ID 1BUCA STANDARD; PRT; 383 AA. DT CONVERTED FROM PDB (SEQRES) 1BUC DE BUTYRYL-COA DEHYDROGENASE OS Megasphaera elsdenii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.193 FT #SUB 1 1 MET A 2 2 ASP B Protein B 5 FT #SUB 1 1 MET A 3 3 PHE B Protein S 3 FT #SUB 1 1 MET A 4 4 ASN B Protein A 4 FT #SUB 1 1 MET A 5 5 LEU B Protein S 1 FT #SUB 1 1 MET A 70 70 LEU B Protein S 2 FT #SUB 1 1 MET A 304 304 TYR B Protein S 2 FT #SUB 1 1 MET A 308 308 CYS B Protein S 1 FT #SUB 2 2 ASP A 1 1 MET B Protein A 5 FT #SUB 2 2 ASP A 2 2 ASP B Protein A 10 FT #SUB 3 3 PHE A 1 1 MET B Protein A 4 FT #SUB 3 3 PHE A 3 3 PHE B Protein S 4 FT #SUB 3 3 PHE A 301 301 ASN B Protein S 2 FT #SUB 3 3 PHE A 305 305 LYS B Protein S 8 FT #SUB 4 4 ASN A 1 1 MET B Protein B 4 FT #SUB 4 4 ASN A 312 312 GLU B Protein S 5 FT #SUB 4 4 ASN A 314 314 LYS B Protein S 2 FT #SUB 5 5 LEU A 1 1 MET B Protein S 1 FT #SUB 70 70 LEU A 1 1 MET B Protein S 2 FT #SUB 266 266 VAL A 381 381 LEU B Protein S 1 FT #SUB 266 266 VAL A 382 382 LEU B Protein S 1 FT #SUB 280 280 CYS A 382 382 LEU B Protein A 3 FT #SUB 287 287 PHE A 371 371 GLU B Protein S 1 FT #SUB 287 287 PHE A 374 374 LEU B Protein S 2 FT #SUB 287 287 PHE A 375 375 MET B Protein S 1 FT #SUB 289 289 LEU A 381 381 LEU B Protein A 3 FT #SUB 289 289 LEU A 382 382 LEU B Protein S 1 FT #SUB 290 290 ALA A 374 374 LEU B Protein S 2 FT #SUB 290 290 ALA A 378 378 GLY B Protein S 1 FT #SUB 291 291 ASP A 325 325 ARG B Protein S 4 FT #SUB 293 293 LYS A 377 377 THR B Protein S 1 FT #SUB 293 293 LYS A 381 381 LEU B Protein S 4 FT #SUB 294 294 MET A 321 321 ALA B Protein S 1 FT #SUB 294 294 MET A 322 322 ILE B Protein S 3 FT #SUB 294 294 MET A 325 325 ARG B Protein S 6 FT #SUB 294 294 MET A 373 373 GLN B Protein S 2 FT #SUB 294 294 MET A 377 377 THR B Protein S 1 FT #SUB 297 297 GLU A 302 302 LEU B Protein B 1 FT #SUB 297 297 GLU A 322 322 ILE B Protein S 1 FT #SUB 298 298 ALA A 302 302 LEU B Protein B 1 FT #SUB 301 301 ASN A 3 3 PHE B Protein B 1 FT #SUB 301 301 ASN A 301 301 ASN B Protein S 1 FT #SUB 301 301 ASN A 302 302 LEU B Protein S 1 FT #SUB 301 301 ASN A 305 305 LYS B Protein S 3 FT #SUB 302 302 LEU A 297 297 GLU B Protein S 2 FT #SUB 302 302 LEU A 298 298 ALA B Protein S 3 FT #SUB 302 302 LEU A 301 301 ASN B Protein S 1 FT #SUB 304 304 TYR A 1 1 MET B Protein S 1 FT #SUB 305 305 LYS A 3 3 PHE B Protein A 10 FT #SUB 305 305 LYS A 301 301 ASN B Protein S 2 FT #SUB 308 308 CYS A 1 1 MET B