ID 4H80A STANDARD; PRT; 469 AA. DT CONVERTED FROM PDB (SEQRES) 4H80 DE Aldehyde dehydrogenase, dimeric NADP-preferring OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.235 FT #SUB 37 20 ARG A 395 378 ALA B Protein S 3 FT #SUB 71 54 ASN A 462 445 SER B Protein S 1 FT #SUB 73 56 TRP A 457 440 VAL B Protein S 2 FT #SUB 73 56 TRP A 458 441 ARG B Protein S 1 FT #SUB 73 56 TRP A 462 445 SER B Protein S 5 FT #SUB 73 56 TRP A 463 446 PRO B Protein S 3 FT #SUB 103 86 VAL A 415 398 SER B Protein S 3 FT #SUB 103 86 VAL A 416 399 LEU B Protein S 1 FT #SUB 104 87 GLU A 415 398 SER B Protein B 2 FT #SUB 106 89 THR A 414 397 HIS B Protein S 2 FT #SUB 109 92 THR A 413 396 LEU B Protein S 1 FT #SUB 114 97 LEU A 413 396 LEU B Protein S 1 FT #SUB 114 97 LEU A 415 398 SER B Protein S 1 FT #SUB 115 98 TYR A 394 377 ILE B Protein S 1 FT #SUB 115 98 TYR A 416 399 LEU B Protein B 1 FT #SUB 117 100 HIS A 394 377 ILE B Protein S 1 FT #SUB 119 102 GLU A 397 380 THR B Protein S 1 FT #SUB 119 102 GLU A 398 381 SER B Protein S 4 FT #SUB 119 102 GLU A 399 382 SER B Protein S 2 FT #SUB 121 104 LEU A 376 359 LYS B Protein B 1 FT #SUB 196 179 ARG A 375 358 GLU B Protein S 9 FT #SUB 196 179 ARG A 423 406 ASN B Protein S 2 FT #SUB 206 189 THR A 220 203 LEU B Protein A 2 FT #SUB 209 192 GLY A 220 203 LEU B Protein B 2 FT #SUB 210 193 LYS A 217 200 ALA B Protein A 5 FT #SUB 210 193 LYS A 218 201 LYS B Protein S 4 FT #SUB 210 193 LYS A 220 203 LEU B Protein A 4 FT #SUB 213 196 MET A 217 200 ALA B Protein S 3 FT #SUB 213 196 MET A 221 204 THR B Protein S 1 FT #SUB 214 197 THR A 217 200 ALA B Protein A 2 FT #SUB 216 199 ALA A 213 196 MET B Protein S 1 FT #SUB 217 200 ALA A 210 193 LYS B Protein A 5 FT #SUB 217 200 ALA A 213 196 MET B Protein A 5 FT #SUB 217 200 ALA A 214 197 THR B Protein S 2 FT #SUB 218 201 LYS A 210 193 LYS B Protein B 4 FT #SUB 220 203 LEU A 206 189 THR B Protein S 2 FT #SUB 220 203 LEU A 209 192 GLY B Protein S 2 FT #SUB 220 203 LEU A 210 193 LYS B Protein S 2 FT #SUB 220 203 LEU A 225 208 LEU B Protein S 1 FT #SUB 220 203 LEU A 227 210 LEU B Protein S 1 FT #SUB 220 203 LEU A 426 409 MET B Protein B 2 FT #SUB 221 204 THR A 213 196 MET B Protein B 1 FT #SUB 221 204 THR A 426 409 MET B Protein B 3 FT #SUB 222 205 PRO A 426 409 MET B Protein B 2 FT #SUB 225 208 LEU A 220 203 LEU B Protein S 1 FT #SUB 227 210 LEU A 220 203 LEU B Protein S 1 FT #SUB 239 222 CYS A 449 432 LEU B Protein S 1 FT #SUB 243 226 VAL A 450 433 MET B Protein S 1 FT #SUB 246 229 ARG A 459 442 TYR B Protein S 1 FT #SUB 247 230 ARG A 448 431 PRO B Protein S 1 FT #SUB 247 230 ARG A 449 432 LEU B Protein S 1 FT #SUB 247 230 ARG A 450 433 MET B Protein S 2 FT #SUB 247 230 ARG A 455 438 LEU B Protein S 3 FT #SUB 247 230 ARG A 458 441 ARG B Protein S 2 FT #SUB 247 230 ARG A 459 442 TYR B Protein S 1 FT #SUB 250 233 TRP A 458 441 ARG B Protein S 15 FT #SUB 250 233 TRP A 459 442 TYR B Protein S 5 FT #SUB 286 269 GLU A 460 443 PRO B Protein B 1 FT #SUB 286 269 GLU A 461 444 PRO B Protein B 1 FT #SUB 287 270 PHE A 459 442 TYR B Protein S 5 FT #SUB 287 270 PHE A 460 443 PRO B Protein A 9 FT #SUB 287 270 PHE A 461 444 PRO B Protein B 2 FT #SUB 296 279 ARG A 462 445 SER B Protein S 3 FT #SUB 296 279 ARG A 463 446 PRO B Protein S 1 FT #SUB 297 280 ASP A 460 443 PRO B Protein S 2 FT #SUB 297 280 ASP A 461 444 PRO B Protein S 2 FT #SUB 297 280 ASP A 462 445 SER B Protein S 8 FT #SUB 375 358 GLU A 196 179 ARG B Protein S 7 FT #SUB 376 359 LYS A 121 104 LEU B Protein S 1 FT #SUB 380 363 LEU A 442 425 ARG B Protein S 1 FT #SUB 384 367 SER A 449 432 LEU B Protein B 1 FT #SUB 391 374 LYS A 113 96 GLU B Protein S 1 FT #SUB 394 377 ILE A 115 98 TYR B Protein S 1 FT #SUB 394 377 ILE A 442 425 ARG B Protein A 5 FT #SUB 395 378 ALA A 37 20 ARG B Protein B 3 FT #SUB 397 380 THR A 119 102 GLU B Protein B 1 FT #SUB 397 380 THR A 442 425 ARG B Protein A 8 FT #SUB 398 381 SER A 119 102 GLU B Protein A 4 FT #SUB 398 381 SER A 442 425 ARG B Protein B 6 FT #SUB 399 382 SER A 119 102 GLU B Protein B 1 FT #SUB 399 382 SER A 440 423 HIS B Protein B 3 FT #SUB 399 382 SER A 442 425 ARG B Protein A 12 FT #SUB 400 383 GLY A 440 423 HIS B Protein B 4 FT #SUB 400 383 GLY A 442 425 ARG B Protein B 2 FT #SUB 400 383 GLY A 443 426 SER B Protein B 1 FT #SUB 401 384 GLY A 443 426 SER B Protein B 2 FT #SUB 402 385 VAL A 442 425 ARG B Protein S 3 FT #SUB 402 385 VAL A 443 426 SER B Protein B 3 FT #SUB 402 385 VAL A 444 427 CYS B Protein B 2 FT #SUB 402 385 VAL A 445 428 LEU B Protein B 3 FT #SUB 403 386 ALA A 445 428 LEU B Protein B 2 FT #SUB 404 387 ALA A 445 428 LEU B Protein B 3 FT #SUB 404 387 ALA A 447 430 ARG B Protein B 4 FT #SUB 405 388 ASN A 447 430 ARG B Protein S 3 FT #SUB 405 388 ASN A 449 432 LEU B Protein S 9 FT #SUB 406 389 ASP A 447 430 ARG B Protein S 5 FT #SUB 406 389 ASP A 458 441 ARG B Protein S 8 FT #SUB 409 392 VAL A 445 428 LEU B Protein S 1 FT #SUB 409 392 VAL A 447 430 ARG B Protein S 1 FT #SUB 409 392 VAL A 458 441 ARG B Protein S 1 FT #SUB 410 393 HIS A 445 428 LEU B Protein S 1 FT #SUB 413 396 LEU A 109 92 THR B Protein S 1 FT #SUB 413 396 LEU A 114 97 LEU B Protein S 1 FT #SUB 415 398 SER A 103 86 VAL B Protein A 4 FT #SUB 415 398 SER A 104 87 GLU B Protein S 3 FT #SUB 415 398 SER A 114 97 LEU B Protein S 1 FT #SUB 416 399 LEU A 103 86 VAL B Protein S 1 FT #SUB 416 399 LEU A 115 98 TYR B Protein S 1 FT #SUB 416 399 LEU A 443 426 SER B Protein A 5 FT #SUB 416 399 LEU A 444 427 CYS B Protein S 2 FT #SUB 417 400 PRO A 443 426 SER B Protein A 6 FT #SUB 420 403 GLY A 440 423 HIS B Protein B 1 FT #SUB 421 404 VAL A 440 423 HIS B Protein S 6 FT #SUB 423 406 ASN A 196 179 ARG B Protein S 1 FT #SUB 426 409 MET A 220 203 LEU B Protein S 2 FT #SUB 426 409 MET A 221 204 THR B Protein S 2 FT #SUB 426 409 MET A 222 205 PRO B Protein S 2 FT #SUB 440 423 HIS A 399 382 SER B Protein S 3 FT #SUB 440 423 HIS A 400 383 GLY B Protein S 4 FT #SUB 440 423 HIS A 420 403 GLY B Protein S 1 FT #SUB 440 423 HIS A 421 404 VAL B Protein S 4 FT #SUB 442 425 ARG A 380 363 LEU B Protein S 1 FT #SUB 442 425 ARG A 394 377 ILE B Protein S 4 FT #SUB 442 425 ARG A 397 380 THR B Protein S 5 FT #SUB 442 425 ARG A 398 381 SER B Protein S 1 FT #SUB 442 425 ARG A 399 382 SER B Protein S 10 FT #SUB 442 425 ARG A 400 383 GLY B Protein A 2 FT #SUB 442 425 ARG A 402 385 VAL B Protein S 3 FT #SUB 443 426 SER A 401 384 GLY B Protein B 2 FT #SUB 443 426 SER A 402 385 VAL B Protein B 2 FT #SUB 443 426 SER A 416 399 LEU B Protein A 7 FT #SUB 443 426 SER A 417 400 PRO B Protein S 6 FT #SUB 444 427 CYS A 402 385 VAL B Protein B 2 FT #SUB 444 427 CYS A 416 399 LEU B Protein B 3 FT #SUB 445 428 LEU A 402 385 VAL B Protein B 2 FT #SUB 445 428 LEU A 403 386 ALA B Protein B 2 FT #SUB 445 428 LEU A 404 387 ALA B Protein B 2 FT #SUB 445 428 LEU A 409 392 VAL B Protein S 1 FT #SUB 445 428 LEU A 413 396 LEU B Protein S 1 FT #SUB 447 430 ARG A 404 387 ALA B Protein B 1 FT #SUB 447 430 ARG A 405 388 ASN B Protein B 2 FT #SUB 447 430 ARG A 406 389 ASP B Protein S 2 FT #SUB 447 430 ARG A 409 392 VAL B Protein S 1 FT #SUB 448 431 PRO A 247 230 ARG B Protein B 1 FT #SUB 449 432 LEU A 239 222 CYS B Protein S 1 FT #SUB 449 432 LEU A 243 226 VAL B Protein S 1 FT #SUB 449 432 LEU A 247 230 ARG B Protein S 1 FT #SUB 449 432 LEU A 405 388 ASN B Protein S 6 FT #SUB 450 433 MET A 247 230 ARG B Protein B 1 FT #SUB 455 438 LEU A 247 230 ARG B Protein S 1 FT #SUB 457 440 VAL A 73 56 TRP B Protein B 2 FT #SUB 458 441 ARG A 73 56 TRP B Protein B 1 FT #SUB 458 441 ARG A 247 230 ARG B Protein S 3 FT #SUB 458 441 ARG A 250 233 TRP B Protein A 12 FT #SUB 458 441 ARG A 406 389 ASP B Protein S 8 FT #SUB 458 441 ARG A 409 392 VAL B Protein S 1 FT #SUB 459 442 TYR A 247 230 ARG B Protein S 2 FT #SUB 459 442 TYR A 250 233 TRP B Protein S 5 FT #SUB 459 442 TYR A 287 270 PHE B Protein S 4 FT #SUB 460 443 PRO A 286 269 GLU B Protein B 1 FT #SUB 460 443 PRO A 287 270 PHE B Protein A 13 FT #SUB 461 444 PRO A 286 269 GLU B Protein S 2 FT #SUB 461 444 PRO A 287 270 PHE B Protein A 3 FT #SUB 461 444 PRO A 297 280 ASP B Protein A 2 FT #SUB 462 445 SER A 73 56 TRP B Protein S 5 FT #SUB 462 445 SER A 296 279 ARG B Protein A 7 FT #SUB 462 445 SER A 297 280 ASP B Protein A 8 FT #SUB 44 27 GLN A 396 379 GLU D Protein S 1 FT #SUB 47 30 GLU A 388 371 LYS D Protein S 3 FT #SUB 48 31 ALA A 365 348 GLU D Protein S 1 FT #SUB 51 34 ARG A 364 347 LEU D Protein S 4 FT #SUB 51 34 ARG A 365 348 GLU D Protein S 9 FT #SUB 51 34 ARG A 389 372 VAL D Protein S 1 FT #SUB 55 38 GLU A 237 220 LYS D Protein A 10 FT #SUB 172 155 GLN A 362 345 ARG D Protein S 9 FT #SUB 172 155 GLN A 363 346 SER D Protein B 3 FT #SUB 172 155 GLN A 365 348 GLU D Protein B 1 FT #SUB 172 155 GLN A 366 349 GLU D Protein S 1 FT #SUB 173 156 TYR A 362 345 ARG D Protein S 2 FT #SUB 173 156 TYR A 363 346 SER D Protein S 1 FT #SUB 173 156 TYR A 365 348 GLU D Protein B 4 FT #HET 78 61 GLU A 1 501 04T A A 11 FT #HET 79 62 GLU A 1 501 04T A B 1 FT #HET 82 65 TYR A 1 501 04T A S 12 FT #HET 131 114 ASN A 1 501 04T A S 1 FT #HET 132 115 TYR A 1 501 04T A S 14 FT #HET 135 118 ASN A 1 501 04T A S 12 FT #HET 136 119 LEU A 1 501 04T A S 2 FT #HET 250 233 TRP A 1 501 04T A S 6 FT #HET 254 237 MET A 1 501 04T A S 1 FT #HET 259 242 THR A 1 501 04T A S 2 FT #HET 260 243 CYS A 1 501 04T A A 9 FT #HET 261 244 VAL A 1 501 04T A A 6 FT #HET 408 391 ILE A 1 501 04T A S 1 FT #HET 409 392 VAL A 1 501 04T A S 1 FT #HET 411 394 ILE A 1 501 04T A S 4 FT #HET 412 395 THR A 1 501 04T A S 4 FT #HET 418 401 PHE A 1 501 04T A S 2 FT #HET 458 441 ARG A 2 501 04T B S 1 FT DISORDER 1 17 FT DISORDER 464 469 CC SEQUENCE 446 AA (ATOM); CC SKISEAVKRA RAAFSSGRTR PLQFRIQQLE ALQRLIQEQE QELVGALAAD LHKNEWNAYY CC EEVVYVLEEI EYMIQKLPEW AADEPVEKTP QTQQDELYIH SEPLGVVLVI GTWNYPFNLT CC IQPMVGAIAA GNAVVLKPSE LSENMASLLA TIIPQYLDKD LYPVINGGVP ETTELLKERF CC DHILYTGSTG VGKIIMTAAA KHLTPVTLEL GGKSPCYVDK NCDLDVACRR IAWGKFMNSG CC QTCVAPDYIL CDPSIQNQIV EKLKKSLKEF YGEDAKKSRD YGRIISARHF QRVMGLIEGQ CC KVAYGGTGDA ATRYIAPTIL TDVDPQSPVM QEEIFGPVLP IVCVRSLEEA IQFINQREKP CC LALYMFSSND KVIKKMIAET SSGGVAANDV IVHITLHSLP FGGVGNSGMG SYHGKKSFET CC FSHRRSCLVR PLMNDEGLKV RYPPSP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HHHHHHSSGLVPRGSHMSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ATOM -----------------SKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ********************************* CC SEQRES RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ATOM RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ************************************************** CC SEQRES EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ATOM EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ************************************************** CC SEQRES VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ATOM VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ************************************************** CC SEQRES LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ATOM LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ************************************************** CC SEQRES GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ATOM GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ************************************************** CC SEQRES IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ATOM IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ************************************************** CC SEQRES IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ATOM IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ************************************************** CC SEQRES GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ATOM GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ************************************************** CC SEQRES NDEGLKVRYPPSPAKMTQH CC ATOM NDEGLKVRYPPSP------ CC ************* SQ SEQUENCE 469 AA; MW; CN; HHHHHHSSGL VPRGSHMSKI SEAVKRARAA FSSGRTRPLQ FRIQQLEALQ RLIQEQEQEL VGALAADLHK NEWNAYYEEV VYVLEEIEYM IQKLPEWAAD EPVEKTPQTQ QDELYIHSEP LGVVLVIGTW NYPFNLTIQP MVGAIAAGNA VVLKPSELSE NMASLLATII PQYLDKDLYP VINGGVPETT ELLKERFDHI LYTGSTGVGK IIMTAAAKHL TPVTLELGGK SPCYVDKNCD LDVACRRIAW GKFMNSGQTC VAPDYILCDP SIQNQIVEKL KKSLKEFYGE DAKKSRDYGR IISARHFQRV MGLIEGQKVA YGGTGDAATR YIAPTILTDV DPQSPVMQEE IFGPVLPIVC VRSLEEAIQF INQREKPLAL YMFSSNDKVI KKMIAETSSG GVAANDVIVH ITLHSLPFGG VGNSGMGSYH GKKSFETFSH RRSCLVRPLM NDEGLKVRYP PSPAKMTQH // ID 4H80B STANDARD; PRT; 469 AA. DT CONVERTED FROM PDB (SEQRES) 4H80 DE Aldehyde dehydrogenase, dimeric NADP-preferring OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.235 