ID 4RM3A STANDARD; PRT; 520 AA. DT CONVERTED FROM PDB (SEQRES) 4RM3 DE Benzoate-coenzyme A ligase OS Rhodopseudomonas palustris CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.760 CC R-Factor 0.186 FT #SUB 96 100 ASP A 96 100 ASP B Protein S 11 FT #SUB 96 100 ASP A 126 130 LYS B Protein S 4 FT #SUB 103 107 GLU A 183 187 ARG B Protein S 10 FT #SUB 118 122 PRO A 439 443 VAL B Protein S 4 FT #SUB 118 122 PRO A 440 444 GLN B Protein B 1 FT #SUB 119 123 VAL A 440 444 GLN B Protein S 1 FT #SUB 121 125 LYS A 435 439 GLU B Protein S 4 FT #SUB 121 125 LYS A 436 440 ALA B Protein S 1 FT #SUB 121 125 LYS A 439 443 VAL B Protein S 1 FT #SUB 122 126 ALA A 436 440 ALA B Protein A 3 FT #SUB 122 126 ALA A 440 444 GLN B Protein S 1 FT #SUB 125 129 THR A 181 185 THR B Protein B 3 FT #SUB 125 129 THR A 182 186 GLY B Protein B 3 FT #SUB 125 129 THR A 432 436 PHE B Protein S 3 FT #SUB 126 130 LYS A 96 100 ASP B Protein S 1 FT #SUB 126 130 LYS A 182 186 GLY B Protein B 4 FT #SUB 126 130 LYS A 183 187 ARG B Protein A 6 FT #SUB 127 131 SER A 182 186 GLY B Protein B 2 FT #SUB 128 132 ASP A 182 186 GLY B Protein S 2 FT #SUB 128 132 ASP A 183 187 ARG B Protein S 9 FT #SUB 140 144 ALA A 445 449 LEU B Protein B 1 FT #SUB 140 144 ALA A 468 472 ARG B Protein B 1 FT #SUB 141 145 ALA A 445 449 LEU B Protein S 1 FT #SUB 142 146 PRO A 446 450 GLU B Protein S 5 FT #SUB 142 146 PRO A 503 507 LYS B Protein S 2 FT #SUB 145 149 PRO A 506 510 THR B Protein A 2 FT #SUB 145 149 PRO A 507 511 GLY B Protein S 1 FT #SUB 145 149 PRO A 508 512 LYS B Protein S 3 FT #SUB 181 185 THR A 125 129 THR B Protein A 3 FT #SUB 182 186 GLY A 125 129 THR B Protein B 3 FT #SUB 182 186 GLY A 126 130 LYS B Protein B 5 FT #SUB 182 186 GLY A 127 131 SER B Protein B 2 FT #SUB 182 186 GLY A 128 132 ASP B Protein B 2 FT #SUB 183 187 ARG A 99 103 ALA B Protein S 1 FT #SUB 183 187 ARG A 103 107 GLU B Protein S 10 FT #SUB 183 187 ARG A 126 130 LYS B Protein A 6 FT #SUB 183 187 ARG A 128 132 ASP B Protein A 10 FT #SUB 388 392 LYS A 128 132 ASP B Protein S 1 FT #SUB 432 436 PHE A 125 129 THR B Protein A 3 FT #SUB 433 437 GLU A 125 129 THR B Protein B 1 FT #SUB 436 440 ALA A 121 125 LYS B Protein B 2 FT #SUB 436 440 ALA A 122 126 ALA B Protein S 3 FT #SUB 439 443 VAL A 118 122 PRO B Protein B 3 FT #SUB 439 443 VAL A 121 125 LYS B Protein S 1 FT #SUB 440 444 GLN A 118 122 PRO B Protein S 3 FT #SUB 440 444 GLN A 119 123 VAL B Protein S 1 FT #SUB 440 444 GLN A 122 126 ALA B Protein S 2 FT #SUB 445 449 LEU A 140 144 ALA B Protein S 1 FT #SUB 445 449 LEU A 141 145 ALA B Protein A 2 FT #SUB 446 450 GLU A 142 146 PRO B Protein S 5 FT #SUB 468 472 ARG A 140 