Protein S 1 FT #SUB 308 308 CYS A 3 3 PHE B Protein S 1 FT #SUB 312 312 GLU A 2 2 ASP B Protein S 1 FT #SUB 312 312 GLU A 4 4 ASN B Protein S 5 FT #SUB 314 314 LYS A 4 4 ASN B Protein S 2 FT #SUB 321 321 ALA A 294 294 MET B Protein B 1 FT #SUB 322 322 ILE A 294 294 MET B Protein B 1 FT #SUB 322 322 ILE A 297 297 GLU B Protein S 1 FT #SUB 325 325 ARG A 291 291 ASP B Protein S 5 FT #SUB 325 325 ARG A 294 294 MET B Protein S 6 FT #SUB 371 371 GLU A 287 287 PHE B Protein B 1 FT #SUB 373 373 GLN A 294 294 MET B Protein B 1 FT #SUB 374 374 LEU A 290 290 ALA B Protein A 3 FT #SUB 374 374 LEU A 291 291 ASP B Protein S 1 FT #SUB 374 374 LEU A 294 294 MET B Protein S 2 FT #SUB 375 375 MET A 287 287 PHE B Protein S 2 FT #SUB 377 377 THR A 293 293 LYS B Protein S 1 FT #SUB 377 377 THR A 294 294 MET B Protein S 1 FT #SUB 378 378 GLY A 290 290 ALA B Protein B 2 FT #SUB 381 381 LEU A 266 266 VAL B Protein B 1 FT #SUB 381 381 LEU A 289 289 LEU B Protein S 3 FT #SUB 381 381 LEU A 293 293 LYS B Protein S 2 FT #SUB 382 382 LEU A 280 280 CYS B Protein S 3 FT #SUB 382 382 LEU A 286 286 SER B Protein S 1 FT #HET 96 96 LEU A 1 384 CAA A S 3 FT #HET 126 126 PHE A 1 384 CAA A S 2 FT #HET 126 126 PHE A 2 385 FAD A A 6 FT #HET 128 128 LEU A 2 385 FAD A A 4 FT #HET 129 129 THR A 1 384 CAA A S 1 FT #HET 129 129 THR A 2 385 FAD A A 14 FT #HET 134 134 GLY A 1 384 CAA A B 4 FT #HET 134 134 GLY A 2 385 FAD A B 6 FT #HET 135 135 THR A 1 384 CAA A B 8 FT #HET 135 135 THR A 2 385 FAD A A 14 FT #HET 137 137 ALA A 1 384 CAA A A 2 FT #HET 138 138 SER A 1 384 CAA A S 1 FT #HET 160 160 PHE A 2 385 FAD A A 20 FT #HET 161 161 ILE A 2 385 FAD A A 5 FT #HET 162 162 THR A 1 384 CAA A S 3 FT #HET 162 162 THR A 2 385 FAD A A 12 FT #HET 182 182 ASN A 1 384 CAA A S 7 FT #HET 183 183 HIS A 1 384 CAA A S 6 FT #HET 205 205 LYS A 2 385 FAD A S 1 FT #HET 213 213 THR A 2 385 FAD A S 2 FT #HET 236 236 PHE A 1 384 CAA A S 10 FT #HET 240 240 MET A 1 384 CAA A S 11 FT #HET 241 241 MET A 1 384 CAA A S 2 FT #HET 243 243 LEU A 1 384 CAA A S 5 FT #HET 244 244 ASP A 1 384 CAA A S 3 FT #HET 247 247 ARG A 1 384 CAA A S 2 FT #HET 283 283 GLN A 4 385 FAD B S 3 FT #HET 317 317 THR A 1 384 CAA A S 2 FT #HET 362 362 ILE A 2 385 FAD A S 1 FT #HET 365 365 ILE A 2 385 FAD A B 1 FT #HET 366 366 TYR A 1 384 CAA A A 5 FT #HET 366 366 TYR A 2 385 FAD A A 3 FT #HET 367 367 GLU A 1 384 CAA A A 17 FT #HET 367 367 GLU A 2 385 FAD A B 1 FT #HET 368 368 GLY A 1 384 CAA A B 2 