ID 3TIKA STANDARD; PRT; 454 AA. DT CONVERTED FROM PDB (SEQRES) 3TIK DE sterol 14-alpha demethylase (CYP51) OS Trypanosoma brucei CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.050 CC R-Factor 0.189 FT #SUB 1 28 LYS A 159 186 GLU B Protein B 1 FT #SUB 3 30 LYS A 154 181 GLN B Protein S 6 FT #SUB 3 30 LYS A 157 184 PHE B Protein S 3 FT #SUB 4 31 LEU A 114 141 ASN B Protein B 1 FT #SUB 4 31 LEU A 117 144 PRO B Protein S 3 FT #SUB 4 31 LEU A 118 145 ALA B Protein S 2 FT #SUB 5 32 PRO A 114 141 ASN B Protein B 3 FT #SUB 6 33 PRO A 114 141 ASN B Protein B 3 FT #SUB 7 34 VAL A 113 140 GLN B Protein S 2 FT #SUB 7 34 VAL A 114 141 ASN B Protein A 7 FT #SUB 9 36 PRO A 113 140 GLN B Protein A 2 FT #SUB 10 37 VAL A 306 333 ASN B Protein A 8 FT #SUB 13 40 PRO A 311 338 GLU B Protein B 1 FT #SUB 44 71 ASN A 304 331 ASN B Protein S 1 FT #SUB 47 74 GLY A 300 327 PRO B Protein B 3 FT #SUB 49 76 ARG A 117 144 PRO B Protein S 2 FT #SUB 49 76 ARG A 302 329 GLN B Protein A 8 FT #SUB 339 366 ASP A 121 148 HIS B Protein S 6 FT #SUB 348 375 PRO A 121 148 HIS B Protein S 2 FT #SUB 350 377 GLY A 302 329 GLN B Protein B 3 FT #SUB 351 378 ASP A 302 329 GLN B Protein A 4 FT #SUB 15 42 LEU A 190 217 ILE D Protein S 1 FT #SUB 15 42 LEU A 194 221 LEU D Protein S 1 FT #SUB 18 45 ILE A 194 221 LEU D Protein S 1 FT #SUB 18 45 ILE A 195 222 PRO D Protein S 2 FT #SUB 46 73 VAL A 190 217 ILE D Protein S 1 FT #SUB 179 206 SER A 179 206 SER D Protein A 4 FT #SUB 179 206 SER A 198 225 GLN D Protein B 1 FT #SUB 179 206 SER A 201 228 ARG D Protein B 4 FT #SUB 181 208 LEU A 197 224 PRO D Protein B 1 FT #SUB 181 208 LEU A 198 225 GLN D Protein B 3 FT #SUB 182 209 ILE A 182 209 ILE D Protein S 1 FT #SUB 182 209 ILE A 196 223 LEU D Protein S 1 FT #SUB 182 209 ILE A 198 225 GLN D Protein S 1 FT #SUB 183 210 PRO A 197 224 PRO D Protein S 3 FT #SUB 188 215 LEU A 194 221 LEU D Protein S 1 FT #SUB 190 217 ILE A 14 41 ILE D Protein S 2 FT #SUB 190 217 ILE A 15 42 LEU D Protein S 2 FT #SUB 190 217 ILE A 46 73 VAL D Protein S 1 FT #SUB 191 218 LEU A 191 218 LEU D Protein S 1 FT #SUB 194 221 LEU A 15 42 LEU D Protein S 1 FT #SUB 194 221 LEU A 188 215 LEU D Protein S 1 FT #SUB 195 222 PRO A 19 46 ILE D Protein S 2 FT #SUB 196 223 LEU A 184 211 ALA D Protein S 1 FT #SUB 197 224 PRO A 183 210 PRO D Protein S 1 FT #SUB 198 225 GLN A 179 206 SER D Protein S 1 FT #SUB 198 225 GLN A 181 208 LEU D Protein S 4 FT #SUB 198 225 GLN A 182 209 ILE D Protein S 1 FT #SUB 201 228 ARG A 179 206 SER D Protein S 6 FT #SUB 433 460 MET A 197 224 PRO D Protein S 2 FT #HET 76 103 TYR A 1 482 HEM A S 4 FT #HET 76 103 TYR A 2 490 JKF A S 9 FT #HET 78 105 PHE A 2 490 JKF A S 2 FT #HET 79 106 MET A 2 490 JKF A S 5 FT #HET 83 110 PHE A 2 490 JKF A S 2 FT #HET 88 115 ALA A 2 490 JKF A S 1 FT #HET 89 116 TYR A 1 482 HEM A S 5 FT #HET 89 116 TYR A 2 490 JKF A S 3 FT #HET 97 124 ARG A 1 482 HEM A S 4 FT #HET 100 127 LEU A 1 482 HEM A S 4 FT #HET 107 134 LEU A 1 482 HEM A S 2 FT #HET 181 208 LEU A 2 490 JKF A S 1 FT #HET 261 288 ALA A 1 482 