FT #SUB 37 20 ARG B 395 378 ALA A Protein S 3 FT #SUB 73 56 TRP B 457 440 VAL A Protein S 2 FT #SUB 73 56 TRP B 458 441 ARG A Protein S 1 FT #SUB 73 56 TRP B 462 445 SER A Protein S 5 FT #SUB 103 86 VAL B 415 398 SER A Protein S 4 FT #SUB 103 86 VAL B 416 399 LEU A Protein S 1 FT #SUB 104 87 GLU B 415 398 SER A Protein B 3 FT #SUB 109 92 THR B 413 396 LEU A Protein S 1 FT #SUB 113 96 GLU B 391 374 LYS A Protein S 1 FT #SUB 114 97 LEU B 413 396 LEU A Protein S 1 FT #SUB 114 97 LEU B 415 398 SER A Protein S 1 FT #SUB 115 98 TYR B 394 377 ILE A Protein S 1 FT #SUB 115 98 TYR B 416 399 LEU A Protein B 1 FT #SUB 119 102 GLU B 397 380 THR A Protein S 1 FT #SUB 119 102 GLU B 398 381 SER A Protein S 4 FT #SUB 119 102 GLU B 399 382 SER A Protein S 1 FT #SUB 121 104 LEU B 376 359 LYS A Protein B 1 FT #SUB 196 179 ARG B 375 358 GLU A Protein S 7 FT #SUB 196 179 ARG B 423 406 ASN A Protein S 1 FT #SUB 206 189 THR B 220 203 LEU A Protein A 2 FT #SUB 209 192 GLY B 220 203 LEU A Protein B 2 FT #SUB 210 193 LYS B 217 200 ALA A Protein A 5 FT #SUB 210 193 LYS B 218 201 LYS A Protein S 4 FT #SUB 210 193 LYS B 220 203 LEU A Protein A 2 FT #SUB 213 196 MET B 216 199 ALA A Protein S 1 FT #SUB 213 196 MET B 217 200 ALA A Protein S 5 FT #SUB 213 196 MET B 221 204 THR A Protein S 1 FT #SUB 214 197 THR B 217 200 ALA A Protein A 2 FT #SUB 217 200 ALA B 210 193 LYS A Protein A 5 FT #SUB 217 200 ALA B 213 196 MET A Protein A 3 FT #SUB 217 200 ALA B 214 197 THR A Protein S 2 FT #SUB 218 201 LYS B 210 193 LYS A Protein B 4 FT #SUB 220 203 LEU B 206 189 THR A Protein S 2 FT #SUB 220 203 LEU B 209 192 GLY A Protein S 2 FT #SUB 220 203 LEU B 210 193 LYS A Protein S 4 FT #SUB 220 203 LEU B 225 208 LEU A Protein S 1 FT #SUB 220 203 LEU B 227 210 LEU A Protein S 1 FT #SUB 220 203 LEU B 426 409 MET A Protein B 2 FT #SUB 221 204 THR B 213 196 MET A Protein B 1 FT #SUB 221 204 THR B 426 409 MET A Protein B 2 FT #SUB 222 205 PRO B 426 409 MET A Protein B 2 FT #SUB 225 208 LEU B 220 203 LEU A Protein S 1 FT #SUB 227 210 LEU B 220 203 LEU A Protein S 1 FT #SUB 239 222 CYS B 449 432 LEU A Protein S 1 FT #SUB 243 226 VAL B 449 432 LEU A Protein S 1 FT #SUB 247 230 ARG B 448 431 PRO A Protein S 1 FT #SUB 247 230 ARG B 449 432 LEU A Protein S 1 FT #SUB 247 230 ARG B 450 433 MET A Protein S 1 FT #SUB 247 230 ARG B 455 438 LEU A Protein S 1 FT #SUB 247 230 ARG B 458 441 ARG A Protein S 3 FT #SUB 247 230 ARG B 459 442 TYR A Protein S 2 FT #SUB 250 233 TRP B 458 441 ARG A Protein S 12 FT #SUB 250 233 TRP B 459 442 TYR A Protein S 5 FT #SUB 286 269 GLU B 460 443 PRO A Protein B 1 FT #SUB 286 269 GLU B 461 444 PRO A Protein B 2 FT #SUB 287 270 PHE B 459 442 TYR A Protein S 4 FT #SUB 287 270 PHE B 460 443 PRO A Protein A 13 FT #SUB 287 270 PHE B 461 444 PRO A Protein B 3 FT #SUB 296 279 ARG B 462 445 SER A Protein S 7 FT #SUB 297 280 ASP B 461 444 PRO A Protein S 2 FT #SUB 297 280 ASP B 462 445 SER A Protein S 8 FT #SUB 375 358 GLU B 196 179 ARG A Protein S 9 FT #SUB 376 359 LYS B 121 104 LEU A Protein S 1 FT #SUB 380 363 LEU B 442 425 ARG A Protein S 1 FT #SUB 394 377 ILE B 115 98 TYR A Protein S 1 FT #SUB 394 377 ILE B 117 100 HIS A Protein S 1 FT #SUB 394 377 ILE B 442 425 ARG A Protein A 4 FT #SUB 395 378 ALA B 37 20 ARG A Protein B 3 FT #SUB 397 380 THR B 119 102 GLU A Protein B 1 FT #SUB 397 380 THR B 442 425 ARG A Protein A 5 FT #SUB 398 381 SER B 119 102 GLU A Protein A 4 FT #SUB 398 381 SER B 442 425 ARG A Protein B 1 FT #SUB 399 382 SER B 119 102 GLU A Protein B 2 FT #SUB 399 382 SER B 440 423 HIS A Protein B 3 FT #SUB 399 382 SER B 442 425 ARG A Protein A 10 FT #SUB 400 383 GLY B 440 423 HIS A Protein B 4 FT #SUB 400 383 GLY B 442 425 ARG A Protein B 2 FT #SUB 401 384 GLY B 443 426 SER A Protein B 2 FT #SUB 402 385 VAL B 442 425 ARG A Protein S 3 FT #SUB 402 385 VAL B 443 426 SER A Protein B 2 FT #SUB 402 385 VAL B 444 427 CYS A Protein B 2 FT #SUB 402 385 VAL B 445 428 LEU A Protein B 2 FT #SUB 403 386 ALA B 445 428 LEU A Protein B 2 FT #SUB 404 387 ALA B 445 428 LEU A Protein B 2 FT #SUB 404 387 ALA B 447 430 ARG A Protein B 1 FT #SUB 405 388 ASN B 447 430 ARG A Protein S 2 FT #SUB 405 388 ASN B 449 432 LEU A Protein S 6 FT #SUB 406 389 ASP B 447 430 ARG A Protein S 2 FT #SUB 406 389 ASP B 458 441 ARG A Protein S 8 FT #SUB 409 392 VAL B 445 428 LEU A Protein S 1 FT #SUB 409 392 VAL B 447 430 ARG A Protein S 1 FT #SUB 409 392 VAL B 458 441 ARG A Protein S 1 FT #SUB 413 396 LEU B 109 92 THR A Protein S 1 FT #SUB 413 396 LEU B 114 97 LEU A Protein S 1 FT #SUB 413 396 LEU B 445 428 LEU A Protein S 1 FT #SUB 414 397 HIS B 106 89 THR A Protein S 2 FT #SUB 415 398 SER B 103 86 VAL A Protein A 3 FT #SUB 415 398 SER B 104 87 GLU A Protein S 2 FT #SUB 415 398 SER B 114 97 LEU A Protein S 1 FT #SUB 416 399 LEU B 103 86 VAL A Protein S 1 FT #SUB 416 399 LEU B 115 98 TYR A Protein S 1 FT #SUB 416 399 LEU B 443 426 SER A Protein A 7 FT #SUB 416 399 LEU B 444 427 CYS A Protein S 3 FT #SUB 417 400 PRO B 443 426 SER A Protein A 6 FT #SUB 420 403 GLY B 440 423 HIS A Protein B 1 FT #SUB 421 404 VAL B 440 423 HIS A Protein S 4 FT #SUB 423 406 ASN B 196 179 ARG A Protein S 2 FT #SUB 426 409 MET B 220 203 LEU A Protein S 2 FT #SUB 426 409 MET B 221 204 THR A Protein S 3 FT #SUB 426 409 MET B 222 205 PRO A Protein S 2 FT #SUB 440 423 HIS B 399 382 SER A Protein S 3 FT #SUB 440 423 HIS B 400 383 GLY A Protein S 4 FT #SUB 440 423 HIS B 420 403 GLY A Protein S 1 FT #SUB 440 423 HIS B 421 404 VAL A Protein S 6 FT #SUB 442 425 ARG B 380 363 LEU A Protein S 1 FT #SUB 442 425 ARG B 394 377 ILE A Protein S 5 FT #SUB 442 425 ARG B 397 380 THR A Protein S 8 FT #SUB 442 425 ARG B 398 381 SER A Protein S 6 FT #SUB 442 425 ARG B 399 382 SER A Protein S 12 FT #SUB 442 425 ARG B 400 383 GLY A Protein A 2 FT #SUB 442 425 ARG B 402 385 VAL A Protein S 3 FT #SUB 443 426 SER B 400 383 GLY A Protein B 1 FT #SUB 443 426 SER B 401 384 GLY A Protein B 2 FT #SUB 443 426 SER B 402 385 VAL A Protein B 3 FT #SUB 443 426 SER B 416 399 LEU A Protein S 5 FT #SUB 443 426 SER B 417 400 PRO A Protein S 6 FT #SUB 444 427 CYS B 402 385 VAL A Protein B 2 FT #SUB 444 427 CYS B 416 399 LEU A Protein B 2 FT #SUB 445 428 LEU B 402 385 VAL A Protein B 3 FT #SUB 445 428 LEU B 403 386 ALA A Protein B 2 FT #SUB 445 428 LEU B 404 387 ALA A Protein B 3 FT #SUB 445 428 LEU B 409 392 VAL A Protein S 1 FT #SUB 445 428 LEU B 410 393 HIS A Protein S 1 FT #SUB 447 430 ARG B 404 387 ALA A Protein A 4 FT #SUB 447 430 ARG B 405 388 ASN A Protein B 3 FT #SUB 447 430 ARG B 406 389 ASP A Protein S 5 FT #SUB 447 430 ARG B 409 392 VAL A Protein S 1 FT #SUB 448 431 PRO B 247 230 ARG A Protein B 1 FT #SUB 449 432 LEU B 239 222 CYS A Protein S 1 FT #SUB 449 432 LEU B 247 230 ARG A Protein S 1 FT #SUB 449 432 LEU B 384 367 SER A Protein S 1 FT #SUB 449 432 LEU B 405 388 ASN A Protein A 9 FT #SUB 450 433 MET B 243 226 VAL A Protein B 1 FT #SUB 450 433 MET B 247 230 ARG A Protein B 2 FT #SUB 455 438 LEU B 247 230 ARG A Protein S 3 FT #SUB 457 440 VAL B 73 56 TRP A Protein B 2 FT #SUB 458 441 ARG B 73 56 TRP A Protein B 1 FT #SUB 458 441 ARG B 247 230 ARG A Protein S 2 FT #SUB 458 441 ARG B 250 233 TRP A Protein A 15 FT #SUB 458 441 ARG B 406 389 ASP A Protein S 8 FT #SUB 458 441 ARG B 409 392 VAL A Protein S 1 FT #SUB 459 442 TYR B 246 229 ARG A Protein S 1 FT #SUB 459 442 TYR B 247 230 ARG A Protein S 1 FT #SUB 459 442 TYR B 250 233 TRP A Protein S 5 FT #SUB 459 442 TYR B 287 270 PHE A Protein S 5 FT #SUB 460 443 PRO B 286 269 GLU A Protein B 1 FT #SUB 460 443 PRO B 287 270 PHE A Protein A 9 FT #SUB 460 443 PRO B 297 280 ASP A Protein S 2 FT #SUB 461 444 PRO B 286 269 GLU A Protein S 1 FT #SUB 461 444 PRO B 287 270 PHE A Protein A 2 FT #SUB 461 444 PRO B 297 280 ASP A Protein B 2 FT #SUB 462 445 SER B 71 54 ASN A Protein S 1 FT #SUB 462 445 SER B 73 56 TRP A Protein S 5 FT #SUB 462 445 SER B 296 279 ARG A Protein A 3 FT #SUB 462 445 SER B 297 280 ASP A Protein A 8 FT #SUB 463 446 PRO B 73 56 TRP A Protein S 3 FT #SUB 463 446 PRO B 296 279 ARG A Protein B 1 FT #SUB 237 220 LYS B 55 38 GLU E Protein S 9 FT #SUB 362 345 ARG B 55 38 GLU E Protein B 1 FT #SUB 362 345 ARG B 172 155 GLN E Protein S 12 FT #SUB 362 345 ARG B 173 156 TYR E Protein B 2 FT #SUB 363 346 SER B 172 155 GLN E Protein S 3 FT #SUB 363 346 SER B 173 156 TYR E Protein S 1 FT #SUB 364 347 LEU B 51 34 ARG E Protein S 4 FT #SUB 365 348 GLU B 48 31 ALA E Protein S 2 FT #SUB 365 348 GLU B 51 34 ARG E Protein S 9 FT #SUB 365 348 GLU B 173 156 TYR E Protein S 3 FT #SUB 388 371 LYS B 47 30 GLU E Protein S 1 FT #SUB 392 375 LYS B 44 27 GLN E Protein S 2 FT #SUB 396 379 GLU B 44 27 GLN E Protein S 1 FT #HET 78 61 GLU B 2 501 04T B A 8 FT #HET 82 65 TYR B 2 501 04T B S 13 FT #HET 131 114 ASN B 2 501 04T B S 1 FT #HET 132 115 TYR B 2 501 04T B S 19 FT #HET 135 118 ASN B 2 501 04T B S 12 FT #HET 136 119 LEU B 2 501 04T B S 3 FT #HET 250 233 TRP B 2 501 04T B S 6 FT #HET 254 237 MET B 2 501 04T B S 1 FT #HET 259 242 THR B 2 501 04T B S 2 FT #HET 260 243 CYS B 2 501 04T B A 9 FT #HET 261 244 VAL B 2 501 04T B A 5 FT #HET 408 391 ILE B 2 501 04T B S 2 FT #HET 409 392 VAL B 2 501 04T B S 2 FT #HET 411 394 ILE B 2 501 04T B S 4 FT #HET 412 395 THR B 2 501 04T B S 4 FT #HET 418 401 PHE B 2 501 04T B S 2 FT #HET 458 441 ARG B 1 501 04T A S 2 FT DISORDER 1 17 FT DISORDER 464 469 CC SEQUENCE 446 AA (ATOM); CC SKISEAVKRA RAAFSSGRTR PLQFRIQQLE ALQRLIQEQE QELVGALAAD LHKNEWNAYY CC EEVVYVLEEI EYMIQKLPEW AADEPVEKTP QTQQDELYIH SEPLGVVLVI GTWNYPFNLT CC IQPMVGAIAA GNAVVLKPSE LSENMASLLA TIIPQYLDKD LYPVINGGVP ETTELLKERF CC DHILYTGSTG VGKIIMTAAA KHLTPVTLEL GGKSPCYVDK NCDLDVACRR IAWGKFMNSG CC QTCVAPDYIL CDPSIQNQIV EKLKKSLKEF YGEDAKKSRD YGRIISARHF QRVMGLIEGQ CC KVAYGGTGDA ATRYIAPTIL TDVDPQSPVM QEEIFGPVLP IVCVRSLEEA IQFINQREKP CC LALYMFSSND KVIKKMIAET SSGGVAANDV IVHITLHSLP FGGVGNSGMG SYHGKKSFET CC FSHRRSCLVR PLMNDEGLKV RYPPSP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HHHHHHSSGLVPRGSHMSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ATOM -----------------SKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ********************************* CC SEQRES RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ATOM RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ************************************************** CC SEQRES EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ATOM EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ************************************************** CC SEQRES VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ATOM VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ************************************************** CC SEQRES LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ATOM LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ************************************************** CC SEQRES GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ATOM GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ************************************************** CC SEQRES IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ATOM IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ************************************************** CC SEQRES IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ATOM IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ************************************************** CC SEQRES GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ATOM GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ************************************************** CC SEQRES NDEGLKVRYPPSPAKMTQH CC ATOM NDEGLKVRYPPSP------ CC ************* SQ SEQUENCE 469 AA; MW; CN; HHHHHHSSGL VPRGSHMSKI SEAVKRARAA FSSGRTRPLQ FRIQQLEALQ RLIQEQEQEL VGALAADLHK NEWNAYYEEV VYVLEEIEYM IQKLPEWAAD EPVEKTPQTQ QDELYIHSEP LGVVLVIGTW NYPFNLTIQP MVGAIAAGNA VVLKPSELSE NMASLLATII PQYLDKDLYP VINGGVPETT ELLKERFDHI LYTGSTGVGK IIMTAAAKHL TPVTLELGGK SPCYVDKNCD LDVACRRIAW GKFMNSGQTC VAPDYILCDP SIQNQIVEKL KKSLKEFYGE DAKKSRDYGR IISARHFQRV MGLIEGQKVA YGGTGDAATR YIAPTILTDV DPQSPVMQEE IFGPVLPIVC VRSLEEAIQF INQREKPLAL YMFSSNDKVI KKMIAETSSG GVAANDVIVH ITLHSLPFGG VGNSGMGSYH GKKSFETFSH RRSCLVRPLM NDEGLKVRYP PSPAKMTQH // ID 4H80C STANDARD; PRT; 469 AA. DT CONVERTED FROM PDB (SEQRES) 4H80 DE Aldehyde dehydrogenase, dimeric NADP-preferring OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.235 FT #SUB 37 20 ARG C 395 378 ALA G Protein S 3 FT #SUB 73 56 TRP C 457 440 VAL G Protein S 2 FT #SUB 73 56 TRP C 458 441 ARG G Protein S 1 FT #SUB 73 56 TRP C 462 445 SER G Protein S 4 FT #SUB 103 86 VAL C 415 398 SER G Protein S 4 FT #SUB 103 86 VAL C 416 399 LEU