRO E 85 85 ALA A Protein S 1 FT #SUB 304 304 PRO E 86 86 CYS A Protein S 1 FT #SUB 304 304 PRO E 92 92 CYS A Protein S 2 FT #SUB 305 305 ASP E 86 86 CYS A Protein B 5 FT #SUB 306 306 SER E 86 86 CYS A Protein A 3 FT #SUB 308 308 LEU E 21 21 LEU A Protein S 2 FT #SUB 308 308 LEU E 22 22 PHE A Protein S 1 FT #SUB 308 308 LEU E 25 25 GLN A Protein S 2 FT #SUB 309 309 ALA E 21 21 LEU A Protein B 1 FT #SUB 310 310 THR E 86 86 CYS A Protein S 1 FT #SUB 311 311 LYS E 25 25 GLN A Protein S 1 FT #SUB 311 311 LYS E 86 86 CYS A Protein S 2 FT #SUB 311 311 LYS E 87 87 TYR A Protein S 3 FT #SUB 314 314 VAL E 83 83 LEU A Protein S 4 FT #SUB 314 314 VAL E 86 86 CYS A Protein S 1 FT #SUB 315 315 HIS E 25 25 GLN A Protein S 2 FT #SUB 315 315 HIS E 28 28 SER A Protein S 8 FT #SUB 315 315 HIS E 83 83 LEU A Protein S 1 FT #SUB 315 315 HIS E 87 87 TYR A Protein S 5 FT #SUB 317 317 ASP E 79 79 ARG A Protein A 15 FT #SUB 317 317 ASP E 82 82 ARG A Protein S 2 FT #SUB 318 318 VAL E 31 31 VAL A Protein S 1 FT #SUB 318 318 VAL E 35 35 ILE A Protein S 2 FT #SUB 318 318 VAL E 79 79 ARG A Protein S 1 FT #SUB 319 319 ILE E 28 28 SER A Protein S 1 FT #SUB 319 319 ILE E 31 31 VAL A Protein S 1 FT #SUB 320 320 MET E 79 79 ARG A Protein S 1 FT #SUB 321 321 LEU E 76 76 MET A Protein S 2 FT #SUB 321 321 LEU E 79 79 ARG A Protein A 4 FT #SUB 321 321 LEU E 80 80 MET A Protein S 1 FT #SUB 327 327 GLY E 79 79 ARG A Protein B 4 FT #SUB 328 328 LYS E 79 79 ARG A Protein A 3 FT #SUB 354 354 PHE E 16 16 ASP A Protein S 2 FT #SUB 354 354 PHE E 17 17 GLU A Protein S 2 FT #SUB 354 354 PHE E 20 20 ASN A Protein S 11 FT #SUB 355 355 ASN E 21 21 LEU A Protein S 2 FT #SUB 99 99 ASP E 148 148 LEU C Protein S 1 FT #SUB 99 99 ASP E 149 149 ASP C Protein S 1 FT #HET 130 130 MET E 6 1698 FER E S 3 FT #HET 131 131 ASN E 6 1698 FER E S 3 FT #HET 136 136 LEU E 6 1698 FER E S 1 FT #HET 162 162 ALA E 6 1698 FER E S 2 FT #HET 166 166 HIS E 6 1698 FER E S 2 FT #HET 172 172 PHE E 6 1698 FER E S 2 FT #HET 176 176 PHE E 6 1698 FER E S 2 FT #HET 184 184 SER E 5 1697 SAH E S 2 FT #HET 208 208 GLY E 5 1697 SAH E B 9 FT #HET 231 231 ASP E 5 1697 SAH E A 16 FT #HET 232 232 LEU E 5 1697 SAH E A 12 FT #HET 235 235 VAL E 5 1697 SAH E S 1 FT #HET 251 251 ASP E 5 1697 SAH E A 5 FT #HET 252 252 MET E 5 1697 SAH E A 12 FT #HET 253 253 PHE E 5 1697 SAH E S 2 FT #HET 264 264 MET E 5 1697 SAH E B 1 FT #HET 265 265 LYS E 5 1697 SAH E A 13 FT #HET 266 266 TRP E 5 1697 SAH E S 3 FT #HET 