HEM A A 4 FT #HET 263 290 PHE A 2 490 JKF A S 4 FT #HET 264 291 ALA A 1 482 HEM A S 7 FT #HET 264 291 ALA A 2 490 JKF A A 18 FT #HET 265 292 GLY A 1 482 HEM A B 3 FT #HET 268 295 THR A 1 482 HEM A A 12 FT #HET 268 295 THR A 2 490 JKF A S 1 FT #HET 269 296 SER A 1 482 HEM A A 3 FT #HET 272 299 THR A 1 482 HEM A S 1 FT #HET 329 356 LEU A 1 482 HEM A S 2 FT #HET 329 356 LEU A 2 490 JKF A S 5 FT #HET 331 358 MET A 2 490 JKF A B 1 FT #HET 332 359 LEU A 1 482 HEM A S 2 FT #HET 334 361 ARG A 1 482 HEM A S 8 FT #HET 387 414 GLY A 1 482 HEM A B 4 FT #HET 388 415 PHE A 1 482 HEM A A 13 FT #HET 389 416 GLY A 1 482 HEM A B 1 FT #HET 392 419 VAL A 1 482 HEM A B 1 FT #HET 393 420 HIS A 1 482 HEM A A 19 FT #HET 394 421 LYS A 1 482 HEM A B 1 FT #HET 395 422 CYS A 1 482 HEM A A 24 FT #HET 396 423 ILE A 1 482 HEM A A 7 FT #HET 397 424 GLY A 1 482 HEM A B 14 FT #HET 433 460 MET A 2 490 JKF A S 5 FT #HET 434 461 VAL A 2 490 JKF A S 3 FT DISORDER 451 454 CC SEQUENCE 450 AA (ATOM); CC KGKLPPVYPV TVPILGHIIQ FGKSPLGFMQ ECKRQLKSGI FTINIVGKRV TIVGDPHEHS CC RFFLPRNEVL SPREVYSFMV PVFGEGVAYA APYPRMREQL NFLAEELTIA KFQNFVPAIQ CC HEVRKFMAAN WDKDEGEINL LEDCSTMIIN TACQCLFGED LRKRLDARRF AQLLAKMESS CC LIPAAVFLPI LLKLPLPQSA RCHEARTELQ KILSEIIIAR KEEEVNKDSS TSDLLSGLLS CC AVYRDGTPMS LHEVCGMIVA AMFAGQHTSS ITTTWSMLHL MHPANVKHLE ALRKEIEEFP CC AQLNYNNVMD EMPFAERCAR ESIRRDPPLL MLMRKVMADV KVGSYVVPKG DIIACSPLLS CC HHDEEAFPEP RRWDPERDEK VEGAFIGFGA GVHKCIGQKF GLLQVKTILA TAFRSYDFQL CC LRDEVPDPDY HTMVVGPTAS QCRVKYIRRK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES KGKLPPVYPVTVPILGHIIQFGKSPLGFMQECKRQLKSGIFTINIVGKRV CC ATOM KGKLPPVYPVTVPILGHIIQFGKSPLGFMQECKRQLKSGIFTINIVGKRV CC ************************************************** CC SEQRES TIVGDPHEHSRFFLPRNEVLSPREVYSFMVPVFGEGVAYAAPYPRMREQL CC ATOM TIVGDPHEHSRFFLPRNEVLSPREVYSFMVPVFGEGVAYAAPYPRMREQL CC ************************************************** CC SEQRES NFLAEELTIAKFQNFVPAIQHEVRKFMAANWDKDEGEINLLEDCSTMIIN CC ATOM NFLAEELTIAKFQNFVPAIQHEVRKFMAANWDKDEGEINLLEDCSTMIIN CC ************************************************** CC SEQRES TACQCLFGEDLRKRLDARRFAQLLAKMESSLIPAAVFLPILLKLPLPQSA CC ATOM TACQCLFGEDLRKRLDARRFAQLLAKMESSLIPAAVFLPILLKLPLPQSA CC ************************************************** CC SEQRES RCHEARTELQKILSEIIIARKEEEVNKDSSTSDLLSGLLSAVYRDGTPMS CC ATOM RCHEARTELQKILSEIIIARKEEEVNKDSSTSDLLSGLLSAVYRDGTPMS CC ************************************************** CC SEQRES LHEVCGMIVAAMFAGQHTSSITTTWSMLHLMHPANVKHLEALRKEIEEFP CC ATOM LHEVCGMIVAAMFAGQHTSSITTTWSMLHLMHPANVKHLEALRKEIEEFP CC ************************************************** CC SEQRES AQLNYNNVMDEMPFAERCARESIRRDPPLLMLMRKVMADVKVGSYVVPKG CC ATOM AQLNYNNVMDEMPFAERCARESIRRDPPLLMLMRKVMADVKVGSYVVPKG CC ************************************************** CC SEQRES DIIACSPLLSHHDEEAFPEPRRWDPERDEKVEGAFIGFGAGVHKCIGQKF CC ATOM DIIACSPLLSHHDEEAFPEPRRWDPERDEKVEGAFIGFGAGVHKCIGQKF CC ************************************************** CC SEQRES GLLQVKTILATAFRSYDFQLLRDEVPDPDYHTMVVGPTASQCRVKYIRRK CC ATOM