G Protein S 1 FT #SUB 104 87 GLU C 415 398 SER G Protein B 3 FT #SUB 109 92 THR C 413 396 LEU G Protein S 1 FT #SUB 113 96 GLU C 391 374 LYS G Protein S 1 FT #SUB 114 97 LEU C 413 396 LEU G Protein S 1 FT #SUB 114 97 LEU C 415 398 SER G Protein S 1 FT #SUB 115 98 TYR C 394 377 ILE G Protein S 1 FT #SUB 115 98 TYR C 416 399 LEU G Protein B 1 FT #SUB 117 100 HIS C 394 377 ILE G Protein S 3 FT #SUB 119 102 GLU C 397 380 THR G Protein S 1 FT #SUB 119 102 GLU C 398 381 SER G Protein S 4 FT #SUB 119 102 GLU C 399 382 SER G Protein S 2 FT #SUB 121 104 LEU C 376 359 LYS G Protein B 1 FT #SUB 196 179 ARG C 375 358 GLU G Protein S 7 FT #SUB 196 179 ARG C 423 406 ASN G Protein S 1 FT #SUB 206 189 THR C 220 203 LEU G Protein A 2 FT #SUB 209 192 GLY C 220 203 LEU G Protein B 2 FT #SUB 210 193 LYS C 217 200 ALA G Protein A 5 FT #SUB 210 193 LYS C 218 201 LYS G Protein S 4 FT #SUB 210 193 LYS C 220 203 LEU G Protein A 4 FT #SUB 213 196 MET C 217 200 ALA G Protein S 3 FT #SUB 213 196 MET C 221 204 THR G Protein S 1 FT #SUB 214 197 THR C 217 200 ALA G Protein A 2 FT #SUB 217 200 ALA C 210 193 LYS G Protein A 5 FT #SUB 217 200 ALA C 213 196 MET G Protein A 3 FT #SUB 217 200 ALA C 214 197 THR G Protein S 2 FT #SUB 218 201 LYS C 210 193 LYS G Protein B 4 FT #SUB 220 203 LEU C 206 189 THR G Protein S 2 FT #SUB 220 203 LEU C 209 192 GLY G Protein S 2 FT #SUB 220 203 LEU C 210 193 LYS G Protein S 3 FT #SUB 220 203 LEU C 225 208 LEU G Protein S 1 FT #SUB 220 203 LEU C 227 210 LEU G Protein S 1 FT #SUB 220 203 LEU C 426 409 MET G Protein B 2 FT #SUB 221 204 THR C 213 196 MET G Protein B 1 FT #SUB 221 204 THR C 426 409 MET G Protein B 2 FT #SUB 222 205 PRO C 426 409 MET G Protein B 2 FT #SUB 225 208 LEU C 220 203 LEU G Protein S 1 FT #SUB 227 210 LEU C 220 203 LEU G Protein S 1 FT #SUB 239 222 CYS C 449 432 LEU G Protein S 2 FT #SUB 240 223 ASP C 449 432 LEU G Protein B 1 FT #SUB 246 229 ARG C 456 439 LYS G Protein S 3 FT #SUB 246 229 ARG C 459 442 TYR G Protein S 3 FT #SUB 247 230 ARG C 448 431 PRO G Protein S 1 FT #SUB 247 230 ARG C 450 433 MET G Protein S 1 FT #SUB 247 230 ARG C 455 438 LEU G Protein S 1 FT #SUB 247 230 ARG C 458 441 ARG G Protein S 1 FT #SUB 247 230 ARG C 459 442 TYR G Protein S 1 FT #SUB 250 233 TRP C 458 441 ARG G Protein S 21 FT #SUB 250 233 TRP C 459 442 TYR G Protein S 5 FT #SUB 286 269 GLU C 461 444 PRO G Protein B 2 FT #SUB 287 270 PHE C 459 442 TYR G Protein S 4 FT #SUB 287 270 PHE C 460 443 PRO G Protein A 8 FT #SUB 287 270 PHE C 461 444 PRO G Protein B 5 FT #SUB 296 279 ARG C 462 445 SER G Protein S 2 FT #SUB 297 280 ASP C 461 444 PRO G Protein S 7 FT #SUB 297 280 ASP C 462 445 SER G Protein S 6 FT #SUB 375 358 GLU C 196 179 ARG G Protein S 5 FT #SUB 376 359 LYS C 121 104 LEU G Protein S 1 FT #SUB 380 363 LEU C 442 425 ARG G Protein S 1 FT #SUB 383 366 PHE C 449 432 LEU G Protein S 1 FT #SUB 391 374 LYS C 113 96 GLU G Protein S 1 FT #SUB 394 377 ILE C 115 98 TYR G Protein S 1 FT #SUB 394 377 ILE C 117 100 HIS G Protein S 1 FT #SUB 394 377 ILE C 442 425 ARG G Protein B 3 FT #SUB 395 378 ALA C 37 20 ARG G Protein B 3 FT #SUB 397 380 THR C 119 102 GLU G Protein B 1 FT #SUB 397 380 THR C 442 425 ARG G Protein A 8 FT #SUB 398 381 SER C 119 102 GLU G Protein A 4 FT #SUB 398 381 SER C 442 425 ARG G Protein B 7 FT #SUB 399 382 SER C 119 102 GLU G Protein B 1 FT #SUB 399 382 SER C 440 423 HIS G Protein B 3 FT #SUB 399 382 SER C 442 425 ARG G Protein A 14 FT #SUB 400 383 GLY C 440 423 HIS G Protein B 4 FT #SUB 400 383 GLY C 442 425 ARG G Protein B 2 FT #SUB 400 383 GLY C 443 426 SER G Protein B 1 FT #SUB 401 384 GLY C 443 426 SER G Protein B 2 FT #SUB 402 385 VAL C 442 425 ARG G Protein S 3 FT #SUB 402 385 VAL C 443 426 SER G Protein B 4 FT #SUB 402 385 VAL C 444 427 CYS G Protein B 2 FT #SUB 402 385 VAL C 445 428 LEU G Protein B 5 FT #SUB 403 386 ALA C 445 428 LEU G Protein B 2 FT #SUB 404 387 ALA C 445 428 LEU G Protein A 5 FT #SUB 404 387 ALA C 446 429 VAL G Protein A 3 FT #SUB 404 387 ALA C 447 430 ARG G Protein B 5 FT #SUB 405 388 ASN C 447 430 ARG G Protein S 4 FT #SUB 405 388 ASN C 449 432 LEU G Protein S 7 FT #SUB 406 389 ASP C 447 430 ARG G Protein S 7 FT #SUB 406 389 ASP C 458 441 ARG G Protein S 8 FT #SUB 409 392 VAL C 445 428 LEU G Protein S 1 FT #SUB 409 392 VAL C 447 430 ARG G Protein S 3 FT #SUB 409 392 VAL C 458 441 ARG G Protein S 1 FT #SUB 410 393 HIS C 445 428 LEU G Protein A 3 FT #SUB 413 396 LEU C 109 92 THR G Protein S 1 FT #SUB 413 396 LEU C 114 97 LEU G Protein S 1 FT #SUB 415 398 SER C 103 86 VAL G Protein S 1 FT #SUB 415 398 SER C 104 87 GLU G Protein S 3 FT #SUB 415 398 SER C 114 97 LEU G Protein S 1 FT #SUB 416 399 LEU C 103 86 VAL G Protein S 1 FT #SUB 416 399 LEU C 115 98 TYR G Protein S 1 FT #SUB 416 399 LEU C 443 426 SER G Protein A 5 FT #SUB 417 400 PRO C 443 426 SER G Protein A 6 FT #SUB 420 403 GLY C 440 423 HIS G Protein B 1 FT #SUB 421 404 VAL C 440 423 HIS G Protein S 10 FT #SUB 423 406 ASN C 196 179 ARG G Protein S 1 FT #SUB 426 409 MET C 220 203 LEU G Protein S 2 FT #SUB 426 409 MET C 221 204 THR G Protein S 2 FT #SUB 426 409 MET C 222 205 PRO G Protein S 2 FT #SUB 440 423 HIS C 399 382 SER G Protein S 3 FT #SUB 440 423 HIS C 400 383 GLY G Protein S 4 FT #SUB 440 423 HIS C 420 403 GLY G Protein S 1 FT #SUB 440 423 HIS C 421 404 VAL G Protein S 9 FT #SUB 442 425 ARG C 380 363 LEU G Protein S 1 FT #SUB 442 425 ARG C 394 377 ILE G Protein S 4 FT #SUB 442 425 ARG C 397 380 THR G Protein S 7 FT #SUB 442 425 ARG C 398 381 SER G Protein S 6 FT #SUB 442 425 ARG C 399 382 SER G Protein S 14 FT #SUB 442 425 ARG C 400 383 GLY G Protein A 2 FT #SUB 442 425 ARG C 402 385 VAL G Protein S 3 FT #SUB 443 426 SER C 400 383 GLY G Protein B 1 FT #SUB 443 426 SER C 401 384 GLY G Protein B 2 FT #SUB 443 426 SER C 402 385 VAL G Protein B 5 FT #SUB 443 426 SER C 416 399 LEU G Protein S 6 FT #SUB 443 426 SER C 417 400 PRO G Protein S 6 FT #SUB 444 427 CYS C 402 385 VAL G Protein B 2 FT #SUB 444 427 CYS C 416 399 LEU G Protein B 1 FT #SUB 445 428 LEU C 402 385 VAL G Protein B 3 FT #SUB 445 428 LEU C 403 386 ALA G Protein B 3 FT #SUB 445 428 LEU C 404 387 ALA G Protein B 5 FT #SUB 445 428 LEU C 409 392 VAL G Protein S 1 FT #SUB 445 428 LEU C 410 393 HIS G Protein S 3 FT #SUB 446 429 VAL C 404 387 ALA G Protein A 3 FT #SUB 447 430 ARG C 404 387 ALA G Protein A 5 FT #SUB 447 430 ARG C 405 388 ASN G Protein B 3 FT #SUB 447 430 ARG C 406 389 ASP G Protein S 7 FT #SUB 447 430 ARG C 409 392 VAL G Protein S 3 FT #SUB 448 431 PRO C 247 230 ARG G Protein B 1 FT #SUB 449 432 LEU C 239 222 CYS G Protein S 2 FT #SUB 449 432 LEU C 240 223 ASP G Protein S 1 FT #SUB 449 432 LEU C 247 230 ARG G Protein S 1 FT #SUB 449 432 LEU C 383 366 PHE G Protein S 1 FT #SUB 449 432 LEU C 405 388 ASN G Protein A 7 FT #SUB 450 433 MET C 243 226 VAL G Protein B 1 FT #SUB 450 433 MET C 247 230 ARG G Protein B 2 FT #SUB 455 438 LEU C 247 230 ARG G Protein S 1 FT #SUB 457 440 VAL C 73 56 TRP G Protein B 2 FT #SUB 458 441 ARG C 73 56 TRP G Protein B 1 FT #SUB 458 441 ARG C 247 230 ARG G Protein S 1 FT #SUB 458 441 ARG C 250 233 TRP G Protein A 8 FT #SUB 458 441 ARG C 406 389 ASP G Protein S 6 FT #SUB 458 441 ARG C 409 392 VAL G Protein S 1 FT #SUB 459 442 TYR C 247 230 ARG G Protein S 1 FT #SUB 459 442 TYR C 250 233 TRP G Protein S 5 FT #SUB 459 442 TYR C 287 270 PHE G Protein S 4 FT #SUB 460 443 PRO C 287 270 PHE G Protein A 7 FT #SUB 460 443 PRO C 297 280 ASP G Protein S 1 FT #SUB 461 444 PRO C 286 269 GLU G Protein S 2 FT #SUB 461 444 PRO C 287 270 PHE G Protein A 3 FT #SUB 461 444 PRO C 297 280 ASP G Protein B 4 FT #SUB 462 445 SER C 71 54 ASN G Protein S 1 FT #SUB 462 445 SER C 73 56 TRP G Protein S 5 FT #SUB 462 445 SER C 296 279 ARG G Protein S 3 FT #SUB 462 445 SER C 297 280 ASP G Protein A 8 FT #SUB 362 345 ARG C 168 151 THR H Protein S 1 FT #SUB 362 345 ARG C 171 154 PRO H Protein S 1 FT #SUB 362 345 ARG C 172 155 GLN H Protein S 6 FT #SUB 362 345 ARG C 176 159 LYS H Protein S 5 FT #SUB 366 349 GLU C 176 159 LYS H Protein S 9 FT #SUB 369 352 GLN C 177 160 ASP H Protein S 1 FT #HET 77 60 TYR C 3 501 04T C B 1 FT #HET 78 61 GLU C 3 501 04T C A 11 FT #HET 82 65 TYR C 3 501 04T C S 11 FT #HET 131 114 ASN C 3 501 04T C S 1 FT #HET 132 115 TYR C 3 501 04T C S 29 FT #HET 135 118 ASN C 3 501 04T C S 9 FT #HET 136 119 LEU C 3 501 04T C S 3 FT #HET 250 233 TRP C 3 501 04T C S 6 FT #HET 254 237 MET C 3 501 04T C S 1 FT #HET 259 242 THR C 3 501 04T C S 3 FT #HET 260 243 CYS C 3 501 04T C A 11 FT #HET 261 244 VAL C 3 501 04T C A 3 FT #HET 408 391 ILE C 3 501 04T C S 2 FT #HET 409 392 VAL C 3 501 04T C S 1 FT #HET 411 394 ILE C 3 501 04T C S 3 FT #HET 412 395 THR C 3 501 04T C S 5 FT #HET 418 401 PHE C 3 501 04T C S 2 FT #HET 458 441 ARG C 7 501 04T G S 1 FT DISORDER 1 17 FT DISORDER 465 469 CC SEQUENCE 447 AA (ATOM); CC SKISEAVKRA RAAFSSGRTR PLQFRIQQLE ALQRLIQEQE QELVGALAAD LHKNEWNAYY CC EEVVYVLEEI EYMIQKLPEW AADEPVEKTP QTQQDELYIH SEPLGVVLVI GTWNYPFNLT CC IQPMVGAIAA GNAVVLKPSE LSENMASLLA TIIPQYLDKD LYPVINGGVP ETTELLKERF CC DHILYTGSTG VGKIIMTAAA KHLTPVTLEL GGKSPCYVDK NCDLDVACRR IAWGKFMNSG CC QTCVAPDYIL CDPSIQNQIV EKLKKSLKEF YGEDAKKSRD YGRIISARHF QRVMGLIEGQ CC KVAYGGTGDA ATRYIAPTIL TDVDPQSPVM QEEIFGPVLP IVCVRSLEEA IQFINQREKP CC LALYMFSSND KVIKKMIAET SSGGVAANDV IVHITLHSLP FGGVGNSGMG SYHGKKSFET CC FSHRRSCLVR PLMNDEGLKV RYPPSPA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HHHHHHSSGLVPRGSHMSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ATOM -----------------SKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ********************************* CC SEQRES RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ATOM RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ************************************************** CC SEQRES EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ATOM EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ************************************************** CC SEQRES VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ATOM VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ************************************************** CC SEQRES LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ATOM LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ************************************************** CC SEQRES GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ATOM GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ************************************************** CC SEQRES IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ATOM IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ************************************************** CC SEQRES IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ATOM IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ************************************************** CC SEQRES GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ATOM GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ************************************************** CC SEQRES NDEGLKVRYPPSPAKMTQH CC ATOM NDEGLKVRYPPSPA----- CC ************** SQ SEQUENCE 469 AA; MW; CN; HHHHHHSSGL VPRGSHMSKI SEAVKRARAA FSSGRTRPLQ FRIQQLEALQ RLIQEQEQEL VGALAADLHK NEWNAYYEEV VYVLEEIEYM IQKLPEWAAD EPVEKTPQTQ QDELYIHSEP LGVVLVIGTW NYPFNLTIQP MVGAIAAGNA VVLKPSELSE NMASLLATII PQYLDKDLYP VINGGVPETT ELLKERFDHI LYTGSTGVGK IIMTAAAKHL TPVTLELGGK SPCYVDKNCD LDVACRRIAW GKFMNSGQTC VAPDYILCDP SIQNQIVEKL KKSLKEFYGE DAKKSRDYGR IISARHFQRV MGLIEGQKVA YGGTGDAATR YIAPTILTDV DPQSPVMQEE IFGPVLPIVC VRSLEEAIQF INQREKPLAL YMFSSNDKVI KKMIAETSSG GVAANDVIVH ITLHSLPFGG VGNSGMGSYH GKKSFETFSH RRSCLVRPLM NDEGLKVRYP PSPAKMTQH // ID 4H80D STANDARD; PRT; 469 AA. DT CONVERTED FROM PDB (SEQRES) 4H80 DE Aldehyde dehydrogenase, dimeric NADP-preferring OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.235 FT #SUB 237 220 LYS D 55 38 GLU A Protein S 10 FT #SUB 362 345 ARG D 172 155 GLN A Protein A 9 FT #SUB 362 345 ARG D 173 156 TYR A Protein B 2 FT #SUB 363 346 SER D 172 155 GLN A Protein S 3 FT #SUB 363 346 SER D 173 156 TYR A Protein S 1 FT #SUB 364 347 LEU D 51 34 ARG A Protein S 4 FT #SUB 365 348 GLU D 48 31 ALA A Protein S 1 FT #SUB 365 348 GLU D 51 34 ARG A Protein S 9 FT #SUB 365 348 GLU D 172 155 GLN A Protein S 1 FT #SUB 365 348 GLU D 173 156 TYR A Protein S 4 FT #SUB 366 349 GLU D 172 155 GLN A Protein S 1 FT #SUB 388 371 LYS D 47 30 GLU A Protein S 3 FT #SUB 389 372 VAL D 51 34 ARG A Protein S 1 FT #SUB 396 379 GLU D 44 27 GLN A Protein S 1 FT #SUB 37 20 ARG D 395 378 ALA E Protein S 3 FT #SUB 73 56 TRP D 462 445 SER E Protein S 5 FT #SUB 73 56 TRP D 463 446 PRO E Protein S 1 FT #SUB 103 86 