ID 6QGAA STANDARD; PRT; 596 AA. DT CONVERTED FROM PDB (SEQRES) 6QGA DE Mono(2-hydroxyethyl) terephthalate hydrolase OS Ideonella sakaiensis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.173 FT #SUB 70 77 ASP A 545 552 GLU D Protein S 1 FT #SUB 73 80 PRO A 532 539 ASP D Protein A 3 FT #SUB 73 80 PRO A 535 542 THR D Protein B 3 FT #SUB 74 81 ALA A 141 148 GLN D Protein S 1 FT #SUB 74 81 ALA A 148 155 ARG D Protein S 1 FT #SUB 74 81 ALA A 532 539 ASP D Protein A 2 FT #SUB 74 81 ALA A 553 560 TRP D Protein B 2 FT #SUB 75 82 THR A 553 560 TRP D Protein B 6 FT #SUB 76 83 ALA A 553 560 TRP D Protein A 12 FT #SUB 80 87 ALA A 148 155 ARG D Protein S 2 FT #SUB 80 87 ALA A 535 542 THR D Protein S 1 FT #SUB 83 90 GLU A 543 550 ARG D Protein S 6 FT #SUB 113 120 GLU A 117 124 ARG D Protein S 8 FT #SUB 115 122 ASN A 113 120 GLU D Protein S 1 FT #SUB 117 124 ARG A 113 120 GLU D Protein S 8 FT #SUB 141 148 GLN A 74 81 ALA D Protein S 1 FT #SUB 148 155 ARG A 74 81 ALA D Protein S 1 FT #SUB 148 155 ARG A 80 87 ALA D Protein S 1 FT #SUB 532 539 ASP A 73 80 PRO D Protein S 3 FT #SUB 532 539 ASP A 74 81 ALA D Protein S 4 FT #SUB 532 539 ASP A 80 87 ALA D Protein S 1 FT #SUB 535 542 THR A 73 80 PRO D Protein S 4 FT #SUB 535 542 THR A 80 87 ALA D Protein S 1 FT #SUB 543 550 ARG A 83 90 GLU D Protein S 7 FT #SUB 553 560 TRP A 74 81 ALA D Protein S 2 FT #SUB 553 560 TRP A 75 82 THR D Protein S 7 FT #SUB 553 560 TRP A 76 83 ALA D Protein S 11 FT #SUB 55 62 VAL A 202 209 ALA F Protein S 1 FT #SUB 55 62 VAL A 206 213 GLY F Protein S 2 FT #SUB 55 62 VAL A 207 214 ARG F Protein S 3 FT #SUB 55 62 VAL A 208 215 ALA F Protein S 2 FT #SUB 183 190 LEU A 472 479 ASP F Protein S 2 FT #SUB 187 194 TYR A 469 476 ALA F Protein S 2 FT #SUB 202 209 ALA A 55 62 VAL F Protein A 2 FT #SUB 206 213 GLY A 55 62 VAL F Protein B 3 FT #SUB 207 214 ARG A 55 62 VAL F Protein B 2 FT #SUB 208 215 ALA A 55 62 VAL F Protein B 1 FT #SUB 208 215 ALA A 56 63 TRP F Protein S 1 FT #SUB 453 460 THR A 471 478 ARG F Protein A 4 FT #SUB 453 460 THR A 472 479 ASP F Protein S 3 FT #SUB 454 461 GLN A 468 475 ALA F Protein S 5 FT #SUB 454 461 GLN A 469 476 ALA F Protein S 1 FT #SUB 454 461 GLN A 472 479 ASP F Protein S 4 FT #SUB 468 475 ALA A 454 461 GLN F Protein A 5 FT #SUB 469 476 ALA A 187 194 TYR F Protein A 2 FT #SUB 469 476 ALA A 454 461 GLN F Protein B 1 FT #SUB 471 478 ARG A 453 460 THR F Protein S 7 FT #SUB 471 478 ARG A 454 461 GLN F Protein S 1 FT #SUB 472 479 ASP A 183 190 LEU F Protein S 2 FT #SUB 472 479 ASP A 453 460 THR F Protein S 3 FT #SUB 472 479 ASP A 454 461 GLN F Protein S 4 FT #HET 57 64 PRO A 5 705 MPD A A 5 FT #HET 58 65 ASN A 30 704 SO4 F S 1 FT #HET 113 120 GLU A 2 702 SO4 A B 2 FT #HET 114 121 TRP A 2 702 SO4 A B 3 FT #HET 115 122 ASN A 2 702 SO4 A A 3 FT #HET 124 131 SER A 1 701 J1K A A 4 FT #HET 125 132 GLY A 1 701 J1K A B 12 FT #HET 149 156 ASN A 2 702 SO4 A S 3 FT #HET 192 199 GLN A 30 704 SO4 F S 4 FT #HET 198 205 LYS A 28 702 J1K F A 4 FT #HET 199 206 ALA A 28 702 J1K F A 3 FT #HET 202 209 