267 267 ILE E 5 1697 SAH E S 1 FT #HET 270 270 ASP E 6 1698 FER E S 2 FT #HET 271 271 TRP E 5 1697 SAH E S 4 FT #HET 316 316 ILE E 6 1698 FER E S 1 FT #HET 319 319 ILE E 6 1698 FER E S 1 FT #HET 320 320 MET E 6 1698 FER E S 4 FT DISORDER 1 4 CC SEQUENCE 361 AA (ATOM); CC GETQITPTHI SDEEANLFAM QLASASVLPM ILKSALELDL LEIIAKAGPG AQISPIEIAS CC QLPTTNPDAP VMLDRMLRLL ACYIILTCSV RTQQDGKVQR LYGLATVAKY LVKNEDGVSI CC SALNLMNQDK VLMESWYHLK DAVLDGGIPF NKAYGMTAFE YHGTDPRFNK VFNKGMSDHS CC TITMKKILET YTGFEGLKSL VDVGGGTGAV INTIVSKYPT IKGINFDLPH VIEDAPSYPG CC VEHVGGDMFV SIPKADAVFM KWICHDWSDE HCLKFLKNCY EALPDNGKVI VAECILPVAP CC DSSLATKGVV HIDVIMLAHN PGGKERTQKE FEDLAKGAGF QGFKVHCNAF NTYIMEFLKK CC V CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGSTGETQITPTHISDEEANLFAMQLASASVLPMILKSALELDLLEIIAK CC ATOM ----GETQITPTHISDEEANLFAMQLASASVLPMILKSALELDLLEIIAK CC ********************************************** CC SEQRES AGPGAQISPIEIASQLPTTNPDAPVMLDRMLRLLACYIILTCSVRTQQDG CC ATOM AGPGAQISPIEIASQLPTTNPDAPVMLDRMLRLLACYIILTCSVRTQQDG CC ************************************************** CC SEQRES KVQRLYGLATVAKYLVKNEDGVSISALNLMNQDKVLMESWYHLKDAVLDG CC ATOM KVQRLYGLATVAKYLVKNEDGVSISALNLMNQDKVLMESWYHLKDAVLDG CC ************************************************** CC SEQRES GIPFNKAYGMTAFEYHGTDPRFNKVFNKGMSDHSTITMKKILETYTGFEG CC ATOM GIPFNKAYGMTAFEYHGTDPRFNKVFNKGMSDHSTITMKKILETYTGFEG CC ************************************************** CC SEQRES LKSLVDVGGGTGAVINTIVSKYPTIKGINFDLPHVIEDAPSYPGVEHVGG CC ATOM LKSLVDVGGGTGAVINTIVSKYPTIKGINFDLPHVIEDAPSYPGVEHVGG CC ************************************************** CC SEQRES DMFVSIPKADAVFMKWICHDWSDEHCLKFLKNCYEALPDNGKVIVAECIL CC ATOM DMFVSIPKADAVFMKWICHDWSDEHCLKFLKNCYEALPDNGKVIVAECIL CC ************************************************** CC SEQRES PVAPDSSLATKGVVHIDVIMLAHNPGGKERTQKEFEDLAKGAGFQGFKVH CC ATOM PVAPDSSLATKGVVHIDVIMLAHNPGGKERTQKEFEDLAKGAGFQGFKVH CC ************************************************** CC SEQRES CNAFNTYIMEFLKKV CC ATOM CNAFNTYIMEFLKKV CC *************** SQ SEQUENCE 365 AA; MW; CN; MGSTGETQIT PTHISDEEAN LFAMQLASAS VLPMILKSAL ELDLLEIIAK AGPGAQISPI EIASQLPTTN PDAPVMLDRM LRLLACYIIL TCSVRTQQDG KVQRLYGLAT VAKYLVKNED GVSISALNLM NQDKVLMESW YHLKDAVLDG GIPFNKAYGM TAFEYHGTDP RFNKVFNKGM SDHSTITMKK ILETYTGFEG LKSLVDVGGG TGAVINTIVS KYPTIKGINF DLPHVIEDAP SYPGVEHVGG DMFVSIPKAD AVFMKWICHD WSDEHCLKFL KNCYEALPDN GKVIVAECIL PVAPDSSLAT KGVVHIDVIM LAHNPGGKER TQKEFEDLAK GAGFQGFKVH CNAFNTYIME FLKKV //