VAL D 415 398 SER E Protein S 4 FT #SUB 103 86 VAL D 416 399 LEU E Protein S 1 FT #SUB 104 87 GLU D 414 397 HIS E Protein S 1 FT #SUB 104 87 GLU D 415 398 SER E Protein B 3 FT #SUB 106 89 THR D 414 397 HIS E Protein S 1 FT #SUB 109 92 THR D 413 396 LEU E Protein S 1 FT #SUB 113 96 GLU D 391 374 LYS E Protein S 1 FT #SUB 114 97 LEU D 413 396 LEU E Protein S 1 FT #SUB 115 98 TYR D 394 377 ILE E Protein S 1 FT #SUB 115 98 TYR D 416 399 LEU E Protein B 1 FT #SUB 116 99 ILE D 417 400 PRO E Protein S 1 FT #SUB 117 100 HIS D 394 377 ILE E Protein S 3 FT #SUB 119 102 GLU D 397 380 THR E Protein S 1 FT #SUB 119 102 GLU D 398 381 SER E Protein S 6 FT #SUB 119 102 GLU D 399 382 SER E Protein S 2 FT #SUB 121 104 LEU D 376 359 LYS E Protein B 1 FT #SUB 196 179 ARG D 375 358 GLU E Protein S 8 FT #SUB 196 179 ARG D 423 406 ASN E Protein S 1 FT #SUB 206 189 THR D 220 203 LEU E Protein A 2 FT #SUB 209 192 GLY D 220 203 LEU E Protein B 2 FT #SUB 210 193 LYS D 217 200 ALA E Protein A 5 FT #SUB 210 193 LYS D 218 201 LYS E Protein S 3 FT #SUB 210 193 LYS D 220 203 LEU E Protein A 3 FT #SUB 213 196 MET D 217 200 ALA E Protein A 5 FT #SUB 213 196 MET D 221 204 THR E Protein S 1 FT #SUB 214 197 THR D 217 200 ALA E Protein A 2 FT #SUB 217 200 ALA D 210 193 LYS E Protein A 5 FT #SUB 217 200 ALA D 213 196 MET E Protein A 3 FT #SUB 217 200 ALA D 214 197 THR E Protein S 2 FT #SUB 218 201 LYS D 210 193 LYS E Protein B 3 FT #SUB 220 203 LEU D 206 189 THR E Protein S 2 FT #SUB 220 203 LEU D 209 192 GLY E Protein S 2 FT #SUB 220 203 LEU D 210 193 LYS E Protein S 6 FT #SUB 220 203 LEU D 225 208 LEU E Protein S 1 FT #SUB 220 203 LEU D 227 210 LEU E Protein S 1 FT #SUB 220 203 LEU D 426 409 MET E Protein B 2 FT #SUB 221 204 THR D 213 196 MET E Protein B 1 FT #SUB 221 204 THR D 426 409 MET E Protein B 2 FT #SUB 222 205 PRO D 426 409 MET E Protein B 2 FT #SUB 225 208 LEU D 220 203 LEU E Protein S 1 FT #SUB 227 210 LEU D 220 203 LEU E Protein S 1 FT #SUB 239 222 CYS D 449 432 LEU E Protein S 2 FT #SUB 240 223 ASP D 449 432 LEU E Protein B 1 FT #SUB 243 226 VAL D 450 433 MET E Protein S 1 FT #SUB 246 229 ARG D 456 439 LYS E Protein S 3 FT #SUB 247 230 ARG D 448 431 PRO E Protein S 1 FT #SUB 247 230 ARG D 450 433 MET E Protein S 2 FT #SUB 247 230 ARG D 452 435 ASP E Protein S 1 FT #SUB 247 230 ARG D 455 438 LEU E Protein S 3 FT #SUB 247 230 ARG D 458 441 ARG E Protein S 2 FT #SUB 247 230 ARG D 459 442 TYR E Protein A 4 FT #SUB 250 233 TRP D 458 441 ARG E Protein S 16 FT #SUB 250 233 TRP D 459 442 TYR E Protein S 5 FT #SUB 286 269 GLU D 461 444 PRO E Protein B 2 FT #SUB 287 270 PHE D 459 442 TYR E Protein S 4 FT #SUB 287 270 PHE D 460 443 PRO E Protein A 13 FT #SUB 287 270 PHE D 461 444 PRO E Protein B 5 FT #SUB 296 279 ARG D 462 445 SER E Protein S 3 FT #SUB 297 280 ASP D 461 444 PRO E Protein S 2 FT #SUB 297 280 ASP D 462 445 SER E Protein S 6 FT #SUB 375 358 GLU D 196 179 ARG E Protein S 8 FT #SUB 376 359 LYS D 121 104 LEU E Protein S 1 FT #SUB 380 363 LEU D 442 425 ARG E Protein S 1 FT #SUB 383 366 PHE D 449 432 LEU E Protein S 1 FT #SUB 391 374 LYS D 113 96 GLU E Protein S 1 FT #SUB 394 377 ILE D 115 98 TYR E Protein S 1 FT #SUB 394 377 ILE D 117 100 HIS E Protein S 2 FT #SUB 394 377 ILE D 442 425 ARG E Protein A 4 FT #SUB 395 378 ALA D 37 20 ARG E Protein B 3 FT #SUB 397 380 THR D 119 102 GLU E Protein B 1 FT #SUB 397 380 THR D 442 425 ARG E Protein A 8 FT #SUB 398 381 SER D 119 102 GLU E Protein A 4 FT #SUB 398 381 SER D 442 425 ARG E Protein B 7 FT #SUB 399 382 SER D 119 102 GLU E Protein B 2 FT #SUB 399 382 SER D 440 423 HIS E Protein B 3 FT #SUB 399 382 SER D 442 425 ARG E Protein A 15 FT #SUB 400 383 GLY D 440 423 HIS E Protein B 4 FT #SUB 400 383 GLY D 442 425 ARG E Protein B 2 FT #SUB 400 383 GLY D 443 426 SER E Protein B 1 FT #SUB 401 384 GLY D 443 426 SER E Protein B 2 FT #SUB 402 385 VAL D 442 425 ARG E Protein S 3 FT #SUB 402 385 VAL D 443 426 SER E Protein B 5 FT #SUB 402 385 VAL D 444 427 CYS E Protein B 2 FT #SUB 402 385 VAL D 445 428 LEU E Protein B 5 FT #SUB 403 386 ALA D 445 428 LEU E Protein A 3 FT #SUB 404 387 ALA D 445 428 LEU E Protein A 5 FT #SUB 404 387 ALA D 446 429 VAL E Protein A 5 FT #SUB 404 387 ALA D 447 430 ARG E Protein B 5 FT #SUB 405 388 ASN D 447 430 ARG E Protein S 5 FT #SUB 405 388 ASN D 449 432 LEU E Protein S 8 FT #SUB 406 389 ASP D 447 430 ARG E Protein S 8 FT #SUB 406 389 ASP D 458 441 ARG E Protein S 9 FT #SUB 409 392 VAL D 445 428 LEU E Protein S 1 FT #SUB 409 392 VAL D 447 430 ARG E Protein S 3 FT #SUB 409 392 VAL D 458 441 ARG E Protein S 1 FT #SUB 410 393 HIS D 445 428 LEU E Protein A 3 FT #SUB 413 396 LEU D 109 92 THR E Protein S 1 FT #SUB 413 396 LEU D 114 97 LEU E Protein S 1 FT #SUB 415 398 SER D 103 86 VAL E Protein A 3 FT #SUB 415 398 SER D 104 87 GLU E Protein S 3 FT #SUB 416 399 LEU D 103 86 VAL E Protein S 1 FT #SUB 416 399 LEU D 115 98 TYR E Protein S 1 FT #SUB 416 399 LEU D 443 426 SER E Protein A 5 FT #SUB 416 399 LEU D 444 427 CYS E Protein S 1 FT #SUB 417 400 PRO D 443 426 SER E Protein A 5 FT #SUB 420 403 GLY D 440 423 HIS E Protein B 1 FT #SUB 421 404 VAL D 440 423 HIS E Protein S 11 FT #SUB 423 406 ASN D 196 179 ARG E Protein S 1 FT #SUB 426 409 MET D 220 203 LEU E Protein S 2 FT #SUB 426 409 MET D 221 204 THR E Protein S 2 FT #SUB 426 409 MET D 222 205 PRO E Protein S 2 FT #SUB 440 423 HIS D 399 382 SER E Protein S 3 FT #SUB 440 423 HIS D 400 383 GLY E Protein S 4 FT #SUB 440 423 HIS D 420 403 GLY E Protein S 1 FT #SUB 440 423 HIS D 421 404 VAL E Protein S 11 FT #SUB 442 425 ARG D 380 363 LEU E Protein S 1 FT #SUB 442 425 ARG D 394 377 ILE E Protein S 2 FT #SUB 442 425 ARG D 397 380 THR E Protein S 8 FT #SUB 442 425 ARG D 398 381 SER E Protein S 7 FT #SUB 442 425 ARG D 399 382 SER E Protein S 15 FT #SUB 442 425 ARG D 400 383 GLY E Protein A 2 FT #SUB 442 425 ARG D 402 385 VAL E Protein S 3 FT #SUB 443 426 SER D 400 383 GLY E Protein B 1 FT #SUB 443 426 SER D 401 384 GLY E Protein B 2 FT #SUB 443 426 SER D 402 385 VAL E Protein B 5 FT #SUB 443 426 SER D 416 399 LEU E Protein S 4 FT #SUB 443 426 SER D 417 400 PRO E Protein S 6 FT #SUB 444 427 CYS D 402 385 VAL E Protein B 2 FT #SUB 444 427 CYS D 416 399 LEU E Protein B 1 FT #SUB 445 428 LEU D 402 385 VAL E Protein A 5 FT #SUB 445 428 LEU D 403 386 ALA E Protein B 3 FT #SUB 445 428 LEU D 404 387 ALA E Protein B 5 FT #SUB 445 428 LEU D 409 392 VAL E Protein S 1 FT #SUB 445 428 LEU D 410 393 HIS E Protein S 4 FT #SUB 446 429 VAL D 404 387 ALA E Protein A 5 FT #SUB 447 430 ARG D 404 387 ALA E Protein A 6 FT #SUB 447 430 ARG D 405 388 ASN E Protein B 5 FT #SUB 447 430 ARG D 406 389 ASP E Protein S 9 FT #SUB 447 430 ARG D 409 392 VAL E Protein S 3 FT #SUB 448 431 PRO D 247 230 ARG E Protein B 1 FT #SUB 449 432 LEU D 239 222 CYS E Protein S 2 FT #SUB 449 432 LEU D 240 223 ASP E Protein S 2 FT #SUB 449 432 LEU D 383 366 PHE E Protein S 1 FT #SUB 449 432 LEU D 405 388 ASN E Protein A 8 FT #SUB 450 433 MET D 243 226 VAL E Protein B 1 FT #SUB 450 433 MET D 247 230 ARG E Protein B 2 FT #SUB 451 434 ASN D 243 226 VAL E Protein B 1 FT #SUB 452 435 ASP D 247 230 ARG E Protein A 2 FT #SUB 457 440 VAL D 73 56 TRP E Protein B 2 FT #SUB 458 441 ARG D 73 56 TRP E Protein B 1 FT #SUB 458 441 ARG D 247 230 ARG E Protein S 1 FT #SUB 458 441 ARG D 250 233 TRP E Protein A 20 FT #SUB 458 441 ARG D 406 389 ASP E Protein S 8 FT #SUB 458 441 ARG D 409 392 VAL E Protein S 1 FT #SUB 459 442 TYR D 246 229 ARG E Protein S 7 FT #SUB 459 442 TYR D 247 230 ARG E Protein S 2 FT #SUB 459 442 TYR D 250 233 TRP E Protein S 5 FT #SUB 459 442 TYR D 287 270 PHE E Protein S 4 FT #SUB 460 443 PRO D 286 269 GLU E Protein B 1 FT #SUB 460 443 PRO D 287 270 PHE E Protein A 11 FT #SUB 460 443 PRO D 288 271 TYR E Protein S 2 FT #SUB 461 444 PRO D 286 269 GLU E Protein S 2 FT #SUB 461 444 PRO D 287 270 PHE E Protein A 3 FT #SUB 461 444 PRO D 297 280 ASP E Protein A 5 FT #SUB 462 445 SER D 71 54 ASN E Protein S 1 FT #SUB 462 445 SER D 73 56 TRP E Protein S 5 FT #SUB 462 445 SER D 297 280 ASP E Protein A 8 FT #SUB 463 446 PRO D 73 56 TRP E Protein S 4 FT #SUB 107 90 PRO D 160 143 GLU F Protein S 5 FT #SUB 107 90 PRO D 161 144 ASN F Protein S 2 FT #SUB 107 90 PRO D 164 147 SER F Protein B 4 FT #SUB 108 91 GLN D 164 147 SER F Protein B 2 FT #SUB 110 93 GLN D 161 144 ASN F Protein S 2 FT #SUB 111 94 GLN D 165 148 LEU F Protein S 2 FT #SUB 111 94 GLN D 168 151 THR F Protein S 3 FT #SUB 111 94 GLN D 169 152 ILE F Protein S 1 FT #SUB 450 433 MET D 172 155 GLN F Protein S 2 FT #SUB 451 434 ASN D 176 159 LYS F Protein S 5 FT #SUB 453 436 GLU D 171 154 PRO F Protein S 3 FT #SUB 453 436 GLU D 176 159 LYS F Protein S 2 FT #SUB 453 436 GLU D 180 163 PRO F Protein S 1 FT #SUB 453 436 GLU D 181 164 VAL F Protein S 1 FT #SUB 454 437 GLY D 167 150 ALA F Protein B 1 FT #SUB 454 437 GLY D 183 166 ASN F Protein B 1 FT #SUB 456 439 LYS D 19 2 LYS F Protein B 3 FT #SUB 457 440 VAL D 19 2 LYS F Protein B 1 FT #SUB 459 442 TYR D 19 2 LYS F Protein B 2 FT #SUB 461 444 PRO D 19 2 LYS F Protein B 1 FT #HET 78 61 GLU D 4 501 04T D A 11 FT #HET 79 62 GLU D 4 501 04T D B 1 FT #HET 82 65 TYR D 4 501 04T D S 14 FT #HET 131 114 ASN D 4 501 04T D S 1 FT #HET 132 115 TYR D 4 501 04T D S 26 FT #HET 135 118 ASN D 4 501 04T D S 12 FT #HET 136 119 LEU D 4 501 04T D S 5 FT #HET 250 233 TRP D 4 501 04T D S 6 FT #HET 254 237 MET D 4 501 04T D S 1 FT #HET 259 242 THR D 4 501 04T D A 3 FT #HET 260 243 CYS D 4 501 04T D A 13 FT #HET 261 244 VAL D 4 501 04T D A 6 FT #HET 409 392 VAL D 4 501 04T D S 1 FT #HET 411 394 ILE D 4 501 04T D S 4 FT #HET 412 395 THR D 4 501 04T D S 4 FT #HET 418 401 PHE D 4 501 04T D S 2 FT #HET 458 441 ARG D 5 501 04T E S 1 FT DISORDER 1 17 FT DISORDER 464 469 CC SEQUENCE 446 AA (ATOM); CC SKISEAVKRA RAAFSSGRTR PLQFRIQQLE ALQRLIQEQE QELVGALAAD LHKNEWNAYY CC EEVVYVLEEI EYMIQKLPEW AADEPVEKTP QTQQDELYIH SEPLGVVLVI GTWNYPFNLT CC IQPMVGAIAA GNAVVLKPSE LSENMASLLA TIIPQYLDKD LYPVINGGVP ETTELLKERF CC DHILYTGSTG VGKIIMTAAA KHLTPVTLEL GGKSPCYVDK NCDLDVACRR IAWGKFMNSG CC QTCVAPDYIL CDPSIQNQIV EKLKKSLKEF YGEDAKKSRD YGRIISARHF QRVMGLIEGQ CC KVAYGGTGDA ATRYIAPTIL TDVDPQSPVM QEEIFGPVLP IVCVRSLEEA IQFINQREKP CC LALYMFSSND KVIKKMIAET SSGGVAANDV IVHITLHSLP FGGVGNSGMG SYHGKKSFET CC FSHRRSCLVR PLMNDEGLKV RYPPSP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HHHHHHSSGLVPRGSHMSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ATOM -----------------SKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ********************************* CC SEQRES RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ATOM RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ************************************************** CC SEQRES EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ATOM EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ************************************************** CC SEQRES VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ATOM VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ************************************************** CC SEQRES LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ATOM LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ************************************************** CC SEQRES GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ATOM GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ************************************************** CC SEQRES IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ATOM IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ************************************************** CC SEQRES IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ATOM IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ************************************************** CC SEQRES GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ATOM GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ************************************************** CC SEQRES NDEGLKVRYPPSPAKMTQH CC ATOM NDEGLKVRYPPSP------ CC ************* SQ SEQUENCE 469 AA; MW; CN; HHHHHHSSGL VPRGSHMSKI SEAVKRARAA FSSGRTRPLQ FRIQQLEALQ RLIQEQEQEL VGALAADLHK NEWNAYYEEV VYVLEEIEYM IQKLPEWAAD EPVEKTPQTQ QDELYIHSEP LGVVLVIGTW NYPFNLTIQP MVGAIAAGNA VVLKPSELSE NMASLLATII PQYLDKDLYP VINGGVPETT ELLKERFDHI LYTGSTGVGK IIMTAAAKHL TPVTLELGGK SPCYVDKNCD LDVACRRIAW GKFMNSGQTC VAPDYILCDP SIQNQIVEKL KKSLKEFYGE DAKKSRDYGR IISARHFQRV MGLIEGQKVA YGGTGDAATR YIAPTILTDV DPQSPVMQEE IFGPVLPIVC VRSLEEAIQF INQREKPLAL YMFSSNDKVI KKMIAETSSG GVAANDVIVH ITLHSLPFGG VGNSGMGSYH GKKSFETFSH RRSCLVRPLM NDEGLKVRYP PSPAKMTQH // ID 4H80E STANDARD; PRT; 469 AA. DT CONVERTED FROM PDB (SEQRES) 4H80 