FT #HET 369 369 THR A 2 385 FAD A S 6 FT #HET 371 371 GLU A 2 385 FAD A S 6 FT #HET 372 372 VAL A 1 384 CAA A S 1 FT #HET 375 375 MET A 2 385 FAD A S 4 CC SEQUENCE 383 AA (ATOM); CC MDFNLTDIQQ DFLKLAHDFG EKKLAPTVTE RDHKGIYDKE LIDELLSLGI TGAYFEEKYG CC GSGDDGGDVL SYILAVEELA KYDAGVAITL SATVSLCANP IWQFGTEAQK EKFLVPLVEG CC TKLGAFGLTE PNAGTDASGQ QTIATKNDDG TYTLNGSKIF ITNGGAADIY IVFAMTDKSK CC GNHGITAFIL EDGTPGFTYG KKEDKMGIHT SQTMELVFQD VKVPAENMLG EEGKGFKIAM CC MTLDGGRIGV AAQALGIAEA ALADAVEYSK QRVQFGKPLC KFQSISFKLA DMKMQIEAAR CC NLVYKAACKK QEGKPFTVDA AIAKRVASDV AMRVTTEAVQ IFGGYGYSEE YPVARHMRDA CC KITQIYEGTN EVQLMVTGGA LLR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDFNLTDIQQDFLKLAHDFGEKKLAPTVTERDHKGIYDKELIDELLSLGI CC ATOM MDFNLTDIQQDFLKLAHDFGEKKLAPTVTERDHKGIYDKELIDELLSLGI CC ************************************************** CC SEQRES TGAYFEEKYGGSGDDGGDVLSYILAVEELAKYDAGVAITLSATVSLCANP CC ATOM TGAYFEEKYGGSGDDGGDVLSYILAVEELAKYDAGVAITLSATVSLCANP CC ************************************************** CC SEQRES IWQFGTEAQKEKFLVPLVEGTKLGAFGLTEPNAGTDASGQQTIATKNDDG CC ATOM IWQFGTEAQKEKFLVPLVEGTKLGAFGLTEPNAGTDASGQQTIATKNDDG CC ************************************************** CC SEQRES TYTLNGSKIFITNGGAADIYIVFAMTDKSKGNHGITAFILEDGTPGFTYG CC ATOM TYTLNGSKIFITNGGAADIYIVFAMTDKSKGNHGITAFILEDGTPGFTYG CC ************************************************** CC SEQRES KKEDKMGIHTSQTMELVFQDVKVPAENMLGEEGKGFKIAMMTLDGGRIGV CC ATOM KKEDKMGIHTSQTMELVFQDVKVPAENMLGEEGKGFKIAMMTLDGGRIGV CC ************************************************** CC SEQRES AAQALGIAEAALADAVEYSKQRVQFGKPLCKFQSISFKLADMKMQIEAAR CC ATOM AAQALGIAEAALADAVEYSKQRVQFGKPLCKFQSISFKLADMKMQIEAAR CC ************************************************** CC SEQRES NLVYKAACKKQEGKPFTVDAAIAKRVASDVAMRVTTEAVQIFGGYGYSEE CC ATOM NLVYKAACKKQEGKPFTVDAAIAKRVASDVAMRVTTEAVQIFGGYGYSEE CC ************************************************** CC SEQRES YPVARHMRDAKITQIYEGTNEVQLMVTGGALLR CC ATOM YPVARHMRDAKITQIYEGTNEVQLMVTGGALLR CC ********************************* SQ SEQUENCE 383 AA; MW; CN; MDFNLTDIQQ DFLKLAHDFG EKKLAPTVTE RDHKGIYDKE LIDELLSLGI TGAYFEEKYG GSGDDGGDVL SYILAVEELA KYDAGVAITL SATVSLCANP IWQFGTEAQK EKFLVPLVEG TKLGAFGLTE PNAGTDASGQ QTIATKNDDG TYTLNGSKIF ITNGGAADIY IVFAMTDKSK GNHGITAFIL EDGTPGFTYG KKEDKMGIHT SQTMELVFQD VKVPAENMLG EEGKGFKIAM MTLDGGRIGV AAQALGIAEA ALADAVEYSK QRVQFGKPLC KFQSISFKLA DMKMQIEAAR NLVYKAACKK QEGKPFTVDA AIAKRVASDV AMRVTTEAVQ IFGGYGYSEE YPVARHMRDA KITQIYEGTN