144 ALA B Protein S 5 FT #SUB 485 489 ARG A 484 488 ASP B Protein S 4 FT #SUB 503 507 LYS A 142 146 PRO B Protein S 2 FT #SUB 506 510 THR A 143 147 LEU B Protein B 1 FT #SUB 506 510 THR A 144 148 GLU B Protein B 2 FT #SUB 506 510 THR A 145 149 PRO B Protein A 8 FT #SUB 507 511 GLY A 143 147 LEU B Protein B 1 FT #SUB 507 511 GLY A 145 149 PRO B Protein B 2 FT #SUB 508 512 LYS A 145 149 PRO B Protein A 4 FT #HET 223 227 ALA A 1 1000 FOA A A 2 FT #HET 224 228 TYR A 1 1000 FOA A A 11 FT #HET 298 302 ALA A 1 1000 FOA A S 2 FT #HET 299 303 GLY A 1 1000 FOA A B 4 FT #HET 322 326 ILE A 1 1000 FOA A B 2 FT #HET 323 327 GLY A 1 1000 FOA A B 17 FT #HET 324 328 SER A 1 1000 FOA A B 3 FT #HET 328 332 LEU A 1 1000 FOA A B 1 FT #HET 329 333 HIS A 1 1000 FOA A A 6 FT #HET 330 334 ILE A 1 1000 FOA A A 3 FT #HET 423 427 LYS A 1 1000 FOA A S 4 FT DISORDER 519 520 CC SEQUENCE 518 AA (ATOM); CC AVTPPPEKFN FAEHLLQTNR VRPDKTAFVD DISSLSFAQL EAQTRQLAAA LRAIGVKREE CC RVLLLMLDGT DWPVAFLGAI YAGIVPVAVN TLLTADDYAY MLEHSRAQAV LVSGALHPVL CC KAALTKSDHE VQRVIVSRPA APLEPGEVDF AEFVGAHAPL EKPAATQADD PAFWLYSSGS CC TGRPKGVVHT HANPYWTSEL YGRNTLHLRE DDVCFSAAKL FFAYGLGNAL TFPMTVGATT CC LLMGERPTPD AVFKRWLGGV GGVKPTVFYG APTGYAGMLA APNLPSRDQV ALRLASSAGE CC ALPAEIGQRF QRHFGLDIVD GIGSTEMLHI FLSNLPDRVR YGTTGWPVPG YQIELRGDGG CC GPVADGEPGD LYIHGPSSAT MYWGNRAKSR DTFQGGWTKS GDKYVRNDDG SYTYAGRTDD CC MLKVSGIYVS PFEIEATLVQ HPGVLEAAVV GVADEHGLTK PKAYVVPRPG QTLSETELKT CC FIKDRLAPYK YPRSTVFVAE LPKTATGKIQ RFKLREGV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES AVTPPPEKFNFAEHLLQTNRVRPDKTAFVDDISSLSFAQLEAQTRQLAAA CC ATOM AVTPPPEKFNFAEHLLQTNRVRPDKTAFVDDISSLSFAQLEAQTRQLAAA CC ************************************************** CC SEQRES LRAIGVKREERVLLLMLDGTDWPVAFLGAIYAGIVPVAVNTLLTADDYAY CC ATOM LRAIGVKREERVLLLMLDGTDWPVAFLGAIYAGIVPVAVNTLLTADDYAY CC ************************************************** CC SEQRES MLEHSRAQAVLVSGALHPVLKAALTKSDHEVQRVIVSRPAAPLEPGEVDF CC ATOM MLEHSRAQAVLVSGALHPVLKAALTKSDHEVQRVIVSRPAAPLEPGEVDF CC ************************************************** CC SEQRES AEFVGAHAPLEKPAATQADDPAFWLYSSGSTGRPKGVVHTHANPYWTSEL CC ATOM AEFVGAHAPLEKPAATQADDPAFWLYSSGSTGRPKGVVHTHANPYWTSEL CC ************************************************** CC SEQRES YGRNTLHLREDDVCFSAAKLFFAYGLGNALTFPMTVGATTLLMGERPTPD CC ATOM YGRNTLHLREDDVCFSAAKLFFAYGLGNALTFPMTVGATTLLMGERPTPD CC ************************************************** CC SEQRES AVFKRWLGGVGGVKPTVFYGAPTGYAGMLAAPNLPSRDQVALRLASSAGE CC ATOM AVFKRWLGGVGGVKPTVFYGAPTGYAGMLAAPNLPSRDQVALRLASSAGE CC ************************************************** CC SEQRES ALPAEIGQRFQRHFGLDIVDGIGSTEMLHIFLSNLPDRVRYGTTGWPVPG CC