ALA A 28 702 J1K F S 2 FT #HET 208 215 ALA A 28 702 J1K F S 1 FT #HET 218 225 SER A 1 701 J1K A A 11 FT #HET 219 226 GLU A 1 701 J1K A A 4 FT #HET 247 254 LEU A 1 701 J1K A S 5 FT #HET 250 257 ALA A 1 701 J1K A S 1 FT #HET 297 304 ASP A 6 706 CA A A 5 FT #HET 300 307 ASP A 6 706 CA A S 3 FT #HET 302 309 LEU A 6 706 CA A B 2 FT #HET 304 311 ASP A 6 706 CA A S 3 FT #HET 306 313 ILE A 6 706 CA A B 2 FT #HET 390 397 TRP A 1 701 J1K A S 3 FT #HET 404 411 ARG A 1 701 J1K A S 3 FT #HET 408 415 PHE A 1 701 J1K A S 8 FT #HET 409 416 SER A 1 701 J1K A A 6 FT #HET 473 480 ARG A 4 704 SO4 A S 11 FT #HET 488 495 PHE A 1 701 J1K A S 2 FT #HET 512 519 ARG A 3 703 SO4 A S 4 FT #HET 521 528 HIS A 1 701 J1K A S 7 FT #HET 522 529 CYS A 1 701 J1K A S 2 FT #HET 571 578 PRO A 3 703 SO4 A B 1 FT #HET 574 581 GLN A 3 703 SO4 A S 2 FT DISORDER 1 35 FT DISORDER 50 51 FT DISORDER 596 596 CC SEQUENCE 558 AA (ATOM); CC VPLASRAACE ALKDGDMVWP NAATVVEVAA WRDAAPATAS AAALPEHCEV SGAIAKRTGI CC DGYPYEIKFR LRMPAEWNGR FFMEGGSGTN GSLSAATGSI GGGQIASALS RNFATIATDG CC GHDNAVNDNP DALGTVAFGL DPQARLDMGY NSYDQVTQAG KAAVARFYGR AADKSYFIGC CC SEGGREGMML SQRFPSHYDG IVAGAPGYQL PKAGISGAWT TQSLAPAAVG LDAQGVPLIN CC KSFSDADLHL LSQAILGTCD ALDGLADGIV DNYRACQAAF DPATAANPAN GQALQCVGAK CC TADCLSPVQV TAIKRAMAGP VNSAGTPLYN RWAWDAGMSG LSGTTYNQGW RSWWLGSFNS CC SANNAQRVSG FSARSWLVDF ATPPEPMPMT QVAARMMKFD FDIDPLKIWA TSGQFTQSSM CC DWHGATSTDL AAFRDRGGKM ILYHGMSDAA FSALDTADYY ERLGAAMPGA AGFARLFLVP CC GMNHCSGGPG TDRFDMLTPL VAWVERGEAP DQISAWSGTP GYFGVAARTR PLCPYPQIAR CC YKGSGDINTE ANFACAAP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MNHKVHHHHHHMGGGSTPLPLPQQQPPQQEPPPPPVPLASRAACEALKDG CC ATOM -----------------------------------VPLASRAACEALKD- CC ************** CC SEQRES NGDMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVSGAIAKRTGIDGY CC ATOM -GDMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVSGAIAKRTGIDGY CC ************************************************* CC SEQRES PYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIGGGQIASALSRNF CC ATOM PYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIGGGQIASALSRNF CC ************************************************** CC SEQRES ATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDMGYNSYDQVTQAGKAA CC ATOM ATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDMGYNSYDQVTQAGKAA CC ************************************************** CC SEQRES VARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGIVAGAPGYQLPKA CC ATOM VARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGIVAGAPGYQLPKA CC ************************************************** CC SEQRES GISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLLSQAILGTCDALD CC ATOM GISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLLSQAILGTCDALD CC ************************************************** CC SEQRES GLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKTADCLSPVQVTAI CC ATOM GLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKTADCLSPVQVTAI CC ************************************************** CC