DE Aldehyde dehydrogenase, dimeric NADP-preferring OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.235 FT #SUB 44 27 GLN E 392 375 LYS B Protein S 2 FT #SUB 44 27 GLN E 396 379 GLU B Protein S 1 FT #SUB 47 30 GLU E 388 371 LYS B Protein S 1 FT #SUB 48 31 ALA E 365 348 GLU B Protein A 2 FT #SUB 51 34 ARG E 364 347 LEU B Protein S 4 FT #SUB 51 34 ARG E 365 348 GLU B Protein S 9 FT #SUB 55 38 GLU E 237 220 LYS B Protein A 9 FT #SUB 55 38 GLU E 362 345 ARG B Protein S 1 FT #SUB 172 155 GLN E 362 345 ARG B Protein S 12 FT #SUB 172 155 GLN E 363 346 SER B Protein B 3 FT #SUB 173 156 TYR E 362 345 ARG B Protein S 2 FT #SUB 173 156 TYR E 363 346 SER B Protein S 1 FT #SUB 173 156 TYR E 365 348 GLU B Protein B 3 FT #SUB 37 20 ARG E 395 378 ALA D Protein S 3 FT #SUB 71 54 ASN E 462 445 SER D Protein S 1 FT #SUB 73 56 TRP E 457 440 VAL D Protein S 2 FT #SUB 73 56 TRP E 458 441 ARG D Protein S 1 FT #SUB 73 56 TRP E 462 445 SER D Protein S 5 FT #SUB 73 56 TRP E 463 446 PRO D Protein S 4 FT #SUB 103 86 VAL E 415 398 SER D Protein S 3 FT #SUB 103 86 VAL E 416 399 LEU D Protein S 1 FT #SUB 104 87 GLU E 415 398 SER D Protein B 3 FT #SUB 109 92 THR E 413 396 LEU D Protein S 1 FT #SUB 113 96 GLU E 391 374 LYS D Protein S 1 FT #SUB 114 97 LEU E 413 396 LEU D Protein S 1 FT #SUB 115 98 TYR E 394 377 ILE D Protein S 1 FT #SUB 115 98 TYR E 416 399 LEU D Protein B 1 FT #SUB 117 100 HIS E 394 377 ILE D Protein S 2 FT #SUB 119 102 GLU E 397 380 THR D Protein S 1 FT #SUB 119 102 GLU E 398 381 SER D Protein S 4 FT #SUB 119 102 GLU E 399 382 SER D Protein S 2 FT #SUB 121 104 LEU E 376 359 LYS D Protein B 1 FT #SUB 196 179 ARG E 375 358 GLU D Protein S 8 FT #SUB 196 179 ARG E 423 406 ASN D Protein S 1 FT #SUB 206 189 THR E 220 203 LEU D Protein A 2 FT #SUB 209 192 GLY E 220 203 LEU D Protein B 2 FT #SUB 210 193 LYS E 217 200 ALA D Protein A 5 FT #SUB 210 193 LYS E 218 201 LYS D Protein S 3 FT #SUB 210 193 LYS E 220 203 LEU D Protein A 6 FT #SUB 213 196 MET E 217 200 ALA D Protein S 3 FT #SUB 213 196 MET E 221 204 THR D Protein S 1 FT #SUB 214 197 THR E 217 200 ALA D Protein A 2 FT #SUB 217 200 ALA E 210 193 LYS D Protein A 5 FT #SUB 217 200 ALA E 213 196 MET D Protein A 5 FT #SUB 217 200 ALA E 214 197 THR D Protein S 2 FT #SUB 218 201 LYS E 210 193 LYS D Protein B 3 FT #SUB 220 203 LEU E 206 189 THR D Protein S 2 FT #SUB 220 203 LEU E 209 192 GLY D Protein S 2 FT #SUB 220 203 LEU E 210 193 LYS D Protein S 3 FT #SUB 220 203 LEU E 225 208 LEU D Protein S 1 FT #SUB 220 203 LEU E 227 210 LEU D Protein S 1 FT #SUB 220 203 LEU E 426 409 MET D Protein B 2 FT #SUB 221 204 THR E 213 196 MET D Protein B 1 FT #SUB 221 204 THR E 426 409 MET D Protein B 2 FT #SUB 222 205 PRO E 426 409 MET D Protein B 2 FT #SUB 225 208 LEU E 220 203 LEU D Protein S 1 FT #SUB 227 210 LEU E 220 203 LEU D Protein S 1 FT #SUB 239 222 CYS E 449 432 LEU D Protein S 2 FT #SUB 240 223 ASP E 449 432 LEU D Protein B 2 FT #SUB 243 226 VAL E 450 433 MET D Protein S 1 FT #SUB 243 226 VAL E 451 434 ASN D Protein S 1 FT #SUB 246 229 ARG E 459 442 TYR D Protein A 7 FT #SUB 247 230 ARG E 448 431 PRO D Protein S 1 FT #SUB 247 230 ARG E 450 433 MET D Protein S 2 FT #SUB 247 230 ARG E 452 435 ASP D Protein S 2 FT #SUB 247 230 ARG E 458 441 ARG D Protein S 1 FT #SUB 247 230 ARG E 459 442 TYR D Protein A 2 FT #SUB 250 233 TRP E 458 441 ARG D Protein S 20 FT #SUB 250 233 TRP E 459 442 TYR D Protein S 5 FT #SUB 286 269 GLU E 460 443 PRO D Protein B 1 FT #SUB 286 269 GLU E 461 444 PRO D Protein B 2 FT #SUB 287 270 PHE E 459 442 TYR D Protein S 4 FT #SUB 287 270 PHE E 460 443 PRO D Protein A 11 FT #SUB 287 270 PHE E 461 444 PRO D Protein B 3 FT #SUB 288 271 TYR E 460 443 PRO D Protein S 2 FT #SUB 297 280 ASP E 461 444 PRO D Protein S 5 FT #SUB 297 280 ASP E 462 445 SER D Protein S 8 FT #SUB 375 358 GLU E 196 179 ARG D Protein S 8 FT #SUB 376 359 LYS E 121 104 LEU D Protein S 1 FT #SUB 380 363 LEU E 442 425 ARG D Protein S 1 FT #SUB 383 366 PHE E 449 432 LEU D Protein S 1 FT #SUB 391 374 LYS E 113 96 GLU D Protein S 1 FT #SUB 394 377 ILE E 115 98 TYR D Protein S 1 FT #SUB 394 377 ILE E 117 100 HIS D Protein S 3 FT #SUB 394 377 ILE E 442 425 ARG D Protein B 2 FT #SUB 395 378 ALA E 37 20 ARG D Protein B 3 FT #SUB 397 380 THR E 119 102 GLU D Protein B 1 FT #SUB 397 380 THR E 442 425 ARG D Protein A 8 FT #SUB 398 381 SER E 119 102 GLU D Protein A 6 FT #SUB 398 381 SER E 442 425 ARG D Protein B 7 FT #SUB 399 382 SER E 119 102 GLU D Protein B 2 FT #SUB 399 382 SER E 440 423 HIS D Protein B 3 FT #SUB 399 382 SER E 442 425 ARG D Protein A 15 FT #SUB 400 383 GLY E 440 423 HIS D Protein B 4 FT #SUB 400 383 GLY E 442 425 ARG D Protein B 2 FT #SUB 400 383 GLY E 443 426 SER D Protein B 1 FT #SUB 401 384 GLY E 443 426 SER D Protein B 2 FT #SUB 402 385 VAL E 442 425 ARG D Protein S 3 FT #SUB 402 385 VAL E 443 426 SER D Protein B 5 FT #SUB 402 385 VAL E 444 427 CYS D Protein B 2 FT #SUB 402 385 VAL E 445 428 LEU D Protein B 5 FT #SUB 403 386 ALA E 445 428 LEU D Protein A 3 FT #SUB 404 387 ALA E 445 428 LEU D Protein A 5 FT #SUB 404 387 ALA E 446 429 VAL D Protein A 5 FT #SUB 404 387 ALA E 447 430 ARG D Protein B 6 FT #SUB 405 388 ASN E 447 430 ARG D Protein S 5 FT #SUB 405 388 ASN E 449 432 LEU D Protein S 8 FT #SUB 406 389 ASP E 447 430 ARG D Protein S 9 FT #SUB 406 389 ASP E 458 441 ARG D Protein S 8 FT #SUB 409 392 VAL E 445 428 LEU D Protein S 1 FT #SUB 409 392 VAL E 447 430 ARG D Protein S 3 FT #SUB 409 392 VAL E 458 441 ARG D Protein S 1 FT #SUB 410 393 HIS E 445 428 LEU D Protein A 4 FT #SUB 413 396 LEU E 109 92 THR D Protein S 1 FT #SUB 413 396 LEU E 114 97 LEU D Protein S 1 FT #SUB 414 397 HIS E 104 87 GLU D Protein S 1 FT #SUB 414 397 HIS E 106 89 THR D Protein S 1 FT #SUB 415 398 SER E 103 86 VAL D Protein A 4 FT #SUB 415 398 SER E 104 87 GLU D Protein S 3 FT #SUB 416 399 LEU E 103 86 VAL D Protein S 1 FT #SUB 416 399 LEU E 115 98 TYR D Protein S 1 FT #SUB 416 399 LEU E 443 426 SER D Protein A 4 FT #SUB 416 399 LEU E 444 427 CYS D Protein S 1 FT #SUB 417 400 PRO E 116 99 ILE D Protein S 1 FT #SUB 417 400 PRO E 443 426 SER D Protein A 6 FT #SUB 420 403 GLY E 440 423 HIS D Protein B 1 FT #SUB 421 404 VAL E 440 423 HIS D Protein S 11 FT #SUB 423 406 ASN E 196 179 ARG D Protein S 1 FT #SUB 426 409 MET E 220 203 LEU D Protein S 2 FT #SUB 426 409 MET E 221 204 THR D Protein S 2 FT #SUB 426 409 MET E 222 205 PRO D Protein S 2 FT #SUB 440 423 HIS E 399 382 SER D Protein S 3 FT #SUB 440 423 HIS E 400 383 GLY D Protein S 4 FT #SUB 440 423 HIS E 420 403 GLY D Protein S 1 FT #SUB 440 423 HIS E 421 404 VAL D Protein S 11 FT #SUB 442 425 ARG E 380 363 LEU D Protein S 1 FT #SUB 442 425 ARG E 394 377 ILE D Protein S 4 FT #SUB 442 425 ARG E 397 380 THR D Protein S 8 FT #SUB 442 425 ARG E 398 381 SER D Protein S 7 FT #SUB 442 425 ARG E 399 382 SER D Protein S 15 FT #SUB 442 425 ARG E 400 383 GLY D Protein A 2 FT #SUB 442 425 ARG E 402 385 VAL D Protein S 3 FT #SUB 443 426 SER E 400 383 GLY D Protein B 1 FT #SUB 443 426 SER E 401 384 GLY D Protein B 2 FT #SUB 443 426 SER E 402 385 VAL D Protein B 5 FT #SUB 443 426 SER E 416 399 LEU D Protein S 5 FT #SUB 443 426 SER E 417 400 PRO D Protein S 5 FT #SUB 444 427 CYS E 402 385 VAL D Protein B 2 FT #SUB 444 427 CYS E 416 399 LEU D Protein B 1 FT #SUB 445 428 LEU E 402 385 VAL D Protein A 5 FT #SUB 445 428 LEU E 403 386 ALA D Protein B 3 FT #SUB 445 428 LEU E 404 387 ALA D Protein B 5 FT #SUB 445 428 LEU E 409 392 VAL D Protein S 1 FT #SUB 445 428 LEU E 410 393 HIS D Protein S 3 FT #SUB 446 429 VAL E 404 387 ALA D Protein A 5 FT #SUB 447 430 ARG E 404 387 ALA D Protein A 5 FT #SUB 447 430 ARG E 405 388 ASN D Protein B 5 FT #SUB 447 430 ARG E 406 389 ASP D Protein S 8 FT #SUB 447 430 ARG E 409 392 VAL D Protein S 3 FT #SUB 448 431 PRO E 247 230 ARG D Protein B 1 FT #SUB 449 432 LEU E 239 222 CYS D Protein S 2 FT #SUB 449 432 LEU E 240 223 ASP D Protein S 1 FT #SUB 449 432 LEU E 383 366 PHE D Protein S 1 FT #SUB 449 432 LEU E 405 388 ASN D Protein A 8 FT #SUB 450 433 MET E 243 226 VAL D Protein B 1 FT #SUB 450 433 MET E 247 230 ARG D Protein B 2 FT #SUB 452 435 ASP E 247 230 ARG D Protein S 1 FT #SUB 455 438 LEU E 247 230 ARG D Protein S 3 FT #SUB 456 439 LYS E 246 229 ARG D Protein S 3 FT #SUB 458 441 ARG E 247 230 ARG D Protein S 2 FT #SUB 458 441 ARG E 250 233 TRP D Protein A 16 FT #SUB 458 441 ARG E 406 389 ASP D Protein S 9 FT #SUB 458 441 ARG E 409 392 VAL D Protein S 1 FT #SUB 459 442 TYR E 247 230 ARG D Protein S 4 FT #SUB 459 442 TYR E 250 233 TRP D Protein S 5 FT #SUB 459 442 TYR E 287 270 PHE D Protein S 4 FT #SUB 460 443 PRO E 287 270 PHE D Protein A 13 FT #SUB 461 444 PRO E 286 269 GLU D Protein S 2 FT #SUB 461 444 PRO E 287 270 PHE D Protein A 5 FT #SUB 461 444 PRO E 297 280 ASP D Protein B 2 FT #SUB 462 445 SER E 73 56 TRP D Protein S 5 FT #SUB 462 445 SER E 296 279 ARG D Protein S 3 FT #SUB 462 445 SER E 297 280 ASP D Protein A 6 FT #SUB 463 446 PRO E 73 56 TRP D Protein S 1 FT #HET 77 60 TYR E 5 501 04T E B 1 FT #HET 78 61 GLU E 5 501 04T E A 14 FT #HET 79 62 GLU E 5 501 04T E B 1 FT #HET 82 65 TYR E 5 501 04T E S 11 FT #HET 131 114 ASN E 5 501 04T E S 1 FT #HET 132 115 TYR E 5 501 04T E S 26 FT #HET 135 118 ASN E 5 501 04T E S 9 FT #HET 136 119 LEU E 5 501 04T E S 2 FT #HET 250 233 TRP E 5 501 04T E S 6 FT #HET 254 237 MET E 5 501 04T E S 2 FT #HET 259 242 THR E 5 501 04T E S 2 FT #HET 260 243 CYS E 5 501 04T E A 7 FT #HET 261 244 VAL E 5 501 04T E A 5 FT #HET 408 391 ILE E 5 501 04T E S 3 FT #HET 409 392 VAL E 5 501 04T E S 3 FT #HET 411 394 ILE E 5 501 04T E S 5 FT #HET 412 395 THR E 5 501 04T E S 4 FT #HET 418 401 PHE E 5 501 04T E S 2 FT #HET 458 441 ARG E 4 501 04T D S 1 FT DISORDER 1 17 FT DISORDER 464 469 CC SEQUENCE 446 AA (ATOM); CC SKISEAVKRA RAAFSSGRTR PLQFRIQQLE ALQRLIQEQE QELVGALAAD LHKNEWNAYY CC EEVVYVLEEI EYMIQKLPEW AADEPVEKTP QTQQDELYIH SEPLGVVLVI GTWNYPFNLT CC IQPMVGAIAA GNAVVLKPSE LSENMASLLA TIIPQYLDKD LYPVINGGVP ETTELLKERF CC DHILYTGSTG VGKIIMTAAA KHLTPVTLEL GGKSPCYVDK NCDLDVACRR IAWGKFMNSG CC QTCVAPDYIL CDPSIQNQIV EKLKKSLKEF YGEDAKKSRD YGRIISARHF QRVMGLIEGQ CC KVAYGGTGDA ATRYIAPTIL TDVDPQSPVM QEEIFGPVLP IVCVRSLEEA IQFINQREKP CC LALYMFSSND KVIKKMIAET SSGGVAANDV IVHITLHSLP FGGVGNSGMG SYHGKKSFET CC FSHRRSCLVR PLMNDEGLKV RYPPSP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HHHHHHSSGLVPRGSHMSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ATOM -----------------SKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ********************************* CC SEQRES RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ATOM RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ************************************************** CC SEQRES EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ATOM EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ************************************************** CC SEQRES VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ATOM VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ************************************************** CC SEQRES LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ATOM LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ************************************************** CC SEQRES GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ATOM GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ************************************************** CC SEQRES IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ATOM IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ************************************************** CC SEQRES IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ATOM IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ************************************************** CC SEQRES GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ATOM GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ************************************************** CC SEQRES NDEGLKVRYPPSPAKMTQH CC ATOM NDEGLKVRYPPSP------ CC ************* SQ SEQUENCE 469 AA; MW; CN; HHHHHHSSGL VPRGSHMSKI SEAVKRARAA FSSGRTRPLQ FRIQQLEALQ RLIQEQEQEL VGALAADLHK NEWNAYYEEV VYVLEEIEYM IQKLPEWAAD EPVEKTPQTQ QDELYIHSEP LGVVLVIGTW NYPFNLTIQP MVGAIAAGNA VVLKPSELSE NMASLLATII PQYLDKDLYP VINGGVPETT ELLKERFDHI LYTGSTGVGK IIMTAAAKHL TPVTLELGGK SPCYVDKNCD LDVACRRIAW GKFMNSGQTC VAPDYILCDP SIQNQIVEKL KKSLKEFYGE DAKKSRDYGR IISARHFQRV MGLIEGQKVA YGGTGDAATR YIAPTILTDV DPQSPVMQEE IFGPVLPIVC VRSLEEAIQF INQREKPLAL YMFSSNDKVI KKMIAETSSG GVAANDVIVH ITLHSLPFGG VGNSGMGSYH GKKSFETFSH RRSCLVRPLM NDEGLKVRYP PSPAKMTQH // ID 4H80F STANDARD; PRT; 469 AA. DT CONVERTED FROM PDB (SEQRES) 