GLLQVKTILATAFRSYDFQLLRDEVPDPDYHTMVVGPTASQCRVKYIRRK CC ************************************************** CC SEQRES AAAA CC ATOM ---- CC SQ SEQUENCE 454 AA; MW; CN; KGKLPPVYPV TVPILGHIIQ FGKSPLGFMQ ECKRQLKSGI FTINIVGKRV TIVGDPHEHS RFFLPRNEVL SPREVYSFMV PVFGEGVAYA APYPRMREQL NFLAEELTIA KFQNFVPAIQ HEVRKFMAAN WDKDEGEINL LEDCSTMIIN TACQCLFGED LRKRLDARRF AQLLAKMESS LIPAAVFLPI LLKLPLPQSA RCHEARTELQ KILSEIIIAR KEEEVNKDSS TSDLLSGLLS AVYRDGTPMS LHEVCGMIVA AMFAGQHTSS ITTTWSMLHL MHPANVKHLE ALRKEIEEFP AQLNYNNVMD EMPFAERCAR ESIRRDPPLL MLMRKVMADV KVGSYVVPKG DIIACSPLLS HHDEEAFPEP RRWDPERDEK VEGAFIGFGA GVHKCIGQKF GLLQVKTILA TAFRSYDFQL LRDEVPDPDY HTMVVGPTAS QCRVKYIRRK AAAA // ID 3TIKB STANDARD; PRT; 454 AA. DT CONVERTED FROM PDB (SEQRES) 3TIK DE sterol 14-alpha demethylase (CYP51) OS Trypanosoma brucei CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.050 CC R-Factor 0.189 FT #SUB 113 140 GLN B 7 34 VAL A Protein B 2 FT #SUB 113 140 GLN B 9 36 PRO A Protein S 2 FT #SUB 114 141 ASN B 4 31 LEU A Protein S 1 FT #SUB 114 141 ASN B 5 32 PRO A Protein S 3 FT #SUB 114 141 ASN B 6 33 PRO A Protein S 3 FT #SUB 114 141 ASN B 7 34 VAL A Protein S 7 FT #SUB 117 144 PRO B 4 31 LEU A Protein A 3 FT #SUB 117 144 PRO B 49 76 ARG A Protein S 2 FT #SUB 118 145 ALA B 4 31 LEU A Protein B 2 FT #SUB 121 148 HIS B 339 366 ASP A Protein S 6 FT #SUB 121 148 HIS B 348 375 PRO A Protein S 2 FT #SUB 154 181 GLN B 3 30 LYS A Protein A 6 FT #SUB 157 184 PHE B 3 30 LYS A Protein B 3 FT #SUB 159 186 GLU B 1 28 LYS A Protein S 1 FT #SUB 300 327 PRO B 47 74 GLY A Protein S 3 FT #SUB 302 329 GLN B 49 76 ARG A Protein S 8 FT #SUB 302 329 GLN B 350 377 GLY A Protein S 3 FT #SUB 302 329 GLN B 351 378 ASP A Protein S 4 FT #SUB 304 331 ASN B 44 71 ASN A Protein S 1 FT #SUB 306 333 ASN B 10 37 VAL A Protein S 8 FT #SUB 311 338 GLU B 13 40 PRO A Protein S 1 FT #SUB 66 93 ARG B 378 405 ASP C Protein S 1 FT #SUB 108 135 THR B 298 325 GLU C Protein B 2 FT #SUB 109 136 ILE B 297 324 GLU C Protein S 2 FT #SUB 109 136 ILE B 298 325 GLU C Protein A 8 FT #SUB 309 336 MET B 300 327 PRO C Protein B 1 FT #SUB 310 337 ASP B 300 327 PRO C Protein S 3 FT #SUB 310 337 ASP B 301 328 ALA C Protein S 1 FT #SUB 320 347 ARG B 306 333 ASN C Protein S 4 FT #SUB 341 368 LYS B 382 409 GLU C Protein S 1 FT #SUB 378 405 ASP B 113 140 GLN C Protein S 11 FT #SUB 379 406 GLU B 109 136 ILE C Protein B 3 FT #SUB 379 406 GLU B 305 332 TYR C Protein S 2 FT #SUB 379 406 GLU B 306 333 ASN C Protein S 1 FT #SUB 380 407 LYS B 109 136 ILE C Protein B 4 FT #SUB 382 409 GLU B 109 136 ILE C Protein S 1 FT #SUB 382 409 GLU B 309 336 MET C Protein S 1 FT #SUB 382 409 GLU B 399 426 LYS C Protein S 3 FT #SUB 398 425 GLN B 311 338 GLU C Protein S 1 FT #SUB 399 426 LYS B 298 325 GLU C Protein S 3 FT #SUB 399 426 LYS B 311 338 GLU C Protein S 1 FT #HET 76 103 TYR B 3 482 HEM B S 5 FT #HET 76 103 TYR B 4 490 JKF B S 10 FT #HET 78 105 PHE B 4 490 JKF B S 2 FT #HET 79 106 MET B 4 490 JKF B S 5 FT #HET 83 110 PHE B 4 490 JKF B S 4 FT #HET 88 115 ALA B 4 490 JKF B S 1 FT #HET 89 116 