ATOM ALPAEIGQRFQRHFGLDIVDGIGSTEMLHIFLSNLPDRVRYGTTGWPVPG CC ************************************************** CC SEQRES YQIELRGDGGGPVADGEPGDLYIHGPSSATMYWGNRAKSRDTFQGGWTKS CC ATOM YQIELRGDGGGPVADGEPGDLYIHGPSSATMYWGNRAKSRDTFQGGWTKS CC ************************************************** CC SEQRES GDKYVRNDDGSYTYAGRTDDMLKVSGIYVSPFEIEATLVQHPGVLEAAVV CC ATOM GDKYVRNDDGSYTYAGRTDDMLKVSGIYVSPFEIEATLVQHPGVLEAAVV CC ************************************************** CC SEQRES GVADEHGLTKPKAYVVPRPGQTLSETELKTFIKDRLAPYKYPRSTVFVAE CC ATOM GVADEHGLTKPKAYVVPRPGQTLSETELKTFIKDRLAPYKYPRSTVFVAE CC ************************************************** CC SEQRES LPKTATGKIQRFKLREGVLG CC ATOM LPKTATGKIQRFKLREGV-- CC ****************** SQ SEQUENCE 520 AA; MW; CN; AVTPPPEKFN FAEHLLQTNR VRPDKTAFVD DISSLSFAQL EAQTRQLAAA LRAIGVKREE RVLLLMLDGT DWPVAFLGAI YAGIVPVAVN TLLTADDYAY MLEHSRAQAV LVSGALHPVL KAALTKSDHE VQRVIVSRPA APLEPGEVDF AEFVGAHAPL EKPAATQADD PAFWLYSSGS TGRPKGVVHT HANPYWTSEL YGRNTLHLRE DDVCFSAAKL FFAYGLGNAL TFPMTVGATT LLMGERPTPD AVFKRWLGGV GGVKPTVFYG APTGYAGMLA APNLPSRDQV ALRLASSAGE ALPAEIGQRF QRHFGLDIVD GIGSTEMLHI FLSNLPDRVR YGTTGWPVPG YQIELRGDGG GPVADGEPGD LYIHGPSSAT MYWGNRAKSR DTFQGGWTKS GDKYVRNDDG SYTYAGRTDD MLKVSGIYVS PFEIEATLVQ HPGVLEAAVV GVADEHGLTK PKAYVVPRPG QTLSETELKT FIKDRLAPYK YPRSTVFVAE LPKTATGKIQ RFKLREGVLG // ID 4RM3B STANDARD; PRT; 520 AA. DT CONVERTED FROM PDB (SEQRES) 4RM3 DE Benzoate-coenzyme A ligase OS Rhodopseudomonas palustris CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.760 CC R-Factor 0.186 FT #SUB 96 100 ASP B 96 100 ASP A Protein S 11 FT #SUB 96 100 ASP B 126 130 LYS A Protein S 1 FT #SUB 99 103 ALA B 183 187 ARG A Protein S 1 FT #SUB 103 107 GLU B 183 187 ARG A Protein S 10 FT #SUB 118 122 PRO B 439 443 VAL A Protein S 3 FT #SUB 118 122 PRO B 440 444 GLN A Protein A 3 FT #SUB 119 123 VAL B 440 444 GLN A Protein S 1 FT #SUB 121 125 LYS B 436 440 ALA A Protein S 2 FT #SUB 121 125 LYS B 439 443 VAL A Protein S 1 FT #SUB 122 126 ALA B 436 440 ALA A Protein A 3 FT #SUB 122 126 ALA B 440 444 GLN A Protein S 2 FT #SUB 125 129 THR B 181 185 THR A Protein B 3 FT #SUB 125 129 THR B 182 186 GLY A Protein B 3 FT #SUB 125 129 THR B 432 436 PHE A Protein S 3 FT #SUB 125 129 THR B 433 437 GLU A Protein S 1 FT #SUB 126 130 LYS B 96 100 ASP A Protein S 4 FT #SUB 126 130 LYS B 182 186 GLY A Protein B 5 FT #SUB 126 130 LYS B 183 187 ARG A Protein A 6 FT #SUB 127 131 SER B 182 186 GLY A Protein B 2 FT #SUB 128 132 ASP B 182 186 GLY A Protein S 2 FT #SUB 128 132 ASP B 183 187 ARG A Protein A 10 FT #SUB 128 132 ASP B 388 392 LYS A Protein S 1 FT #SUB 140 144 ALA B 445 449 LEU A Protein B 1 FT #SUB 