EVQLMVTGGA LLR // ID 1BUCB STANDARD; PRT; 383 AA. DT CONVERTED FROM PDB (SEQRES) 1BUC DE BUTYRYL-COA DEHYDROGENASE OS Megasphaera elsdenii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.193 FT #SUB 1 1 MET B 2 2 ASP A Protein B 5 FT #SUB 1 1 MET B 3 3 PHE A Protein S 4 FT #SUB 1 1 MET B 4 4 ASN A Protein A 4 FT #SUB 1 1 MET B 5 5 LEU A Protein S 1 FT #SUB 1 1 MET B 70 70 LEU A Protein S 2 FT #SUB 1 1 MET B 304 304 TYR A Protein S 1 FT #SUB 1 1 MET B 308 308 CYS A Protein S 1 FT #SUB 2 2 ASP B 1 1 MET A Protein A 5 FT #SUB 2 2 ASP B 2 2 ASP A Protein A 10 FT #SUB 2 2 ASP B 312 312 GLU A Protein S 1 FT #SUB 3 3 PHE B 1 1 MET A Protein B 3 FT #SUB 3 3 PHE B 3 3 PHE A Protein S 4 FT #SUB 3 3 PHE B 301 301 ASN A Protein S 1 FT #SUB 3 3 PHE B 305 305 LYS A Protein S 10 FT #SUB 3 3 PHE B 308 308 CYS A Protein S 1 FT #SUB 4 4 ASN B 1 1 MET A Protein B 4 FT #SUB 4 4 ASN B 312 312 GLU A Protein S 5 FT #SUB 4 4 ASN B 314 314 LYS A Protein S 2 FT #SUB 5 5 LEU B 1 1 MET A Protein S 1 FT #SUB 70 70 LEU B 1 1 MET A Protein S 2 FT #SUB 266 266 VAL B 381 381 LEU A Protein S 1 FT #SUB 280 280 CYS B 382 382 LEU A Protein A 3 FT #SUB 286 286 SER B 382 382 LEU A Protein S 1 FT #SUB 287 287 PHE B 371 371 GLU A Protein S 1 FT #SUB 287 287 PHE B 375 375 MET A Protein S 2 FT #SUB 289 289 LEU B 381 381 LEU A Protein A 3 FT #SUB 290 290 ALA B 374 374 LEU A Protein S 3 FT #SUB 290 290 ALA B 378 378 GLY A Protein S 2 FT #SUB 291 291 ASP B 325 325 ARG A Protein S 5 FT #SUB 291 291 ASP B 374 374 LEU A Protein B 1 FT #SUB 293 293 LYS B 377 377 THR A Protein S 1 FT #SUB 293 293 LYS B 381 381 LEU A Protein S 2 FT #SUB 294 294 MET B 321 321 ALA A Protein S 1 FT #SUB 294 294 MET B 322 322 ILE A Protein S 1 FT #SUB 294 294 MET B 325 325 ARG A Protein S 6 FT #SUB 294 294 MET B 373 373 GLN A Protein S 1 FT #SUB 294 294 MET B 374 374 LEU A Protein S 2 FT #SUB 294 294 MET B 377 377 THR A Protein S 1 FT #SUB 297 297 GLU B 302 302 LEU A Protein B 2 FT #SUB 297 297 GLU B 322 322 ILE A Protein S 1 FT #SUB 298 298 ALA B 302 302 LEU A Protein A 3 FT #SUB 301 301 ASN B 3 3 PHE A Protein B 2 FT #SUB 301 301 ASN B 301 301 ASN A Protein S 1 FT #SUB 301 301 ASN B 302 302 LEU A Protein S 1 FT #SUB 301 301 ASN B 305 305 LYS A Protein S 2 FT #SUB 302 302 LEU B 297 297 GLU A Protein S 1 FT #SUB 302 302 LEU B 298 298 ALA A Protein S 1 FT #SUB 302 302 LEU B 301 301 ASN A Protein S 1 FT #SUB 304 304 TYR B 1 1 MET A Protein S 2 FT #SUB 305 305 