TYR B 3 482 HEM B S 5 FT #HET 89 116 TYR B 4 490 JKF B S 2 FT #HET 97 124 ARG B 3 482 HEM B S 4 FT #HET 100 127 LEU B 3 482 HEM B S 6 FT #HET 107 134 LEU B 3 482 HEM B S 2 FT #HET 181 208 LEU B 4 490 JKF B S 1 FT #HET 261 288 ALA B 3 482 HEM B A 3 FT #HET 263 290 PHE B 4 490 JKF B A 6 FT #HET 264 291 ALA B 3 482 HEM B A 8 FT #HET 264 291 ALA B 4 490 JKF B A 17 FT #HET 265 292 GLY B 3 482 HEM B B 3 FT #HET 268 295 THR B 3 482 HEM B A 12 FT #HET 269 296 SER B 3 482 HEM B A 3 FT #HET 272 299 THR B 3 482 HEM B S 1 FT #HET 329 356 LEU B 3 482 HEM B S 3 FT #HET 329 356 LEU B 4 490 JKF B S 8 FT #HET 331 358 MET B 4 490 JKF B B 1 FT #HET 332 359 LEU B 3 482 HEM B S 5 FT #HET 334 361 ARG B 3 482 HEM B S 8 FT #HET 387 414 GLY B 3 482 HEM B B 4 FT #HET 388 415 PHE B 3 482 HEM B A 16 FT #HET 389 416 GLY B 3 482 HEM B B 3 FT #HET 392 419 VAL B 3 482 HEM B B 1 FT #HET 393 420 HIS B 3 482 HEM B A 15 FT #HET 394 421 LYS B 3 482 HEM B B 1 FT #HET 395 422 CYS B 3 482 HEM B A 24 FT #HET 396 423 ILE B 3 482 HEM B A 6 FT #HET 397 424 GLY B 3 482 HEM B B 14 FT #HET 433 460 MET B 4 490 JKF B S 6 FT #HET 434 461 VAL B 4 490 JKF B S 3 FT DISORDER 451 454 CC SEQUENCE 450 AA (ATOM); CC KGKLPPVYPV TVPILGHIIQ FGKSPLGFMQ ECKRQLKSGI FTINIVGKRV TIVGDPHEHS CC RFFLPRNEVL SPREVYSFMV PVFGEGVAYA APYPRMREQL NFLAEELTIA KFQNFVPAIQ CC HEVRKFMAAN WDKDEGEINL LEDCSTMIIN TACQCLFGED LRKRLDARRF AQLLAKMESS CC LIPAAVFLPI LLKLPLPQSA RCHEARTELQ KILSEIIIAR KEEEVNKDSS TSDLLSGLLS CC AVYRDGTPMS LHEVCGMIVA AMFAGQHTSS ITTTWSMLHL MHPANVKHLE ALRKEIEEFP CC AQLNYNNVMD EMPFAERCAR ESIRRDPPLL MLMRKVMADV KVGSYVVPKG DIIACSPLLS CC HHDEEAFPEP RRWDPERDEK VEGAFIGFGA GVHKCIGQKF GLLQVKTILA TAFRSYDFQL CC LRDEVPDPDY HTMVVGPTAS QCRVKYIRRK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES KGKLPPVYPVTVPILGHIIQFGKSPLGFMQECKRQLKSGIFTINIVGKRV CC ATOM KGKLPPVYPVTVPILGHIIQFGKSPLGFMQECKRQLKSGIFTINIVGKRV CC ************************************************** CC SEQRES TIVGDPHEHSRFFLPRNEVLSPREVYSFMVPVFGEGVAYAAPYPRMREQL CC ATOM TIVGDPHEHSRFFLPRNEVLSPREVYSFMVPVFGEGVAYAAPYPRMREQL CC ************************************************** CC SEQRES NFLAEELTIAKFQNFVPAIQHEVRKFMAANWDKDEGEINLLEDCSTMIIN CC ATOM NFLAEELTIAKFQNFVPAIQHEVRKFMAANWDKDEGEINLLEDCSTMIIN CC ************************************************** CC SEQRES TACQCLFGEDLRKRLDARRFAQLLAKMESSLIPAAVFLPILLKLPLPQSA CC ATOM TACQCLFGEDLRKRLDARRFAQLLAKMESSLIPAAVFLPILLKLPLPQSA CC ************************************************** CC SEQRES RCHEARTELQKILSEIIIARKEEEVNKDSSTSDLLSGLLSAVYRDGTPMS CC ATOM RCHEARTELQKILSEIIIARKEEEVNKDSSTSDLLSGLLSAVYRDGTPMS CC ************************************************** CC SEQRES LHEVCGMIVAAMFAGQHTSSITTTWSMLHLMHPANVKHLEALRKEIEEFP CC ATOM LHEVCGMIVAAMFAGQHTSSITTTWSMLHLMHPANVKHLEALRKEIEEFP CC ************************************************** CC SEQRES AQLNYNNVMDEMPFAERCARESIRRDPPLLMLMRKVMADVKVGSYVVPKG CC ATOM AQLNYNNVMDEMPFAERCARESIRRDPPLLMLMRKVMADVKVGSYVVPKG CC ************************************************** CC SEQRES DIIACSPLLSHHDEEAFPEPRRWDPERDEKVEGAFIGFGAGVHKCIGQKF