140 144 ALA B 468 472 ARG A Protein A 5 FT #SUB 141 145 ALA B 445 449 LEU A Protein A 2 FT #SUB 142 146 PRO B 446 450 GLU A Protein S 5 FT #SUB 142 146 PRO B 503 507 LYS A Protein S 2 FT #SUB 143 147 LEU B 506 510 THR A Protein B 1 FT #SUB 143 147 LEU B 507 511 GLY A Protein B 1 FT #SUB 144 148 GLU B 506 510 THR A Protein B 2 FT #SUB 145 149 PRO B 506 510 THR A Protein A 8 FT #SUB 145 149 PRO B 507 511 GLY A Protein S 2 FT #SUB 145 149 PRO B 508 512 LYS A Protein S 4 FT #SUB 181 185 THR B 125 129 THR A Protein A 3 FT #SUB 182 186 GLY B 125 129 THR A Protein B 3 FT #SUB 182 186 GLY B 126 130 LYS A Protein B 4 FT #SUB 182 186 GLY B 127 131 SER A Protein B 2 FT #SUB 182 186 GLY B 128 132 ASP A Protein B 2 FT #SUB 183 187 ARG B 103 107 GLU A Protein S 10 FT #SUB 183 187 ARG B 126 130 LYS A Protein A 6 FT #SUB 183 187 ARG B 128 132 ASP A Protein A 9 FT #SUB 432 436 PHE B 125 129 THR A Protein A 3 FT #SUB 435 439 GLU B 121 125 LYS A Protein A 4 FT #SUB 436 440 ALA B 121 125 LYS A Protein B 1 FT #SUB 436 440 ALA B 122 126 ALA A Protein A 3 FT #SUB 439 443 VAL B 118 122 PRO A Protein A 4 FT #SUB 439 443 VAL B 121 125 LYS A Protein S 1 FT #SUB 440 444 GLN B 118 122 PRO A Protein S 1 FT #SUB 440 444 GLN B 119 123 VAL A Protein S 1 FT #SUB 440 444 GLN B 122 126 ALA A Protein S 1 FT #SUB 445 449 LEU B 140 144 ALA A Protein S 1 FT #SUB 445 449 LEU B 141 145 ALA A Protein B 1 FT #SUB 446 450 GLU B 142 146 PRO A Protein S 5 FT #SUB 468 472 ARG B 140 144 ALA A Protein S 1 FT #SUB 484 488 ASP B 485 489 ARG A Protein S 4 FT #SUB 503 507 LYS B 142 146 PRO A Protein S 2 FT #SUB 506 510 THR B 145 149 PRO A Protein B 2 FT #SUB 507 511 GLY B 145 149 PRO A Protein B 1 FT #SUB 508 512 LYS B 145 149 PRO A Protein A 3 FT #HET 223 227 ALA B 2 1000 FOA B A 2 FT #HET 224 228 TYR B 2 1000 FOA B A 11 FT #HET 298 302 ALA B 2 1000 FOA B S 2 FT #HET 299 303 GLY B 2 1000 FOA B B 4 FT #HET 322 326 ILE B 2 1000 FOA B A 3 FT #HET 323 327 GLY B 2 1000 FOA B B 20 FT #HET 324 328 SER B 2 1000 FOA B B 6 FT #HET 328 332 LEU B 2 1000 FOA B B 1 FT #HET 329 333 HIS B 2 1000 FOA B A 7 FT #HET 330 334 ILE B 2 1000 FOA B A 3 FT #HET 423 427 LYS B 2 1000 FOA B S 4 FT DISORDER 1 1 CC SEQUENCE 519 AA (ATOM); CC VTPPPEKFNF AEHLLQTNRV RPDKTAFVDD ISSLSFAQLE AQTRQLAAAL RAIGVKREER CC VLLLMLDGTD WPVAFLGAIY AGIVPVAVNT LLTADDYAYM LEHSRAQAVL VSGALHPVLK CC AALTKSDHEV QRVIVSRPAA PLEPGEVDFA EFVGAHAPLE KPAATQADDP AFWLYSSGST CC GRPKGVVHTH ANPYWTSELY GRNTLHLRED DVCFSAAKLF FAYGLGNALT FPMTVGATTL CC LMGERPTPDA VFKRWLGGVG GVKPTVFYGA PTGYAGMLAA PNLPSRDQVA LRLASSAGEA CC LPAEIGQRFQ RHFGLDIVDG IGSTEMLHIF LSNLPDRVRY GTTGWPVPGY QIELRGDGGG CC PVADGEPGDL YIHGPSSATM