LYS B 3 3 PHE A Protein A 8 FT #SUB 305 305 LYS B 301 301 ASN A Protein S 3 FT #SUB 308 308 CYS B 1 1 MET A Protein S 1 FT #SUB 312 312 GLU B 4 4 ASN A Protein S 5 FT #SUB 314 314 LYS B 4 4 ASN A Protein S 2 FT #SUB 321 321 ALA B 294 294 MET A Protein B 1 FT #SUB 322 322 ILE B 294 294 MET A Protein A 3 FT #SUB 322 322 ILE B 297 297 GLU A Protein S 1 FT #SUB 325 325 ARG B 291 291 ASP A Protein S 4 FT #SUB 325 325 ARG B 294 294 MET A Protein S 6 FT #SUB 371 371 GLU B 287 287 PHE A Protein B 1 FT #SUB 373 373 GLN B 294 294 MET A Protein B 2 FT #SUB 374 374 LEU B 287 287 PHE A Protein S 2 FT #SUB 374 374 LEU B 290 290 ALA A Protein A 2 FT #SUB 375 375 MET B 287 287 PHE A Protein S 1 FT #SUB 377 377 THR B 293 293 LYS A Protein S 1 FT #SUB 377 377 THR B 294 294 MET A Protein S 1 FT #SUB 378 378 GLY B 290 290 ALA A Protein B 1 FT #SUB 381 381 LEU B 266 266 VAL A Protein B 1 FT #SUB 381 381 LEU B 289 289 LEU A Protein S 3 FT #SUB 381 381 LEU B 293 293 LYS A Protein S 4 FT #SUB 382 382 LEU B 266 266 VAL A Protein S 1 FT #SUB 382 382 LEU B 280 280 CYS A Protein S 3 FT #SUB 382 382 LEU B 289 289 LEU A Protein S 1 FT #HET 92 92 ALA B 3 384 CAA B S 1 FT #HET 96 96 LEU B 3 384 CAA B S 3 FT #HET 126 126 PHE B 3 384 CAA B S 2 FT #HET 126 126 PHE B 4 385 FAD B B 5 FT #HET 128 128 LEU B 4 385 FAD B A 4 FT #HET 129 129 THR B 3 384 CAA B S 1 FT #HET 129 129 THR B 4 385 FAD B A 13 FT #HET 134 134 GLY B 3 384 CAA B B 2 FT #HET 134 134 GLY B 4 385 FAD B B 6 FT #HET 135 135 THR B 3 384 CAA B B 10 FT #HET 135 135 THR B 4 385 FAD B A 13 FT #HET 137 137 ALA B 3 384 CAA B B 1 FT #HET 160 160 PHE B 4 385 FAD B A 17 FT #HET 161 161 ILE B 4 385 FAD B A 6 FT #HET 162 162 THR B 3 384 CAA B S 2 FT #HET 162 162 THR B 4 385 FAD B A 12 FT #HET 182 182 ASN B 3 384 CAA B S 4 FT #HET 183 183 HIS B 3 384 CAA B S 5 FT #HET 205 205 LYS B 4 385 FAD B S 1 FT #HET 213 213 THR B 4 385 FAD B S 1 FT #HET 236 236 PHE B 3 384 CAA B S 11 FT #HET 240 240 MET B 3 384 CAA B S 11 FT #HET 241 241 MET B 3 384 CAA B S 4 FT #HET 243 243 LEU B 3 384 CAA B S 3 FT #HET 244 244 ASP B 3 384 CAA B S 2 FT #HET 247 247 ARG B 3 384 CAA B S 2 FT #HET 283 283 GLN B 2 385 FAD A S 7 FT #HET 362 362 ILE B 4 385 FAD B S 1 FT #HET 365 365 ILE B 4 385 FAD B B 1 FT #HET 366 366 TYR B 3 384 CAA B A 5 FT #HET 366 366 TYR B 4 385 FAD B A 7 FT #HET 367 367 GLU B 3 384 CAA B A 20 FT #HET 367 367 GLU B 4 385 FAD B B 1 FT #HET 368 368 GLY B 3 384 CAA B B 5 FT #HET 368 368 GLY