CC ATOM DIIACSPLLSHHDEEAFPEPRRWDPERDEKVEGAFIGFGAGVHKCIGQKF CC ************************************************** CC SEQRES GLLQVKTILATAFRSYDFQLLRDEVPDPDYHTMVVGPTASQCRVKYIRRK CC ATOM GLLQVKTILATAFRSYDFQLLRDEVPDPDYHTMVVGPTASQCRVKYIRRK CC ************************************************** CC SEQRES AAAA CC ATOM ---- CC SQ SEQUENCE 454 AA; MW; CN; KGKLPPVYPV TVPILGHIIQ FGKSPLGFMQ ECKRQLKSGI FTINIVGKRV TIVGDPHEHS RFFLPRNEVL SPREVYSFMV PVFGEGVAYA APYPRMREQL NFLAEELTIA KFQNFVPAIQ HEVRKFMAAN WDKDEGEINL LEDCSTMIIN TACQCLFGED LRKRLDARRF AQLLAKMESS LIPAAVFLPI LLKLPLPQSA RCHEARTELQ KILSEIIIAR KEEEVNKDSS TSDLLSGLLS AVYRDGTPMS LHEVCGMIVA AMFAGQHTSS ITTTWSMLHL MHPANVKHLE ALRKEIEEFP AQLNYNNVMD EMPFAERCAR ESIRRDPPLL MLMRKVMADV KVGSYVVPKG DIIACSPLLS HHDEEAFPEP RRWDPERDEK VEGAFIGFGA GVHKCIGQKF GLLQVKTILA TAFRSYDFQL LRDEVPDPDY HTMVVGPTAS QCRVKYIRRK AAAA // ID 3TIKC STANDARD; PRT; 454 AA. DT CONVERTED FROM PDB (SEQRES) 3TIK DE sterol 14-alpha demethylase (CYP51) OS Trypanosoma brucei CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.050 CC R-Factor 0.189 FT #SUB 109 136 ILE C 379 406 GLU B Protein S 3 FT #SUB 109 136 ILE C 380 407 LYS B Protein S 4 FT #SUB 109 136 ILE C 382 409 GLU B Protein S 1 FT #SUB 113 140 GLN C 378 405 ASP B Protein S 11 FT #SUB 297 324 GLU C 109 136 ILE B Protein B 2 FT #SUB 298 325 GLU C 108 135 THR B Protein S 2 FT #SUB 298 325 GLU C 109 136 ILE B Protein A 8 FT #SUB 298 325 GLU C 399 426 LYS B Protein A 3 FT #SUB 300 327 PRO C 309 336 MET B Protein S 1 FT #SUB 300 327 PRO C 310 337 ASP B Protein A 3 FT #SUB 301 328 ALA C 310 337 ASP B Protein B 1 FT #SUB 305 332 TYR C 379 406 GLU B Protein S 2 FT #SUB 306 333 ASN C 320 347 ARG B Protein S 4 FT #SUB 306 333 ASN C 379 406 GLU B Protein S 1 FT #SUB 309 336 MET C 382 409 GLU B Protein S 1 FT #SUB 311 338 GLU C 398 425 GLN B Protein S 1 FT #SUB 311 338 GLU C 399 426 LYS B Protein S 1 FT #SUB 378 405 ASP C 66 93 ARG B Protein S 1 FT #SUB 382 409 GLU C 341 368 LYS B Protein S 1 FT #SUB 399 426 LYS C 382 409 GLU B Protein S 3 FT #SUB 226 253 ASN C 341 368 LYS D Protein A 3 FT #SUB 228 255 ASP C 339 366 ASP D Protein S 2 FT #HET 76 103 TYR C 5 482 HEM C S 5 FT #HET 76 103 TYR C 6 490 JKF C S 7 FT #HET 78 105 PHE C 6 490 JKF C S 2 FT #HET 83 110 PHE C 6 490 JKF C S 3 FT #HET 88 115 ALA C 6 490 JKF C S 1 FT #HET 89 116 TYR C 5 482 HEM C S 6 FT #HET 89 116 TYR C 6 490 JKF C S 2 FT #HET 97 124 ARG C 5 482 HEM C S 3 FT #HET 100 127 LEU C 5 482 HEM C S 4 FT #HET 107 134 LEU C 5 482 HEM C S 1 FT #HET 181 208 LEU C 6 490 JKF C S 1 FT #HET 261 288 ALA C 5 482 HEM C A 4 FT #HET 263 290 PHE C 6 490 JKF C S 4 FT #HET 264 291 ALA C 5 482 HEM C S 7 FT #HET 264 291 ALA C 6 490 JKF C A 16 FT #HET 265 292 GLY C 5 482 HEM C B 4 FT #HET 268 295 THR C 5 482 HEM C A 14 FT #HET 269 296 SER C 5 482 HEM C A 2 FT #HET 272 299 THR C 5 482 HEM C S 1 FT #HET 328 355 PRO C 5 482 HEM C S 1 FT #HET 329 356 LEU C 5 482 HEM C S 4 FT #HET 329 356 LEU C 6 490 JKF C S 4 FT #HET 331 358 MET C 6 490 JKF C B 1 FT #HET 332 359 LEU C 5 482 HEM C S 5 