4H80 DE Aldehyde dehydrogenase, dimeric NADP-preferring OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.235 FT #SUB 19 2 LYS F 456 439 LYS D Protein S 3 FT #SUB 19 2 LYS F 457 440 VAL D Protein S 1 FT #SUB 19 2 LYS F 459 442 TYR D Protein S 2 FT #SUB 19 2 LYS F 461 444 PRO D Protein S 1 FT #SUB 160 143 GLU F 107 90 PRO D Protein S 5 FT #SUB 161 144 ASN F 107 90 PRO D Protein S 2 FT #SUB 161 144 ASN F 110 93 GLN D Protein S 2 FT #SUB 164 147 SER F 107 90 PRO D Protein S 4 FT #SUB 164 147 SER F 108 91 GLN D Protein S 2 FT #SUB 165 148 LEU F 111 94 GLN D Protein S 2 FT #SUB 167 150 ALA F 454 437 GLY D Protein B 1 FT #SUB 168 151 THR F 111 94 GLN D Protein S 3 FT #SUB 169 152 ILE F 111 94 GLN D Protein S 1 FT #SUB 171 154 PRO F 453 436 GLU D Protein S 3 FT #SUB 172 155 GLN F 450 433 MET D Protein S 2 FT #SUB 176 159 LYS F 451 434 ASN D Protein S 5 FT #SUB 176 159 LYS F 453 436 GLU D Protein B 2 FT #SUB 180 163 PRO F 453 436 GLU D Protein B 1 FT #SUB 181 164 VAL F 453 436 GLU D Protein B 1 FT #SUB 183 166 ASN F 454 437 GLY D Protein S 1 FT #SUB 362 345 ARG F 168 151 THR G Protein S 1 FT #SUB 362 345 ARG F 171 154 PRO G Protein S 3 FT #SUB 362 345 ARG F 172 155 GLN G Protein S 1 FT #SUB 362 345 ARG F 176 159 LYS G Protein A 9 FT #SUB 366 349 GLU F 176 159 LYS G Protein S 5 FT #SUB 369 352 GLN F 26 9 ARG G Protein S 1 FT #SUB 37 20 ARG F 395 378 ALA H Protein S 3 FT #SUB 71 54 ASN F 462 445 SER H Protein S 1 FT #SUB 73 56 TRP F 457 440 VAL H Protein S 2 FT #SUB 73 56 TRP F 458 441 ARG H Protein S 1 FT #SUB 73 56 TRP F 462 445 SER H Protein S 5 FT #SUB 73 56 TRP F 463 446 PRO H Protein S 5 FT #SUB 103 86 VAL F 415 398 SER H Protein S 6 FT #SUB 103 86 VAL F 416 399 LEU H Protein S 1 FT #SUB 104 87 GLU F 415 398 SER H Protein B 4 FT #SUB 109 92 THR F 413 396 LEU H Protein S 1 FT #SUB 113 96 GLU F 391 374 LYS H Protein S 1 FT #SUB 114 97 LEU F 413 396 LEU H Protein S 2 FT #SUB 114 97 LEU F 415 398 SER H Protein S 1 FT #SUB 115 98 TYR F 394 377 ILE H Protein S 1 FT #SUB 115 98 TYR F 416 399 LEU H Protein B 1 FT #SUB 116 99 ILE F 417 400 PRO H Protein S 1 FT #SUB 117 100 HIS F 394 377 ILE H Protein S 3 FT #SUB 119 102 GLU F 397 380 THR H Protein S 1 FT #SUB 119 102 GLU F 398 381 SER H Protein S 4 FT #SUB 119 102 GLU F 399 382 SER H Protein S 2 FT #SUB 121 104 LEU F 376 359 LYS H Protein B 1 FT #SUB 196 179 ARG F 375 358 GLU H Protein S 7 FT #SUB 196 179 ARG F 423 406 ASN H Protein S 1 FT #SUB 206 189 THR F 220 203 LEU H Protein A 2 FT #SUB 209 192 GLY F 220 203 LEU H Protein B 1 FT #SUB 210 193 LYS F 217 200 ALA H Protein A 4 FT #SUB 210 193 LYS F 218 201 LYS H Protein S 3 FT #SUB 210 193 LYS F 220 203 LEU H Protein A 5 FT #SUB 213 196 MET F 217 200 ALA H Protein S 3 FT #SUB 213 196 MET F 221 204 THR H Protein S 1 FT #SUB 214 197 THR F 217 200 ALA H Protein A 2 FT #SUB 217 200 ALA F 210 193 LYS H Protein A 5 FT #SUB 217 200 ALA F 213 196 MET H Protein A 4 FT #SUB 217 200 ALA F 214 197 THR H Protein S 2 FT #SUB 218 201 LYS F 210 193 LYS H Protein B 3 FT #SUB 220 203 LEU F 206 189 THR H Protein S 2 FT #SUB 220 203 LEU F 209 192 GLY H Protein S 2 FT #SUB 220 203 LEU F 210 193 LYS H Protein S 2 FT #SUB 220 203 LEU F 225 208 LEU H Protein S 1 FT #SUB 220 203 LEU F 227 210 LEU H Protein S 1 FT #SUB 220 203 LEU F 426 409 MET H Protein B 2 FT #SUB 221 204 THR F 213 196 MET H Protein B 1 FT #SUB 221 204 THR F 426 409 MET H Protein B 2 FT #SUB 222 205 PRO F 426 409 MET H Protein B 2 FT #SUB 225 208 LEU F 220 203 LEU H Protein S 1 FT #SUB 227 210 LEU F 220 203 LEU H Protein S 1 FT #SUB 239 222 CYS F 449 432 LEU H Protein S 2 FT #SUB 240 223 ASP F 449 432 LEU H Protein B 2 FT #SUB 243 226 VAL F 450 433 MET H Protein S 1 FT #SUB 243 226 VAL F 451 434 ASN H Protein S 1 FT #SUB 247 230 ARG F 448 431 PRO H Protein S 1 FT #SUB 247 230 ARG F 450 433 MET H Protein S 2 FT #SUB 247 230 ARG F 458 441 ARG H Protein S 1 FT #SUB 247 230 ARG F 459 442 TYR H Protein S 1 FT #SUB 250 233 TRP F 458 441 ARG H Protein S 14 FT #SUB 250 233 TRP F 459 442 TYR H Protein S 5 FT #SUB 286 269 GLU F 460 443 PRO H Protein B 1 FT #SUB 286 269 GLU F 461 444 PRO H Protein B 1 FT #SUB 287 270 PHE F 459 442 TYR H Protein S 4 FT #SUB 287 270 PHE F 460 443 PRO H Protein A 14 FT #SUB 287 270 PHE F 461 444 PRO H Protein B 1 FT #SUB 296 279 ARG F 462 445 SER H Protein S 6 FT #SUB 296 279 ARG F 463 446 PRO H Protein S 1 FT #SUB 297 280 ASP F 461 444 PRO H Protein S 5 FT #SUB 297 280 ASP F 462 445 SER H Protein S 8 FT #SUB 375 358 GLU F 196 179 ARG H Protein S 6 FT #SUB 376 359 LYS F 121 104 LEU H Protein S 1 FT #SUB 380 363 LEU F 442 425 ARG H Protein S 1 FT #SUB 383 366 PHE F 449 432 LEU H Protein S 1 FT #SUB 391 374 LYS F 113 96 GLU H Protein S 1 FT #SUB 394 377 ILE F 115 98 TYR H Protein S 1 FT #SUB 394 377 ILE F 117 100 HIS H Protein S 2 FT #SUB 394 377 ILE F 442 425 ARG H Protein A 4 FT #SUB 395 378 ALA F 37 20 ARG H Protein B 1 FT #SUB 397 380 THR F 119 102 GLU H Protein B 1 FT #SUB 397 380 THR F 442 425 ARG H Protein A 8 FT #SUB 398 381 SER F 119 102 GLU H Protein A 4 FT #SUB 398 381 SER F 442 425 ARG H Protein B 7 FT #SUB 399 382 SER F 119 102 GLU H Protein B 1 FT #SUB 399 382 SER F 440 423 HIS H Protein B 3 FT #SUB 399 382 SER F 442 425 ARG H Protein A 14 FT #SUB 400 383 GLY F 440 423 HIS H Protein B 4 FT #SUB 400 383 GLY F 442 425 ARG H Protein B 2 FT #SUB 400 383 GLY F 443 426 SER H Protein B 1 FT #SUB 401 384 GLY F 443 426 SER H Protein B 2 FT #SUB 402 385 VAL F 442 425 ARG H Protein S 3 FT #SUB 402 385 VAL F 443 426 SER H Protein B 5 FT #SUB 402 385 VAL F 444 427 CYS H Protein B 2 FT #SUB 402 385 VAL F 445 428 LEU H Protein B 5 FT #SUB 403 386 ALA F 445 428 LEU H Protein A 3 FT #SUB 404 387 ALA F 445 428 LEU H Protein A 5 FT #SUB 404 387 ALA F 446 429 VAL H Protein A 5 FT #SUB 404 387 ALA F 447 430 ARG H Protein B 5 FT #SUB 405 388 ASN F 447 430 ARG H Protein S 5 FT #SUB 405 388 ASN F 449 432 LEU H Protein S 7 FT #SUB 406 389 ASP F 447 430 ARG H Protein S 9 FT #SUB 406 389 ASP F 458 441 ARG H Protein S 6 FT #SUB 409 392 VAL F 445 428 LEU H Protein S 1 FT #SUB 409 392 VAL F 447 430 ARG H Protein S 3 FT #SUB 409 392 VAL F 458 441 ARG H Protein S 1 FT #SUB 410 393 HIS F 445 428 LEU H Protein A 4 FT #SUB 413 396 LEU F 109 92 THR H Protein S 1 FT #SUB 413 396 LEU F 114 97 LEU H Protein S 1 FT #SUB 415 398 SER F 103 86 VAL H Protein A 6 FT #SUB 415 398 SER F 104 87 GLU H Protein S 4 FT #SUB 416 399 LEU F 103 86 VAL H Protein S 1 FT #SUB 416 399 LEU F 115 98 TYR H Protein S 1 FT #SUB 416 399 LEU F 443 426 SER H Protein A 5 FT #SUB 416 399 LEU F 444 427 CYS H Protein S 1 FT #SUB 417 400 PRO F 116 99 ILE H Protein S 1 FT #SUB 417 400 PRO F 443 426 SER H Protein A 5 FT #SUB 420 403 GLY F 440 423 HIS H Protein B 1 FT #SUB 421 404 VAL F 440 423 HIS H Protein S 10 FT #SUB 423 406 ASN F 196 179 ARG H Protein S 1 FT #SUB 426 409 MET F 220 203 LEU H Protein S 2 FT #SUB 426 409 MET F 221 204 THR H Protein S 2 FT #SUB 426 409 MET F 222 205 PRO H Protein S 2 FT #SUB 440 423 HIS F 399 382 SER H Protein S 3 FT #SUB 440 423 HIS F 400 383 GLY H Protein S 4 FT #SUB 440 423 HIS F 420 403 GLY H Protein S 1 FT #SUB 440 423 HIS F 421 404 VAL H Protein S 10 FT #SUB 442 425 ARG F 380 363 LEU H Protein S 2 FT #SUB 442 425 ARG F 394 377 ILE H Protein S 4 FT #SUB 442 425 ARG F 397 380 THR H Protein S 6 FT #SUB 442 425 ARG F 398 381 SER H Protein S 6 FT #SUB 442 425 ARG F 399 382 SER H Protein S 15 FT #SUB 442 425 ARG F 400 383 GLY H Protein A 3 FT #SUB 442 425 ARG F 402 385 VAL H Protein S 3 FT #SUB 443 426 SER F 400 383 GLY H Protein B 1 FT #SUB 443 426 SER F 401 384 GLY H Protein B 2 FT #SUB 443 426 SER F 402 385 VAL H Protein B 5 FT #SUB 443 426 SER F 416 399 LEU H Protein S 6 FT #SUB 443 426 SER F 417 400 PRO H Protein S 6 FT #SUB 444 427 CYS F 402 385 VAL H Protein B 2 FT #SUB 444 427 CYS F 416 399 LEU H Protein B 2 FT #SUB 445 428 LEU F 402 385 VAL H Protein B 4 FT #SUB 445 428 LEU F 403 386 ALA H Protein B 3 FT #SUB 445 428 LEU F 404 387 ALA H Protein B 4 FT #SUB 445 428 LEU F 409 392 VAL H Protein S 3 FT #SUB 445 428 LEU F 410 393 HIS H Protein S 3 FT #SUB 446 429 VAL F 404 387 ALA H Protein A 4 FT #SUB 447 430 ARG F 404 387 ALA H Protein A 4 FT #SUB 447 430 ARG F 405 388 ASN H Protein B 3 FT #SUB 447 430 ARG F 406 389 ASP H Protein S 8 FT #SUB 447 430 ARG F 409 392 VAL H Protein S 3 FT #SUB 448 431 PRO F 247 230 ARG H Protein B 2 FT #SUB 449 432 LEU F 239 222 CYS H Protein S 2 FT #SUB 449 432 LEU F 240 223 ASP H Protein S 1 FT #SUB 449 432 LEU F 243 226 VAL H Protein S 2 FT #SUB 449 432 LEU F 244 227 ALA H Protein S 1 FT #SUB 449 432 LEU F 247 230 ARG H Protein A 2 FT #SUB 449 432 LEU F 383 366 PHE H Protein S 1 FT #SUB 449 432 LEU F 405 388 ASN H Protein A 5 FT #SUB 450 433 MET F 243 226 VAL H Protein B 2 FT #SUB 450 433 MET F 247 230 ARG H Protein B 2 FT #SUB 452 435 ASP F 247 230 ARG H Protein A 2 FT #SUB 455 438 LEU F 247 230 ARG H Protein S 3 FT #SUB 457 440 VAL F 73 56 TRP H Protein B 2 FT #SUB 458 441 ARG F 247 230 ARG H Protein S 2 FT #SUB 458 441 ARG F 250 233 TRP H Protein A 19 FT #SUB 458 441 ARG F 406 389 ASP H Protein S 8 FT #SUB 458 441 ARG F 409 392 VAL H Protein S 1 FT #SUB 459 442 TYR F 246 229 ARG H Protein S 4 FT #SUB 459 442 TYR F 247 230 ARG H Protein S 2 FT #SUB 459 442 TYR F 250 233 TRP H Protein S 5 FT #SUB 459 442 TYR F 287 270 PHE H Protein S 4 FT #SUB 460 443 PRO F 286 269 GLU H Protein B 1 FT #SUB 460 443 PRO F 287 270 PHE H Protein A 13 FT #SUB 461 444 PRO F 286 269 GLU H Protein S 2 FT #SUB 461 444 PRO F 287 270 PHE H Protein A 2 FT #SUB 462 445 SER F 73 56 TRP H Protein S 4 FT #SUB 462 445 SER F 296 279 ARG H Protein S 2 FT #SUB 462 445 SER F 297 280 ASP H Protein A 8 FT #SUB 463 446 PRO F 73 56 TRP H Protein S 5 FT #SUB 463 446 PRO F 296 279 ARG H Protein B 1 FT #HET 78 61 GLU F 6 501 04T F A 9 FT #HET 82 65 TYR F 6 501 04T F S 15 FT #HET 131 114 ASN F 6 501 04T F S 1 FT #HET 132 115 TYR F 6 501 04T F S 18 FT #HET 135 118 ASN F 6 501 04T F S 8 FT #HET 136 119 LEU F 6 501 04T F S 2 FT #HET 250 233 TRP F 6 501 04T F S 4 FT #HET 254 237 MET F 6 501 04T F S 2 FT #HET 259 242 THR F 6 501 04T F S 2 FT #HET 260 243 CYS F 6 501 04T F A 8 FT #HET 261 244 VAL F 6 501 04T F A 3 FT #HET 408 391 ILE F 6 501 04T F S 2 FT #HET 409 392 VAL F 6 501 04T F A 4 FT #HET 411 394 ILE F 6 501 04T F S 4 FT #HET 412 395 THR F 6 501 04T F S 5 FT #HET 418 401 PHE F 6 501 04T F S 2 FT #HET 458 441 ARG F 8 501 04T H S 2 FT DISORDER 1 17 FT DISORDER 464 469 CC SEQUENCE 446 AA (ATOM); CC SKISEAVKRA RAAFSSGRTR PLQFRIQQLE ALQRLIQEQE QELVGALAAD LHKNEWNAYY CC EEVVYVLEEI EYMIQKLPEW AADEPVEKTP QTQQDELYIH SEPLGVVLVI GTWNYPFNLT CC IQPMVGAIAA GNAVVLKPSE LSENMASLLA TIIPQYLDKD LYPVINGGVP ETTELLKERF CC DHILYTGSTG VGKIIMTAAA KHLTPVTLEL GGKSPCYVDK NCDLDVACRR IAWGKFMNSG CC QTCVAPDYIL CDPSIQNQIV EKLKKSLKEF YGEDAKKSRD YGRIISARHF QRVMGLIEGQ CC KVAYGGTGDA ATRYIAPTIL TDVDPQSPVM QEEIFGPVLP IVCVRSLEEA IQFINQREKP CC LALYMFSSND KVIKKMIAET SSGGVAANDV IVHITLHSLP FGGVGNSGMG SYHGKKSFET CC FSHRRSCLVR PLMNDEGLKV RYPPSP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HHHHHHSSGLVPRGSHMSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ATOM -----------------SKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ********************************* CC SEQRES RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ATOM RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ************************************************** CC SEQRES EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ATOM EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ************************************************** CC SEQRES VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ATOM VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ************************************************** CC SEQRES LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ATOM LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ************************************************** CC SEQRES GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ATOM GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ************************************************** CC SEQRES IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ATOM IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ************************************************** CC SEQRES IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ATOM IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ************************************************** CC SEQRES GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ATOM GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ************************************************** CC