B 4 385 FAD B B 1 FT #HET 369 369 THR B 4 385 FAD B S 6 FT #HET 371 371 GLU B 4 385 FAD B S 6 FT #HET 375 375 MET B 4 385 FAD B S 3 CC SEQUENCE 383 AA (ATOM); CC MDFNLTDIQQ DFLKLAHDFG EKKLAPTVTE RDHKGIYDKE LIDELLSLGI TGAYFEEKYG CC GSGDDGGDVL SYILAVEELA KYDAGVAITL SATVSLCANP IWQFGTEAQK EKFLVPLVEG CC TKLGAFGLTE PNAGTDASGQ QTIATKNDDG TYTLNGSKIF ITNGGAADIY IVFAMTDKSK CC GNHGITAFIL EDGTPGFTYG KKEDKMGIHT SQTMELVFQD VKVPAENMLG EEGKGFKIAM CC MTLDGGRIGV AAQALGIAEA ALADAVEYSK QRVQFGKPLC KFQSISFKLA DMKMQIEAAR CC NLVYKAACKK QEGKPFTVDA AIAKRVASDV AMRVTTEAVQ IFGGYGYSEE YPVARHMRDA CC KITQIYEGTN EVQLMVTGGA LLR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDFNLTDIQQDFLKLAHDFGEKKLAPTVTERDHKGIYDKELIDELLSLGI CC ATOM MDFNLTDIQQDFLKLAHDFGEKKLAPTVTERDHKGIYDKELIDELLSLGI CC ************************************************** CC SEQRES TGAYFEEKYGGSGDDGGDVLSYILAVEELAKYDAGVAITLSATVSLCANP CC ATOM TGAYFEEKYGGSGDDGGDVLSYILAVEELAKYDAGVAITLSATVSLCANP CC ************************************************** CC SEQRES IWQFGTEAQKEKFLVPLVEGTKLGAFGLTEPNAGTDASGQQTIATKNDDG CC ATOM IWQFGTEAQKEKFLVPLVEGTKLGAFGLTEPNAGTDASGQQTIATKNDDG CC ************************************************** CC SEQRES TYTLNGSKIFITNGGAADIYIVFAMTDKSKGNHGITAFILEDGTPGFTYG CC ATOM TYTLNGSKIFITNGGAADIYIVFAMTDKSKGNHGITAFILEDGTPGFTYG CC ************************************************** CC SEQRES KKEDKMGIHTSQTMELVFQDVKVPAENMLGEEGKGFKIAMMTLDGGRIGV CC ATOM KKEDKMGIHTSQTMELVFQDVKVPAENMLGEEGKGFKIAMMTLDGGRIGV CC ************************************************** CC SEQRES AAQALGIAEAALADAVEYSKQRVQFGKPLCKFQSISFKLADMKMQIEAAR CC ATOM AAQALGIAEAALADAVEYSKQRVQFGKPLCKFQSISFKLADMKMQIEAAR CC ************************************************** CC SEQRES NLVYKAACKKQEGKPFTVDAAIAKRVASDVAMRVTTEAVQIFGGYGYSEE CC ATOM NLVYKAACKKQEGKPFTVDAAIAKRVASDVAMRVTTEAVQIFGGYGYSEE CC ************************************************** CC SEQRES YPVARHMRDAKITQIYEGTNEVQLMVTGGALLR CC ATOM YPVARHMRDAKITQIYEGTNEVQLMVTGGALLR CC ********************************* SQ SEQUENCE 383 AA; MW; CN; MDFNLTDIQQ DFLKLAHDFG EKKLAPTVTE RDHKGIYDKE LIDELLSLGI TGAYFEEKYG GSGDDGGDVL SYILAVEELA KYDAGVAITL SATVSLCANP IWQFGTEAQK EKFLVPLVEG TKLGAFGLTE PNAGTDASGQ QTIATKNDDG TYTLNGSKIF ITNGGAADIY IVFAMTDKSK GNHGITAFIL EDGTPGFTYG KKEDKMGIHT SQTMELVFQD VKVPAENMLG EEGKGFKIAM MTLDGGRIGV AAQALGIAEA ALADAVEYSK QRVQFGKPLC KFQSISFKLA DMKMQIEAAR NLVYKAACKK QEGKPFTVDA AIAKRVASDV AMRVTTEAVQ IFGGYGYSEE YPVARHMRDA KITQIYEGTN EVQLMVTGGA LLR //