FT #HET 334 361 ARG C 5 482 HEM C S 8 FT #HET 387 414 GLY C 5 482 HEM C B 3 FT #HET 388 415 PHE C 5 482 HEM C A 14 FT #HET 389 416 GLY C 5 482 HEM C B 2 FT #HET 392 419 VAL C 5 482 HEM C B 1 FT #HET 393 420 HIS C 5 482 HEM C A 14 FT #HET 394 421 LYS C 5 482 HEM C B 1 FT #HET 395 422 CYS C 5 482 HEM C A 28 FT #HET 396 423 ILE C 5 482 HEM C A 5 FT #HET 397 424 GLY C 5 482 HEM C B 14 FT #HET 433 460 MET C 6 490 JKF C S 6 FT #HET 434 461 VAL C 6 490 JKF C S 3 FT DISORDER 451 454 CC SEQUENCE 450 AA (ATOM); CC KGKLPPVYPV TVPILGHIIQ FGKSPLGFMQ ECKRQLKSGI FTINIVGKRV TIVGDPHEHS CC RFFLPRNEVL SPREVYSFMV PVFGEGVAYA APYPRMREQL NFLAEELTIA KFQNFVPAIQ CC HEVRKFMAAN WDKDEGEINL LEDCSTMIIN TACQCLFGED LRKRLDARRF AQLLAKMESS CC LIPAAVFLPI LLKLPLPQSA RCHEARTELQ KILSEIIIAR KEEEVNKDSS TSDLLSGLLS CC AVYRDGTPMS LHEVCGMIVA AMFAGQHTSS ITTTWSMLHL MHPANVKHLE ALRKEIEEFP CC AQLNYNNVMD EMPFAERCAR ESIRRDPPLL MLMRKVMADV KVGSYVVPKG DIIACSPLLS CC HHDEEAFPEP RRWDPERDEK VEGAFIGFGA GVHKCIGQKF GLLQVKTILA TAFRSYDFQL CC LRDEVPDPDY HTMVVGPTAS QCRVKYIRRK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES KGKLPPVYPVTVPILGHIIQFGKSPLGFMQECKRQLKSGIFTINIVGKRV CC ATOM KGKLPPVYPVTVPILGHIIQFGKSPLGFMQECKRQLKSGIFTINIVGKRV CC ************************************************** CC SEQRES TIVGDPHEHSRFFLPRNEVLSPREVYSFMVPVFGEGVAYAAPYPRMREQL CC ATOM TIVGDPHEHSRFFLPRNEVLSPREVYSFMVPVFGEGVAYAAPYPRMREQL CC ************************************************** CC SEQRES NFLAEELTIAKFQNFVPAIQHEVRKFMAANWDKDEGEINLLEDCSTMIIN CC ATOM NFLAEELTIAKFQNFVPAIQHEVRKFMAANWDKDEGEINLLEDCSTMIIN CC ************************************************** CC SEQRES TACQCLFGEDLRKRLDARRFAQLLAKMESSLIPAAVFLPILLKLPLPQSA CC ATOM TACQCLFGEDLRKRLDARRFAQLLAKMESSLIPAAVFLPILLKLPLPQSA CC ************************************************** CC SEQRES RCHEARTELQKILSEIIIARKEEEVNKDSSTSDLLSGLLSAVYRDGTPMS CC ATOM RCHEARTELQKILSEIIIARKEEEVNKDSSTSDLLSGLLSAVYRDGTPMS CC ************************************************** CC SEQRES LHEVCGMIVAAMFAGQHTSSITTTWSMLHLMHPANVKHLEALRKEIEEFP CC ATOM LHEVCGMIVAAMFAGQHTSSITTTWSMLHLMHPANVKHLEALRKEIEEFP CC ************************************************** CC SEQRES AQLNYNNVMDEMPFAERCARESIRRDPPLLMLMRKVMADVKVGSYVVPKG CC ATOM AQLNYNNVMDEMPFAERCARESIRRDPPLLMLMRKVMADVKVGSYVVPKG CC ************************************************** CC SEQRES DIIACSPLLSHHDEEAFPEPRRWDPERDEKVEGAFIGFGAGVHKCIGQKF CC ATOM DIIACSPLLSHHDEEAFPEPRRWDPERDEKVEGAFIGFGAGVHKCIGQKF CC ************************************************** CC SEQRES GLLQVKTILATAFRSYDFQLLRDEVPDPDYHTMVVGPTASQCRVKYIRRK CC ATOM GLLQVKTILATAFRSYDFQLLRDEVPDPDYHTMVVGPTASQCRVKYIRRK CC ************************************************** CC SEQRES AAAA CC ATOM ---- CC SQ SEQUENCE 454 AA; MW; CN; KGKLPPVYPV TVPILGHIIQ FGKSPLGFMQ ECKRQLKSGI FTINIVGKRV TIVGDPHEHS RFFLPRNEVL SPREVYSFMV PVFGEGVAYA APYPRMREQL NFLAEELTIA KFQNFVPAIQ HEVRKFMAAN WDKDEGEINL LEDCSTMIIN TACQCLFGED LRKRLDARRF AQLLAKMESS LIPAAVFLPI LLKLPLPQSA RCHEARTELQ KILSEIIIAR KEEEVNKDSS TSDLLSGLLS AVYRDGTPMS LHEVCGMIVA AMFAGQHTSS ITTTWSMLHL MHPANVKHLE