SEQRES NDEGLKVRYPPSPAKMTQH CC ATOM NDEGLKVRYPPSP------ CC ************* SQ SEQUENCE 469 AA; MW; CN; HHHHHHSSGL VPRGSHMSKI SEAVKRARAA FSSGRTRPLQ FRIQQLEALQ RLIQEQEQEL VGALAADLHK NEWNAYYEEV VYVLEEIEYM IQKLPEWAAD EPVEKTPQTQ QDELYIHSEP LGVVLVIGTW NYPFNLTIQP MVGAIAAGNA VVLKPSELSE NMASLLATII PQYLDKDLYP VINGGVPETT ELLKERFDHI LYTGSTGVGK IIMTAAAKHL TPVTLELGGK SPCYVDKNCD LDVACRRIAW GKFMNSGQTC VAPDYILCDP SIQNQIVEKL KKSLKEFYGE DAKKSRDYGR IISARHFQRV MGLIEGQKVA YGGTGDAATR YIAPTILTDV DPQSPVMQEE IFGPVLPIVC VRSLEEAIQF INQREKPLAL YMFSSNDKVI KKMIAETSSG GVAANDVIVH ITLHSLPFGG VGNSGMGSYH GKKSFETFSH RRSCLVRPLM NDEGLKVRYP PSPAKMTQH // ID 4H80G STANDARD; PRT; 469 AA. DT CONVERTED FROM PDB (SEQRES) 4H80 DE Aldehyde dehydrogenase, dimeric NADP-preferring OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.235 FT #SUB 37 20 ARG G 395 378 ALA C Protein S 3 FT #SUB 71 54 ASN G 462 445 SER C Protein S 1 FT #SUB 73 56 TRP G 457 440 VAL C Protein S 2 FT #SUB 73 56 TRP G 458 441 ARG C Protein S 1 FT #SUB 73 56 TRP G 462 445 SER C Protein S 5 FT #SUB 103 86 VAL G 415 398 SER C Protein S 1 FT #SUB 103 86 VAL G 416 399 LEU C Protein S 1 FT #SUB 104 87 GLU G 415 398 SER C Protein B 3 FT #SUB 109 92 THR G 413 396 LEU C Protein S 1 FT #SUB 113 96 GLU G 391 374 LYS C Protein S 1 FT #SUB 114 97 LEU G 413 396 LEU C Protein S 1 FT #SUB 114 97 LEU G 415 398 SER C Protein S 1 FT #SUB 115 98 TYR G 394 377 ILE C Protein S 1 FT #SUB 115 98 TYR G 416 399 LEU C Protein B 1 FT #SUB 117 100 HIS G 394 377 ILE C Protein S 1 FT #SUB 119 102 GLU G 397 380 THR C Protein S 1 FT #SUB 119 102 GLU G 398 381 SER C Protein S 4 FT #SUB 119 102 GLU G 399 382 SER C Protein S 1 FT #SUB 121 104 LEU G 376 359 LYS C Protein B 1 FT #SUB 196 179 ARG G 375 358 GLU C Protein S 5 FT #SUB 196 179 ARG G 423 406 ASN C Protein S 1 FT #SUB 206 189 THR G 220 203 LEU C Protein A 2 FT #SUB 209 192 GLY G 220 203 LEU C Protein B 2 FT #SUB 210 193 LYS G 217 200 ALA C Protein A 5 FT #SUB 210 193 LYS G 218 201 LYS C Protein S 4 FT #SUB 210 193 LYS G 220 203 LEU C Protein A 3 FT #SUB 213 196 MET G 217 200 ALA C Protein S 3 FT #SUB 213 196 MET G 221 204 THR C Protein S 1 FT #SUB 214 197 THR G 217 200 ALA C Protein A 2 FT #SUB 217 200 ALA G 210 193 LYS C Protein A 5 FT #SUB 217 200 ALA G 213 196 MET C Protein A 3 FT #SUB 217 200 ALA G 214 197 THR C Protein S 2 FT #SUB 218 201 LYS G 210 193 LYS C Protein B 4 FT #SUB 220 203 LEU G 206 189 THR C Protein S 2 FT #SUB 220 203 LEU G 209 192 GLY C Protein S 2 FT #SUB 220 203 LEU G 210 193 LYS C Protein S 4 FT #SUB 220 203 LEU G 225 208 LEU C Protein S 1 FT #SUB 220 203 LEU G 227 210 LEU C Protein S 1 FT #SUB 220 203 LEU G 426 409 MET C Protein B 2 FT #SUB 221 204 THR G 213 196 MET C Protein B 1 FT #SUB 221 204 THR G 426 409 MET C Protein B 2 FT #SUB 222 205 PRO G 426 409 MET C Protein B 2 FT #SUB 225 208 LEU G 220 203 LEU C Protein S 1 FT #SUB 227 210 LEU G 220 203 LEU C Protein S 1 FT #SUB 239 222 CYS G 449 432 LEU C Protein S 2 FT #SUB 240 223 ASP G 449 432 LEU C Protein B 1 FT #SUB 243 226 VAL G 450 433 MET C Protein S 1 FT #SUB 247 230 ARG G 448 431 PRO C Protein S 1 FT #SUB 247 230 ARG G 449 432 LEU C Protein S 1 FT #SUB 247 230 ARG G 450 433 MET C Protein S 2 FT #SUB 247 230 ARG G 455 438 LEU C Protein S 1 FT #SUB 247 230 ARG G 458 441 ARG C Protein S 1 FT #SUB 247 230 ARG G 459 442 TYR C Protein S 1 FT #SUB 250 233 TRP G 458 441 ARG C Protein S 8 FT #SUB 250 233 TRP G 459 442 TYR C Protein S 5 FT #SUB 286 269 GLU G 461 444 PRO C Protein B 2 FT #SUB 287 270 PHE G 459 442 TYR C Protein S 4 FT #SUB 287 270 PHE G 460 443 PRO C Protein A 7 FT #SUB 287 270 PHE G 461 444 PRO C Protein B 3 FT #SUB 296 279 ARG G 462 445 SER C Protein S 3 FT #SUB 297 280 ASP G 460 443 PRO C Protein S 1 FT #SUB 297 280 ASP G 461 444 PRO C Protein S 4 FT #SUB 297 280 ASP G 462 445 SER C Protein S 8 FT #SUB 375 358 GLU G 196 179 ARG C Protein S 7 FT #SUB 376 359 LYS G 121 104 LEU C Protein S 1 FT #SUB 380 363 LEU G 442 425 ARG C Protein S 1 FT #SUB 383 366 PHE G 449 432 LEU C Protein S 1 FT #SUB 391 374 LYS G 113 96 GLU C Protein S 1 FT #SUB 394 377 ILE G 115 98 TYR C Protein S 1 FT #SUB 394 377 ILE G 117 100 HIS C Protein S 3 FT #SUB 394 377 ILE G 442 425 ARG C Protein A 4 FT #SUB 395 378 ALA G 37 20 ARG C Protein B 3 FT #SUB 397 380 THR G 119 102 GLU C Protein B 1 FT #SUB 397 380 THR G 442 425 ARG C Protein A 7 FT #SUB 398 381 SER G 119 102 GLU C Protein A 4 FT #SUB 398 381 SER G 442 425 ARG C Protein B 6 FT #SUB 399 382 SER G 119 102 GLU C Protein B 2 FT #SUB 399 382 SER G 440 423 HIS C Protein B 3 FT #SUB 399 382 SER G 442 425 ARG C Protein A 14 FT #SUB 400 383 GLY G 440 423 HIS C Protein B 4 FT #SUB 400 383 GLY G 442 425 ARG C Protein B 2 FT #SUB 400 383 GLY G 443 426 SER C Protein B 1 FT #SUB 401 384 GLY G 443 426 SER C Protein B 2 FT #SUB 402 385 VAL G 442 425 ARG C Protein S 3 FT #SUB 402 385 VAL G 443 426 SER C Protein B 5 FT #SUB 402 385 VAL G 444 427 CYS C Protein B 2 FT #SUB 402 385 VAL G 445 428 LEU C Protein B 3 FT #SUB 403 386 ALA G 445 428 LEU C Protein A 3 FT #SUB 404 387 ALA G 445 428 LEU C Protein A 5 FT #SUB 404 387 ALA G 446 429 VAL C Protein A 3 FT #SUB 404 387 ALA G 447 430 ARG C Protein B 5 FT #SUB 405 388 ASN G 447 430 ARG C Protein S 3 FT #SUB 405 388 ASN G 449 432 LEU C Protein S 7 FT #SUB 406 389 ASP G 447 430 ARG C Protein S 7 FT #SUB 406 389 ASP G 458 441 ARG C Protein S 6 FT #SUB 409 392 VAL G 445 428 LEU C Protein S 1 FT #SUB 409 392 VAL G 447 430 ARG C Protein S 3 FT #SUB 409 392 VAL G 458 441 ARG C Protein S 1 FT #SUB 410 393 HIS G 445 428 LEU C Protein A 3 FT #SUB 413 396 LEU G 109 92 THR C Protein S 1 FT #SUB 413 396 LEU G 114 97 LEU C Protein S 1 FT #SUB 415 398 SER G 103 86 VAL C Protein A 4 FT #SUB 415 398 SER G 104 87 GLU C Protein S 3 FT #SUB 415 398 SER G 114 97 LEU C Protein S 1 FT #SUB 416 399 LEU G 103 86 VAL C Protein S 1 FT #SUB 416 399 LEU G 115 98 TYR C Protein S 1 FT #SUB 416 399 LEU G 443 426 SER C Protein A 6 FT #SUB 416 399 LEU G 444 427 CYS C Protein S 1 FT #SUB 417 400 PRO G 443 426 SER C Protein A 6 FT #SUB 420 403 GLY G 440 423 HIS C Protein B 1 FT #SUB 421 404 VAL G 440 423 HIS C Protein S 9 FT #SUB 423 406 ASN G 196 179 ARG C Protein S 1 FT #SUB 426 409 MET G 220 203 LEU C Protein S 2 FT #SUB 426 409 MET G 221 204 THR C Protein S 2 FT #SUB 426 409 MET G 222 205 PRO C Protein S 2 FT #SUB 440 423 HIS G 399 382 SER C Protein S 3 FT #SUB 440 423 HIS G 400 383 GLY C Protein S 4 FT #SUB 440 423 HIS G 420 403 GLY C Protein S 1 FT #SUB 440 423 HIS G 421 404 VAL C Protein S 10 FT #SUB 442 425 ARG G 380 363 LEU C Protein S 1 FT #SUB 442 425 ARG G 394 377 ILE C Protein S 3 FT #SUB 442 425 ARG G 397 380 THR C Protein S 8 FT #SUB 442 425 ARG G 398 381 SER C Protein S 7 FT #SUB 442 425 ARG G 399 382 SER C Protein S 14 FT #SUB 442 425 ARG G 400 383 GLY C Protein A 2 FT #SUB 442 425 ARG G 402 385 VAL C Protein S 3 FT #SUB 443 426 SER G 400 383 GLY C Protein B 1 FT #SUB 443 426 SER G 401 384 GLY C Protein B 2 FT #SUB 443 426 SER G 402 385 VAL C Protein B 4 FT #SUB 443 426 SER G 416 399 LEU C Protein S 5 FT #SUB 443 426 SER G 417 400 PRO C Protein S 6 FT #SUB 444 427 CYS G 402 385 VAL C Protein B 2 FT #SUB 445 428 LEU G 402 385 VAL C Protein A 5 FT #SUB 445 428 LEU G 403 386 ALA C Protein B 2 FT #SUB 445 428 LEU G 404 387 ALA C Protein B 5 FT #SUB 445 428 LEU G 409 392 VAL C Protein S 1 FT #SUB 445 428 LEU G 410 393 HIS C Protein S 3 FT #SUB 446 429 VAL G 404 387 ALA C Protein A 3 FT #SUB 447 430 ARG G 404 387 ALA C Protein A 5 FT #SUB 447 430 ARG G 405 388 ASN C Protein B 4 FT #SUB 447 430 ARG G 406 389 ASP C Protein S 7 FT #SUB 447 430 ARG G 409 392 VAL C Protein S 3 FT #SUB 448 431 PRO G 247 230 ARG C Protein B 1 FT #SUB 449 432 LEU G 239 222 CYS C Protein S 2 FT #SUB 449 432 LEU G 240 223 ASP C Protein S 1 FT #SUB 449 432 LEU G 383 366 PHE C Protein S 1 FT #SUB 449 432 LEU G 405 388 ASN C Protein A 7 FT #SUB 450 433 MET G 247 230 ARG C Protein B 1 FT #SUB 455 438 LEU G 247 230 ARG C Protein S 1 FT #SUB 456 439 LYS G 246 229 ARG C Protein S 3 FT #SUB 457 440 VAL G 73 56 TRP C Protein B 2 FT #SUB 458 441 ARG G 73 56 TRP C Protein B 1 FT #SUB 458 441 ARG G 247 230 ARG C Protein S 1 FT #SUB 458 441 ARG G 250 233 TRP C Protein A 21 FT #SUB 458 441 ARG G 406 389 ASP C Protein S 8 FT #SUB 458 441 ARG G 409 392 VAL C Protein S 1 FT #SUB 459 442 TYR G 246 229 ARG C Protein S 3 FT #SUB 459 442 TYR G 247 230 ARG C Protein S 1 FT #SUB 459 442 TYR G 250 233 TRP C Protein S 5 FT #SUB 459 442 TYR G 287 270 PHE C Protein S 4 FT #SUB 460 443 PRO G 287 270 PHE C Protein A 8 FT #SUB 461 444 PRO G 286 269 GLU C Protein S 2 FT #SUB 461 444 PRO G 287 270 PHE C Protein A 5 FT #SUB 461 444 PRO G 297 280 ASP C Protein A 7 FT #SUB 462 445 SER G 73 56 TRP C Protein S 4 FT #SUB 462 445 SER G 296 279 ARG C Protein S 2 FT #SUB 462 445 SER G 297 280 ASP C Protein A 6 FT #SUB 26 9 ARG G 369 352 GLN F Protein S 1 FT #SUB 168 151 THR G 362 345 ARG F Protein B 1 FT #SUB 171 154 PRO G 362 345 ARG F Protein S 3 FT #SUB 172 155 GLN G 362 345 ARG F Protein S 1 FT #SUB 176 159 LYS G 362 345 ARG F Protein S 9 FT #SUB 176 159 LYS G 366 349 GLU F Protein S 5 FT #HET 78 61 GLU G 7 501 04T G A 9 FT #HET 79 62 GLU G 7 501 04T G B 1 FT #HET 82 65 TYR G 7 501 04T G S 15 FT #HET 131 114 ASN G 7 501 04T G S 1 FT #HET 132 115 TYR G 7 501 04T G S 23 FT #HET 135 118 ASN G 7 501 04T G S 11 FT #HET 136 119 LEU G 7 501 04T G S 4 FT #HET 250 233 TRP G 7 501 04T G S 5 FT #HET 254 237 MET G 7 501 04T G S 2 FT #HET 259 242 THR G 7 501 04T G S 2 FT #HET 260 243 CYS G 7 501 04T G A 11 FT #HET 261 244 VAL G 7 501 04T G A 5 FT #HET 408 391 ILE G 7 501 04T G S 1 FT #HET 409 392 VAL G 7 501 04T G S 2 FT #HET 411 394 ILE G 7 501 04T G S 4 FT #HET 412 395 THR G 7 501 04T G S 5 FT #HET 418 401 PHE G 7 501 04T G S 2 FT #HET 458 441 ARG G 3 501 04T C S 1 FT DISORDER 1 17 FT DISORDER 464 469 CC SEQUENCE 446 AA (ATOM); CC SKISEAVKRA RAAFSSGRTR PLQFRIQQLE ALQRLIQEQE QELVGALAAD LHKNEWNAYY CC EEVVYVLEEI EYMIQKLPEW AADEPVEKTP QTQQDELYIH SEPLGVVLVI GTWNYPFNLT CC IQPMVGAIAA GNAVVLKPSE LSENMASLLA TIIPQYLDKD LYPVINGGVP ETTELLKERF CC DHILYTGSTG VGKIIMTAAA KHLTPVTLEL GGKSPCYVDK NCDLDVACRR IAWGKFMNSG CC QTCVAPDYIL CDPSIQNQIV EKLKKSLKEF YGEDAKKSRD YGRIISARHF QRVMGLIEGQ CC KVAYGGTGDA ATRYIAPTIL TDVDPQSPVM QEEIFGPVLP IVCVRSLEEA IQFINQREKP CC LALYMFSSND KVIKKMIAET SSGGVAANDV IVHITLHSLP FGGVGNSGMG SYHGKKSFET CC FSHRRSCLVR PLMNDEGLKV RYPPSP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HHHHHHSSGLVPRGSHMSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ATOM -----------------SKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ********************************* CC SEQRES RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ATOM RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ************************************************** CC SEQRES EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ATOM EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ************************************************** CC SEQRES VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ATOM VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ************************************************** CC SEQRES LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ATOM LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ************************************************** CC SEQRES GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ATOM GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ************************************************** CC SEQRES IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ATOM IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ************************************************** CC SEQRES IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ATOM IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ************************************************** CC SEQRES GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ATOM GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ************************************************** CC SEQRES NDEGLKVRYPPSPAKMTQH CC ATOM NDEGLKVRYPPSP------ CC ************* SQ SEQUENCE 469 AA; MW; CN; HHHHHHSSGL VPRGSHMSKI SEAVKRARAA FSSGRTRPLQ FRIQQLEALQ RLIQEQEQEL VGALAADLHK NEWNAYYEEV VYVLEEIEYM IQKLPEWAAD EPVEKTPQTQ QDELYIHSEP LGVVLVIGTW NYPFNLTIQP MVGAIAAGNA VVLKPSELSE NMASLLATII PQYLDKDLYP VINGGVPETT ELLKERFDHI LYTGSTGVGK IIMTAAAKHL TPVTLELGGK SPCYVDKNCD LDVACRRIAW GKFMNSGQTC VAPDYILCDP SIQNQIVEKL KKSLKEFYGE DAKKSRDYGR IISARHFQRV MGLIEGQKVA YGGTGDAATR YIAPTILTDV DPQSPVMQEE IFGPVLPIVC