YWGNRAKSRD TFQGGWTKSG DKYVRNDDGS YTYAGRTDDM CC LKVSGIYVSP FEIEATLVQH PGVLEAAVVG VADEHGLTKP KAYVVPRPGQ TLSETELKTF CC IKDRLAPYKY PRSTVFVAEL PKTATGKIQR FKLREGVLG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES AVTPPPEKFNFAEHLLQTNRVRPDKTAFVDDISSLSFAQLEAQTRQLAAA CC ATOM -VTPPPEKFNFAEHLLQTNRVRPDKTAFVDDISSLSFAQLEAQTRQLAAA CC ************************************************* CC SEQRES LRAIGVKREERVLLLMLDGTDWPVAFLGAIYAGIVPVAVNTLLTADDYAY CC ATOM LRAIGVKREERVLLLMLDGTDWPVAFLGAIYAGIVPVAVNTLLTADDYAY CC ************************************************** CC SEQRES MLEHSRAQAVLVSGALHPVLKAALTKSDHEVQRVIVSRPAAPLEPGEVDF CC ATOM MLEHSRAQAVLVSGALHPVLKAALTKSDHEVQRVIVSRPAAPLEPGEVDF CC ************************************************** CC SEQRES AEFVGAHAPLEKPAATQADDPAFWLYSSGSTGRPKGVVHTHANPYWTSEL CC ATOM AEFVGAHAPLEKPAATQADDPAFWLYSSGSTGRPKGVVHTHANPYWTSEL CC ************************************************** CC SEQRES YGRNTLHLREDDVCFSAAKLFFAYGLGNALTFPMTVGATTLLMGERPTPD CC ATOM YGRNTLHLREDDVCFSAAKLFFAYGLGNALTFPMTVGATTLLMGERPTPD CC ************************************************** CC SEQRES AVFKRWLGGVGGVKPTVFYGAPTGYAGMLAAPNLPSRDQVALRLASSAGE CC ATOM AVFKRWLGGVGGVKPTVFYGAPTGYAGMLAAPNLPSRDQVALRLASSAGE CC ************************************************** CC SEQRES ALPAEIGQRFQRHFGLDIVDGIGSTEMLHIFLSNLPDRVRYGTTGWPVPG CC ATOM ALPAEIGQRFQRHFGLDIVDGIGSTEMLHIFLSNLPDRVRYGTTGWPVPG CC ************************************************** CC SEQRES YQIELRGDGGGPVADGEPGDLYIHGPSSATMYWGNRAKSRDTFQGGWTKS CC ATOM YQIELRGDGGGPVADGEPGDLYIHGPSSATMYWGNRAKSRDTFQGGWTKS CC ************************************************** CC SEQRES GDKYVRNDDGSYTYAGRTDDMLKVSGIYVSPFEIEATLVQHPGVLEAAVV CC ATOM GDKYVRNDDGSYTYAGRTDDMLKVSGIYVSPFEIEATLVQHPGVLEAAVV CC ************************************************** CC SEQRES GVADEHGLTKPKAYVVPRPGQTLSETELKTFIKDRLAPYKYPRSTVFVAE CC ATOM GVADEHGLTKPKAYVVPRPGQTLSETELKTFIKDRLAPYKYPRSTVFVAE CC ************************************************** CC SEQRES LPKTATGKIQRFKLREGVLG CC ATOM LPKTATGKIQRFKLREGVLG CC ******************** SQ SEQUENCE 520 AA; MW; CN; AVTPPPEKFN FAEHLLQTNR VRPDKTAFVD DISSLSFAQL EAQTRQLAAA LRAIGVKREE RVLLLMLDGT DWPVAFLGAI YAGIVPVAVN TLLTADDYAY MLEHSRAQAV LVSGALHPVL KAALTKSDHE VQRVIVSRPA APLEPGEVDF AEFVGAHAPL EKPAATQADD PAFWLYSSGS TGRPKGVVHT HANPYWTSEL YGRNTLHLRE DDVCFSAAKL FFAYGLGNAL TFPMTVGATT LLMGERPTPD AVFKRWLGGV GGVKPTVFYG APTGYAGMLA APNLPSRDQV ALRLASSAGE ALPAEIGQRF QRHFGLDIVD GIGSTEMLHI FLSNLPDRVR YGTTGWPVPG YQIELRGDGG GPVADGEPGD LYIHGPSSAT MYWGNRAKSR DTFQGGWTKS GDKYVRNDDG SYTYAGRTDD MLKVSGIYVS PFEIEATLVQ HPGVLEAAVV GVADEHGLTK PKAYVVPRPG QTLSETELKT FIKDRLAPYK YPRSTVFVAE LPKTATGKIQ RFKLREGVLG //