ALRKEIEEFP AQLNYNNVMD EMPFAERCAR ESIRRDPPLL MLMRKVMADV KVGSYVVPKG DIIACSPLLS HHDEEAFPEP RRWDPERDEK VEGAFIGFGA GVHKCIGQKF GLLQVKTILA TAFRSYDFQL LRDEVPDPDY HTMVVGPTAS QCRVKYIRRK AAAA // ID 3TIKD STANDARD; PRT; 454 AA. DT CONVERTED FROM PDB (SEQRES) 3TIK DE sterol 14-alpha demethylase (CYP51) OS Trypanosoma brucei CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.050 CC R-Factor 0.189 FT #SUB 14 41 ILE D 190 217 ILE A Protein A 2 FT #SUB 15 42 LEU D 190 217 ILE A Protein S 2 FT #SUB 15 42 LEU D 194 221 LEU A Protein S 1 FT #SUB 19 46 ILE D 195 222 PRO A Protein S 2 FT #SUB 46 73 VAL D 190 217 ILE A Protein S 1 FT #SUB 179 206 SER D 179 206 SER A Protein A 4 FT #SUB 179 206 SER D 198 225 GLN A Protein B 1 FT #SUB 179 206 SER D 201 228 ARG A Protein A 6 FT #SUB 181 208 LEU D 198 225 GLN A Protein B 4 FT #SUB 182 209 ILE D 182 209 ILE A Protein S 1 FT #SUB 182 209 ILE D 198 225 GLN A Protein S 1 FT #SUB 183 210 PRO D 197 224 PRO A Protein S 1 FT #SUB 184 211 ALA D 196 223 LEU A Protein S 1 FT #SUB 188 215 LEU D 194 221 LEU A Protein S 1 FT #SUB 190 217 ILE D 15 42 LEU A Protein S 1 FT #SUB 190 217 ILE D 46 73 VAL A Protein S 1 FT #SUB 191 218 LEU D 191 218 LEU A Protein S 1 FT #SUB 194 221 LEU D 15 42 LEU A Protein S 1 FT #SUB 194 221 LEU D 18 45 ILE A Protein S 1 FT #SUB 194 221 LEU D 188 215 LEU A Protein S 1 FT #SUB 195 222 PRO D 18 45 ILE A Protein S 2 FT #SUB 196 223 LEU D 182 209 ILE A Protein S 1 FT #SUB 197 224 PRO D 181 208 LEU A Protein S 1 FT #SUB 197 224 PRO D 183 210 PRO A Protein S 3 FT #SUB 197 224 PRO D 433 460 MET A Protein S 2 FT #SUB 198 225 GLN D 179 206 SER A Protein S 1 FT #SUB 198 225 GLN D 181 208 LEU A Protein S 3 FT #SUB 198 225 GLN D 182 209 ILE A Protein S 1 FT #SUB 201 228 ARG D 179 206 SER A Protein S 4 FT #SUB 339 366 ASP D 228 255 ASP C Protein S 2 FT #SUB 341 368 LYS D 226 253 ASN C Protein S 3 FT #HET 76 103 TYR D 7 482 HEM D S 5 FT #HET 76 103 TYR D 8 490 JKF D S 9 FT #HET 78 105 PHE D 8 490 JKF D S 2 FT #HET 79 106 MET D 8 490 JKF D S 3 FT #HET 83 110 PHE D 8 490 JKF D S 3 FT #HET 88 115 ALA D 8 490 JKF D S 1 FT #HET 89 116 TYR D 7 482 HEM D S 6 FT #HET 89 116 TYR D 8 490 JKF D S 4 FT #HET 97 124 ARG D 7 482 HEM D S 4 FT #HET 100 127 LEU D 7 482 HEM D S 3 FT #HET 107 134 LEU D 7 482 HEM D S 1 FT #HET 181 208 LEU D 8 490 JKF D S 2 FT #HET 261 288 ALA D 7 482 HEM D A 2 FT #HET 263 290 PHE D 8 490 JKF D S 2 FT #HET 264 291 ALA D 7 482 HEM D S 6 FT #HET 264 291 ALA D 8 490 JKF D A 18 FT #HET 265 292 GLY D 7 482 HEM D B 2 FT #HET 268 295 THR D 7 482 HEM D A 13 FT #HET 268 295 THR D 8 490 JKF D S 1 FT #HET 269 296 SER D 7 482 HEM D A 2 FT #HET 272 299 THR D 7 482 HEM D S 1 FT #HET 329 356 LEU D 7 482 HEM D S 4 FT #HET 329 356 LEU D 8 490 JKF D S 6 FT #HET 331 358 MET D 8 490 JKF D B 1 FT #HET 332 359 LEU D 7 482 HEM D S 3 FT #HET 332 359 LEU D 8 490 JKF D S 1 FT #HET 334 361 ARG D 7 482 HEM D S 8 FT #HET 387 414 GLY D 7 482 HEM D B 4 FT #HET 388 415 PHE D 7 482 HEM D A 16 FT #HET 389 416 GLY D 7 482 HEM D B 3 FT #HET 392 419 VAL D 7 482 