VRSLEEAIQF INQREKPLAL YMFSSNDKVI KKMIAETSSG GVAANDVIVH ITLHSLPFGG VGNSGMGSYH GKKSFETFSH RRSCLVRPLM NDEGLKVRYP PSPAKMTQH // ID 4H80H STANDARD; PRT; 469 AA. DT CONVERTED FROM PDB (SEQRES) 4H80 DE Aldehyde dehydrogenase, dimeric NADP-preferring OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.235 FT #SUB 168 151 THR H 362 345 ARG C Protein B 1 FT #SUB 171 154 PRO H 362 345 ARG C Protein B 1 FT #SUB 172 155 GLN H 362 345 ARG C Protein A 6 FT #SUB 176 159 LYS H 362 345 ARG C Protein S 5 FT #SUB 176 159 LYS H 366 349 GLU C Protein S 9 FT #SUB 177 160 ASP H 369 352 GLN C Protein S 1 FT #SUB 37 20 ARG H 395 378 ALA F Protein S 1 FT #SUB 73 56 TRP H 457 440 VAL F Protein S 2 FT #SUB 73 56 TRP H 462 445 SER F Protein S 4 FT #SUB 73 56 TRP H 463 446 PRO F Protein S 5 FT #SUB 103 86 VAL H 415 398 SER F Protein S 6 FT #SUB 103 86 VAL H 416 399 LEU F Protein S 1 FT #SUB 104 87 GLU H 415 398 SER F Protein B 4 FT #SUB 109 92 THR H 413 396 LEU F Protein S 1 FT #SUB 113 96 GLU H 391 374 LYS F Protein S 1 FT #SUB 114 97 LEU H 413 396 LEU F Protein S 1 FT #SUB 115 98 TYR H 394 377 ILE F Protein S 1 FT #SUB 115 98 TYR H 416 399 LEU F Protein B 1 FT #SUB 116 99 ILE H 417 400 PRO F Protein S 1 FT #SUB 117 100 HIS H 394 377 ILE F Protein S 2 FT #SUB 119 102 GLU H 397 380 THR F Protein S 1 FT #SUB 119 102 GLU H 398 381 SER F Protein S 4 FT #SUB 119 102 GLU H 399 382 SER F Protein S 1 FT #SUB 121 104 LEU H 376 359 LYS F Protein B 1 FT #SUB 196 179 ARG H 375 358 GLU F Protein S 6 FT #SUB 196 179 ARG H 423 406 ASN F Protein S 1 FT #SUB 206 189 THR H 220 203 LEU F Protein A 2 FT #SUB 209 192 GLY H 220 203 LEU F Protein B 2 FT #SUB 210 193 LYS H 217 200 ALA F Protein A 5 FT #SUB 210 193 LYS H 218 201 LYS F Protein S 3 FT #SUB 210 193 LYS H 220 203 LEU F Protein A 2 FT #SUB 213 196 MET H 217 200 ALA F Protein S 4 FT #SUB 213 196 MET H 221 204 THR F Protein S 1 FT #SUB 214 197 THR H 217 200 ALA F Protein A 2 FT #SUB 217 200 ALA H 210 193 LYS F Protein A 4 FT #SUB 217 200 ALA H 213 196 MET F Protein A 3 FT #SUB 217 200 ALA H 214 197 THR F Protein S 2 FT #SUB 218 201 LYS H 210 193 LYS F Protein B 3 FT #SUB 220 203 LEU H 206 189 THR F Protein S 2 FT #SUB 220 203 LEU H 209 192 GLY F Protein S 1 FT #SUB 220 203 LEU H 210 193 LYS F Protein S 5 FT #SUB 220 203 LEU H 225 208 LEU F Protein S 1 FT #SUB 220 203 LEU H 227 210 LEU F Protein S 1 FT #SUB 220 203 LEU H 426 409 MET F Protein B 2 FT #SUB 221 204 THR H 213 196 MET F Protein B 1 FT #SUB 221 204 THR H 426 409 MET F Protein B 2 FT #SUB 222 205 PRO H 426 409 MET F Protein B 2 FT #SUB 225 208 LEU H 220 203 LEU F Protein S 1 FT #SUB 227 210 LEU H 220 203 LEU F Protein S 1 FT #SUB 239 222 CYS H 449 432 LEU F Protein S 2 FT #SUB 240 223 ASP H 449 432 LEU F Protein B 1 FT #SUB 243 226 VAL H 449 432 LEU F Protein S 2 FT #SUB 243 226 VAL H 450 433 MET F Protein S 2 FT #SUB 244 227 ALA H 449 432 LEU F Protein B 1 FT #SUB 246 229 ARG H 459 442 TYR F Protein A 4 FT #SUB 247 230 ARG H 448 431 PRO F Protein S 2 FT #SUB 247 230 ARG H 449 432 LEU F Protein S 2 FT #SUB 247 230 ARG H 450 433 MET F Protein S 2 FT #SUB 247 230 ARG H 452 435 ASP F Protein S 2 FT #SUB 247 230 ARG H 455 438 LEU F Protein S 3 FT #SUB 247 230 ARG H 458 441 ARG F Protein S 2 FT #SUB 247 230 ARG H 459 442 TYR F Protein A 2 FT #SUB 250 233 TRP H 458 441 ARG F Protein S 19 FT #SUB 250 233 TRP H 459 442 TYR F Protein S 5 FT #SUB 286 269 GLU H 460 443 PRO F Protein B 1 FT #SUB 286 269 GLU H 461 444 PRO F Protein B 2 FT #SUB 287 270 PHE H 459 442 TYR F Protein S 4 FT #SUB 287 270 PHE H 460 443 PRO F Protein A 13 FT #SUB 287 270 PHE H 461 444 PRO F Protein B 2 FT #SUB 296 279 ARG H 462 445 SER F Protein S 2 FT #SUB 296 279 ARG H 463 446 PRO F Protein S 1 FT #SUB 297 280 ASP H 462 445 SER F Protein S 8 FT #SUB 375 358 GLU H 196 179 ARG F Protein S 7 FT #SUB 376 359 LYS H 121 104 LEU F Protein S 1 FT #SUB 380 363 LEU H 442 425 ARG F Protein S 2 FT #SUB 383 366 PHE H 449 432 LEU F Protein S 1 FT #SUB 391 374 LYS H 113 96 GLU F Protein S 1 FT #SUB 394 377 ILE H 115 98 TYR F Protein S 1 FT #SUB 394 377 ILE H 117 100 HIS F Protein S 3 FT #SUB 394 377 ILE H 442 425 ARG F Protein A 4 FT #SUB 395 378 ALA H 37 20 ARG F Protein B 3 FT #SUB 397 380 THR H 119 102 GLU F Protein B 1 FT #SUB 397 380 THR H 442 425 ARG F Protein A 6 FT #SUB 398 381 SER H 119 102 GLU F Protein A 4 FT #SUB 398 381 SER H 442 425 ARG F Protein B 6 FT #SUB 399 382 SER H 119 102 GLU F Protein B 2 FT #SUB 399 382 SER H 440 423 HIS F Protein B 3 FT #SUB 399 382 SER H 442 425 ARG F Protein A 15 FT #SUB 400 383 GLY H 440 423 HIS F Protein B 4 FT #SUB 400 383 GLY H 442 425 ARG F Protein B 3 FT #SUB 400 383 GLY H 443 426 SER F Protein B 1 FT #SUB 401 384 GLY H 443 426 SER F Protein B 2 FT #SUB 402 385 VAL H 442 425 ARG F Protein S 3 FT #SUB 402 385 VAL H 443 426 SER F Protein B 5 FT #SUB 402 385 VAL H 444 427 CYS F Protein B 2 FT #SUB 402 385 VAL H 445 428 LEU F Protein B 4 FT #SUB 403 386 ALA H 445 428 LEU F Protein A 3 FT #SUB 404 387 ALA H 445 428 LEU F Protein B 4 FT #SUB 404 387 ALA H 446 429 VAL F Protein A 4 FT #SUB 404 387 ALA H 447 430 ARG F Protein B 4 FT #SUB 405 388 ASN H 447 430 ARG F Protein S 3 FT #SUB 405 388 ASN H 449 432 LEU F Protein S 5 FT #SUB 406 389 ASP H 447 430 ARG F Protein S 8 FT #SUB 406 389 ASP H 458 441 ARG F Protein S 8 FT #SUB 409 392 VAL H 445 428 LEU F Protein A 3 FT #SUB 409 392 VAL H 447 430 ARG F Protein S 3 FT #SUB 409 392 VAL H 458 441 ARG F Protein S 1 FT #SUB 410 393 HIS H 445 428 LEU F Protein A 3 FT #SUB 413 396 LEU H 109 92 THR F Protein S 1 FT #SUB 413 396 LEU H 114 97 LEU F Protein S 2 FT #SUB 415 398 SER H 103 86 VAL F Protein A 6 FT #SUB 415 398 SER H 104 87 GLU F Protein S 4 FT #SUB 415 398 SER H 114 97 LEU F Protein S 1 FT #SUB 416 399 LEU H 103 86 VAL F Protein S 1 FT #SUB 416 399 LEU H 115 98 TYR F Protein S 1 FT #SUB 416 399 LEU H 443 426 SER F Protein A 6 FT #SUB 416 399 LEU H 444 427 CYS F Protein S 2 FT #SUB 417 400 PRO H 116 99 ILE F Protein S 1 FT #SUB 417 400 PRO H 443 426 SER F Protein A 6 FT #SUB 420 403 GLY H 440 423 HIS F Protein B 1 FT #SUB 421 404 VAL H 440 423 HIS F Protein S 10 FT #SUB 423 406 ASN H 196 179 ARG F Protein S 1 FT #SUB 426 409 MET H 220 203 LEU F Protein S 2 FT #SUB 426 409 MET H 221 204 THR F Protein S 2 FT #SUB 426 409 MET H 222 205 PRO F Protein S 2 FT #SUB 440 423 HIS H 399 382 SER F Protein S 3 FT #SUB 440 423 HIS H 400 383 GLY F Protein S 4 FT #SUB 440 423 HIS H 420 403 GLY F Protein S 1 FT #SUB 440 423 HIS H 421 404 VAL F Protein S 10 FT #SUB 442 425 ARG H 380 363 LEU F Protein S 1 FT #SUB 442 425 ARG H 394 377 ILE F Protein S 4 FT #SUB 442 425 ARG H 397 380 THR F Protein S 8 FT #SUB 442 425 ARG H 398 381 SER F Protein S 7 FT #SUB 442 425 ARG H 399 382 SER F Protein S 14 FT #SUB 442 425 ARG H 400 383 GLY F Protein A 2 FT #SUB 442 425 ARG H 402 385 VAL F Protein S 3 FT #SUB 443 426 SER H 400 383 GLY F Protein B 1 FT #SUB 443 426 SER H 401 384 GLY F Protein B 2 FT #SUB 443 426 SER H 402 385 VAL F Protein B 5 FT #SUB 443 426 SER H 416 399 LEU F Protein S 5 FT #SUB 443 426 SER H 417 400 PRO F Protein S 5 FT #SUB 444 427 CYS H 402 385 VAL F Protein B 2 FT #SUB 444 427 CYS H 416 399 LEU F Protein B 1 FT #SUB 445 428 LEU H 402 385 VAL F Protein A 5 FT #SUB 445 428 LEU H 403 386 ALA F Protein B 3 FT #SUB 445 428 LEU H 404 387 ALA F Protein B 5 FT #SUB 445 428 LEU H 409 392 VAL F Protein S 1 FT #SUB 445 428 LEU H 410 393 HIS F Protein S 4 FT #SUB 446 429 VAL H 404 387 ALA F Protein A 5 FT #SUB 447 430 ARG H 404 387 ALA F Protein A 5 FT #SUB 447 430 ARG H 405 388 ASN F Protein B 5 FT #SUB 447 430 ARG H 406 389 ASP F Protein S 9 FT #SUB 447 430 ARG H 409 392 VAL F Protein S 3 FT #SUB 448 431 PRO H 247 230 ARG F Protein B 1 FT #SUB 449 432 LEU H 239 222 CYS F Protein S 2 FT #SUB 449 432 LEU H 240 223 ASP F Protein S 2 FT #SUB 449 432 LEU H 383 366 PHE F Protein S 1 FT #SUB 449 432 LEU H 405 388 ASN F Protein A 7 FT #SUB 450 433 MET H 243 226 VAL F Protein B 1 FT #SUB 450 433 MET H 247 230 ARG F Protein B 2 FT #SUB 451 434 ASN H 243 226 VAL F Protein B 1 FT #SUB 457 440 VAL H 73 56 TRP F Protein B 2 FT #SUB 458 441 ARG H 73 56 TRP F Protein B 1 FT #SUB 458 441 ARG H 247 230 ARG F Protein S 1 FT #SUB 458 441 ARG H 250 233 TRP F Protein A 14 FT #SUB 458 441 ARG H 406 389 ASP F Protein S 6 FT #SUB 458 441 ARG H 409 392 VAL F Protein S 1 FT #SUB 459 442 TYR H 247 230 ARG F Protein S 1 FT #SUB 459 442 TYR H 250 233 TRP F Protein S 5 FT #SUB 459 442 TYR H 287 270 PHE F Protein S 4 FT #SUB 460 443 PRO H 286 269 GLU F Protein B 1 FT #SUB 460 443 PRO H 287 270 PHE F Protein A 14 FT #SUB 461 444 PRO H 286 269 GLU F Protein S 1 FT #SUB 461 444 PRO H 287 270 PHE F Protein B 1 FT #SUB 461 444 PRO H 297 280 ASP F Protein A 5 FT #SUB 462 445 SER H 71 54 ASN F Protein S 1 FT #SUB 462 445 SER H 73 56 TRP F Protein S 5 FT #SUB 462 445 SER H 296 279 ARG F Protein A 6 FT #SUB 462 445 SER H 297 280 ASP F Protein A 8 FT #SUB 463 446 PRO H 73 56 TRP F Protein S 5 FT #SUB 463 446 PRO H 296 279 ARG F Protein B 1 FT #HET 77 60 TYR H 8 501 04T H B 1 FT #HET 78 61 GLU H 8 501 04T H A 11 FT #HET 82 65 TYR H 8 501 04T H S 14 FT #HET 131 114 ASN H 8 501 04T H S 1 FT #HET 132 115 TYR H 8 501 04T H S 18 FT #HET 135 118 ASN H 8 501 04T H S 10 FT #HET 136 119 LEU H 8 501 04T H S 2 FT #HET 250 233 TRP H 8 501 04T H S 6 FT #HET 254 237 MET H 8 501 04T H S 1 FT #HET 259 242 THR H 8 501 04T H A 3 FT #HET 260 243 CYS H 8 501 04T H A 10 FT #HET 261 244 VAL H 8 501 04T H A 6 FT #HET 408 391 ILE H 8 501 04T H S 3 FT #HET 409 392 VAL H 8 501 04T H S 1 FT #HET 411 394 ILE H 8 501 04T H S 4 FT #HET 412 395 THR H 8 501 04T H S 4 FT #HET 418 401 PHE H 8 501 04T H S 2 FT #HET 458 441 ARG H 6 501 04T F S 1 FT DISORDER 1 17 FT DISORDER 465 469 CC SEQUENCE 447 AA (ATOM); CC SKISEAVKRA RAAFSSGRTR PLQFRIQQLE ALQRLIQEQE QELVGALAAD LHKNEWNAYY CC EEVVYVLEEI EYMIQKLPEW AADEPVEKTP QTQQDELYIH SEPLGVVLVI GTWNYPFNLT CC IQPMVGAIAA GNAVVLKPSE LSENMASLLA TIIPQYLDKD LYPVINGGVP ETTELLKERF CC DHILYTGSTG VGKIIMTAAA KHLTPVTLEL GGKSPCYVDK NCDLDVACRR IAWGKFMNSG CC QTCVAPDYIL CDPSIQNQIV EKLKKSLKEF YGEDAKKSRD YGRIISARHF QRVMGLIEGQ CC KVAYGGTGDA ATRYIAPTIL TDVDPQSPVM QEEIFGPVLP IVCVRSLEEA IQFINQREKP CC LALYMFSSND KVIKKMIAET SSGGVAANDV IVHITLHSLP FGGVGNSGMG SYHGKKSFET CC FSHRRSCLVR PLMNDEGLKV RYPPSPA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HHHHHHSSGLVPRGSHMSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ATOM -----------------SKISEAVKRARAAFSSGRTRPLQFRIQQLEALQ CC ********************************* CC SEQRES RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ATOM RLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAAD CC ************************************************** CC SEQRES EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ATOM EPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNA CC ************************************************** CC SEQRES VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ATOM VVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHI CC ************************************************** CC SEQRES LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ATOM LYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAW CC ************************************************** CC SEQRES GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ATOM GKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGR CC ************************************************** CC SEQRES IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ATOM IISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEE CC ************************************************** CC SEQRES IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ATOM IFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSG CC ************************************************** CC SEQRES GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ATOM GVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLM CC ************************************************** CC SEQRES NDEGLKVRYPPSPAKMTQH CC ATOM NDEGLKVRYPPSPA----- CC ************** SQ SEQUENCE 469 AA; MW; CN; HHHHHHSSGL VPRGSHMSKI SEAVKRARAA FSSGRTRPLQ FRIQQLEALQ RLIQEQEQEL VGALAADLHK NEWNAYYEEV VYVLEEIEYM IQKLPEWAAD EPVEKTPQTQ QDELYIHSEP LGVVLVIGTW NYPFNLTIQP MVGAIAAGNA VVLKPSELSE NMASLLATII PQYLDKDLYP VINGGVPETT ELLKERFDHI LYTGSTGVGK IIMTAAAKHL TPVTLELGGK SPCYVDKNCD LDVACRRIAW GKFMNSGQTC VAPDYILCDP SIQNQIVEKL KKSLKEFYGE DAKKSRDYGR IISARHFQRV MGLIEGQKVA YGGTGDAATR YIAPTILTDV DPQSPVMQEE IFGPVLPIVC VRSLEEAIQF INQREKPLAL YMFSSNDKVI KKMIAETSSG GVAANDVIVH ITLHSLPFGG VGNSGMGSYH GKKSFETFSH RRSCLVRPLM NDEGLKVRYP PSPAKMTQH //