HEM D B 1 FT #HET 393 420 HIS D 7 482 HEM D A 17 FT #HET 394 421 LYS D 7 482 HEM D B 1 FT #HET 395 422 CYS D 7 482 HEM D A 25 FT #HET 396 423 ILE D 7 482 HEM D A 7 FT #HET 397 424 GLY D 7 482 HEM D B 12 FT #HET 433 460 MET D 8 490 JKF D S 5 FT #HET 434 461 VAL D 8 490 JKF D S 3 FT DISORDER 451 454 CC SEQUENCE 450 AA (ATOM); CC KGKLPPVYPV TVPILGHIIQ FGKSPLGFMQ ECKRQLKSGI FTINIVGKRV TIVGDPHEHS CC RFFLPRNEVL SPREVYSFMV PVFGEGVAYA APYPRMREQL NFLAEELTIA KFQNFVPAIQ CC HEVRKFMAAN WDKDEGEINL LEDCSTMIIN TACQCLFGED LRKRLDARRF AQLLAKMESS CC LIPAAVFLPI LLKLPLPQSA RCHEARTELQ KILSEIIIAR KEEEVNKDSS TSDLLSGLLS CC AVYRDGTPMS LHEVCGMIVA AMFAGQHTSS ITTTWSMLHL MHPANVKHLE ALRKEIEEFP CC AQLNYNNVMD EMPFAERCAR ESIRRDPPLL MLMRKVMADV KVGSYVVPKG DIIACSPLLS CC HHDEEAFPEP RRWDPERDEK VEGAFIGFGA GVHKCIGQKF GLLQVKTILA TAFRSYDFQL CC LRDEVPDPDY HTMVVGPTAS QCRVKYIRRK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES KGKLPPVYPVTVPILGHIIQFGKSPLGFMQECKRQLKSGIFTINIVGKRV CC ATOM KGKLPPVYPVTVPILGHIIQFGKSPLGFMQECKRQLKSGIFTINIVGKRV CC ************************************************** CC SEQRES TIVGDPHEHSRFFLPRNEVLSPREVYSFMVPVFGEGVAYAAPYPRMREQL CC ATOM TIVGDPHEHSRFFLPRNEVLSPREVYSFMVPVFGEGVAYAAPYPRMREQL CC ************************************************** CC SEQRES NFLAEELTIAKFQNFVPAIQHEVRKFMAANWDKDEGEINLLEDCSTMIIN CC ATOM NFLAEELTIAKFQNFVPAIQHEVRKFMAANWDKDEGEINLLEDCSTMIIN CC ************************************************** CC SEQRES TACQCLFGEDLRKRLDARRFAQLLAKMESSLIPAAVFLPILLKLPLPQSA CC ATOM TACQCLFGEDLRKRLDARRFAQLLAKMESSLIPAAVFLPILLKLPLPQSA CC ************************************************** CC SEQRES RCHEARTELQKILSEIIIARKEEEVNKDSSTSDLLSGLLSAVYRDGTPMS CC ATOM RCHEARTELQKILSEIIIARKEEEVNKDSSTSDLLSGLLSAVYRDGTPMS CC ************************************************** CC SEQRES LHEVCGMIVAAMFAGQHTSSITTTWSMLHLMHPANVKHLEALRKEIEEFP CC ATOM LHEVCGMIVAAMFAGQHTSSITTTWSMLHLMHPANVKHLEALRKEIEEFP CC ************************************************** CC SEQRES AQLNYNNVMDEMPFAERCARESIRRDPPLLMLMRKVMADVKVGSYVVPKG CC ATOM AQLNYNNVMDEMPFAERCARESIRRDPPLLMLMRKVMADVKVGSYVVPKG CC ************************************************** CC SEQRES DIIACSPLLSHHDEEAFPEPRRWDPERDEKVEGAFIGFGAGVHKCIGQKF CC ATOM DIIACSPLLSHHDEEAFPEPRRWDPERDEKVEGAFIGFGAGVHKCIGQKF CC ************************************************** CC SEQRES GLLQVKTILATAFRSYDFQLLRDEVPDPDYHTMVVGPTASQCRVKYIRRK CC ATOM GLLQVKTILATAFRSYDFQLLRDEVPDPDYHTMVVGPTASQCRVKYIRRK CC ************************************************** CC SEQRES AAAA CC ATOM ---- CC SQ SEQUENCE 454 AA; MW; CN; KGKLPPVYPV TVPILGHIIQ FGKSPLGFMQ ECKRQLKSGI FTINIVGKRV TIVGDPHEHS RFFLPRNEVL SPREVYSFMV PVFGEGVAYA APYPRMREQL NFLAEELTIA KFQNFVPAIQ HEVRKFMAAN WDKDEGEINL LEDCSTMIIN TACQCLFGED LRKRLDARRF AQLLAKMESS LIPAAVFLPI LLKLPLPQSA RCHEARTELQ KILSEIIIAR KEEEVNKDSS TSDLLSGLLS AVYRDGTPMS LHEVCGMIVA AMFAGQHTSS ITTTWSMLHL MHPANVKHLE ALRKEIEEFP AQLNYNNVMD EMPFAERCAR ESIRRDPPLL MLMRKVMADV KVGSYVVPKG DIIACSPLLS HHDEEAFPEP RRWDPERDEK VEGAFIGFGA GVHKCIGQKF GLLQVKTILA TAFRSYDFQL LRDEVPDPDY HTMVVGPTAS QCRVKYIRRK AAAA //