SEQRES KRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWRSWWLGSFNSSAN CC ATOM KRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWRSWWLGSFNSSAN CC ************************************************** CC SEQRES NAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDFDIDPLKIWATSG CC ATOM NAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDFDIDPLKIWATSG CC ************************************************** CC SEQRES QFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAFSALDTADYYERL CC ATOM QFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAFSALDTADYYERL CC ************************************************** CC SEQRES GAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLVAWVERGEAPDQI CC ATOM GAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLVAWVERGEAPDQI CC ************************************************** CC SEQRES SAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEANFACAAPP CC ATOM SAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEANFACAAP- CC ********************************************* SQ SEQUENCE 596 AA; MW; CN; MNHKVHHHHH HMGGGSTPLP LPQQQPPQQE PPPPPVPLAS RAACEALKDG NGDMVWPNAA TVVEVAAWRD AAPATASAAA LPEHCEVSGA IAKRTGIDGY PYEIKFRLRM PAEWNGRFFM EGGSGTNGSL SAATGSIGGG QIASALSRNF ATIATDGGHD NAVNDNPDAL GTVAFGLDPQ ARLDMGYNSY DQVTQAGKAA VARFYGRAAD KSYFIGCSEG GREGMMLSQR FPSHYDGIVA GAPGYQLPKA GISGAWTTQS LAPAAVGLDA QGVPLINKSF SDADLHLLSQ AILGTCDALD GLADGIVDNY RACQAAFDPA TAANPANGQA LQCVGAKTAD CLSPVQVTAI KRAMAGPVNS AGTPLYNRWA WDAGMSGLSG TTYNQGWRSW WLGSFNSSAN NAQRVSGFSA RSWLVDFATP PEPMPMTQVA ARMMKFDFDI DPLKIWATSG QFTQSSMDWH GATSTDLAAF RDRGGKMILY HGMSDAAFSA LDTADYYERL GAAMPGAAGF ARLFLVPGMN HCSGGPGTDR FDMLTPLVAW VERGEAPDQI SAWSGTPGYF GVAARTRPLC PYPQIARYKG SGDINTEANF ACAAPP // ID 6QGAB STANDARD; PRT; 596 AA. DT CONVERTED FROM PDB (SEQRES) 6QGA DE Mono(2-hydroxyethyl) terephthalate hydrolase OS Ideonella sakaiensis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.173 FT #SUB 55 62 VAL B 202 209 ALA C Protein S 2 FT #SUB 55 62 VAL B 206 213 GLY C Protein S 2 FT #SUB 55 62 VAL B 207 214 ARG C Protein S 2 FT #SUB 55 62 VAL B 208 215 ALA C Protein S 1 FT #SUB 183 190 LEU B 472 479 ASP C Protein S 1 FT #SUB 187 194 TYR B 469 476 ALA C Protein S 2 FT #SUB 202 209 ALA B 55 62 VAL C Protein A 2 FT #SUB 206 213 GLY B 55 62 VAL C Protein B 3 FT #SUB 207 214 ARG B 55 62 VAL C Protein B 3 FT #SUB 208 215 ALA B 55 62 VAL C Protein B 1 FT #SUB 208 215 ALA B 56 63 TRP C Protein S 1 FT #SUB 208 215 ALA B 57 64 PRO C Protein S 1 FT #SUB 453 460 THR B 471 478 ARG C Protein A 6 FT #SUB 453 460 THR B 472 479 ASP C Protein S 3 FT #SUB 454 461 GLN B 468 475 ALA C Protein S 5 FT #SUB 454 461 GLN B 469 476 ALA C Protein S 1 FT #SUB 454 461 GLN B 471 478 ARG C Protein S 1 FT #SUB 454 461 GLN B 472 479 ASP C Protein S 4 FT #SUB 468 475 ALA B 454 461 GLN C Protein A 5 FT #SUB 469 476 ALA B 187 194 TYR C Protein A 2 FT #SUB 469 476 ALA B 454 461 GLN C Protein B 1 FT #SUB 471 478 ARG B 453 460 THR C Protein S 5 FT #SUB 471 478 ARG B 454 461 GLN C Protein S 1 FT #SUB 472 479 ASP B 183 190 LEU C Protein S 1 FT #SUB 472 479 ASP B 453 460 THR C Protein S 4 FT #SUB 472 479 ASP B 454 461 GLN C Protein S 4 FT #SUB 70 77 ASP B 545 552 GLU E Protein S 3 FT #SUB 73 80 PRO B 532 539 ASP E Protein A 3 FT #SUB 73 80 PRO B 535 542 THR E Protein A 5 FT #SUB 74 81 ALA B 141 148 GLN E Protein S 1 FT #SUB 74 81 ALA B 148 155 ARG E Protein S 1 FT #SUB 74 81 ALA B 532 539 ASP E Protein A 4 FT #SUB 74 81 ALA B 553 560 TRP E Protein B 2 FT #SUB 75 82 THR B 553 560 TRP E Protein B 6 FT #SUB 76 83 ALA B 553 560 TRP E Protein A 9 FT #SUB 80 87 ALA B 148 155 ARG E Protein S 2 FT #SUB 80 87 ALA B 532 539 ASP E Protein S 1 FT #SUB 80 87 ALA B 535 542 THR E Protein S 1 FT #SUB 83 90 GLU B 543 550 ARG E Protein S 10 FT #SUB 113 120 GLU B 117 124 ARG E Protein S 8 FT #SUB 117 124 ARG B 113 120 GLU E Protein S 7 FT #SUB 141 148 GLN B 74 81 ALA E Protein S 1 FT #SUB 148 155 ARG B 74 81 ALA E Protein S 1 FT #SUB 148 155 ARG B 80 87 ALA E Protein S 2 FT #SUB 149 156 ASN B 149 156 ASN E Protein S 1 FT #SUB 532 539 ASP B 73 80 PRO E Protein S 3 FT #SUB 532 539 ASP B 74 81 ALA E Protein S 3 FT #SUB 535 542 THR B 73 80 PRO E Protein S 1 FT #SUB 543 550 ARG B 83 90 GLU E Protein S 8 FT #SUB 553 560 TRP B 74 81 ALA E Protein S 2 FT #SUB 553 560 TRP B 75 82 THR E Protein S 6 FT #SUB 553 560 TRP B 76 83 ALA E Protein S 10 FT #HET 58 65 ASN B 8 702 SO4 B S 2 FT #HET 74 81 ALA B 21 701 J1K E S 1 FT #HET 79 86 ALA B 21 701 J1K E A 11 FT #HET 80 87 ALA B 21 701 J1K E A 5 FT #HET 113 120 GLU B 10 704 SO4 B S 1 FT #HET 114 121 TRP B 10 704 SO4 B B 2 FT #HET 115 122 ASN B 10 704 SO4 B A 3 FT #HET 124 131 SER B 7 701 J1K B A 5 FT #HET 125 132 GLY B 7 701 J1K B B 12 FT #HET 142 149 ILE B 21 701 J1K E S 3 FT #HET 143 150 ALA B 21 701 J1K E S 1 FT #HET 149 156 ASN B 10 704 SO4 B S 2 FT #HET 192 199 GLN B 8 702 SO4 B S 5 FT #HET 198 205 LYS B 14 701 J1K C S 1 FT #HET 199 206 ALA B 14 701 J1K C A 4 FT #HET 202 209 ALA B 14 701 J1K C S 2 FT #HET 208 215 ALA B 14 701 J1K C S 1 FT #HET 218 225 SER B 7 701 J1K B A 12 FT #HET 219 226 GLU B 7 701 J1K B A 4 FT #HET 247 254 LEU B 7 701 J1K B S 4 FT #HET 250 257 ALA B 7 701 J1K B S 1 FT #HET 251 258 GLY B 13 707 CL B B 2 FT #HET 254 261 GLY B 13 707 CL B B 2 FT #HET 256 263 TRP B 11 705 MPD B S 4 FT #HET 259 266 GLN B 11 705 MPD B A 5 FT #HET 260 267 SER B 11 705 MPD B A 2 FT #HET 263 270 PRO B 11 705 MPD B S 1 FT #HET 297 304 ASP B 12 706 CA B A 4 FT #HET 300 307 ASP B 12 706 CA B S 3 FT #HET 302 309 LEU B 12 706 CA B B 2 FT #HET 304 311 ASP B 12 706 CA B S 3 FT #HET 306 313 ILE B 12 706 CA B B 2 FT #HET 352 359 ARG B 11 705 MPD B S 3 FT #HET 390 397 TRP B 7 701 J1K B S 3 FT #HET 404 411 ARG B 7 701 J1K B S 4 FT #HET 404 411 ARG B 13 707 CL B A 5 FT #HET 408 415 PHE B 7 701 J1K B S 8 FT #HET 409 416 SER B 7 701 J1K B A 7 FT #HET 410 417 ALA B 13 707 CL B A 3 FT #HET 433 440 MET B 13 707 CL B S 2 FT #HET 438 445 PHE B 11 705 MPD B S 1 FT #HET 473 480 ARG B 9 703 SO4 B S 5 FT #HET 488 495 PHE B 7 701 J1K B S 4 FT #HET 521 528 HIS B 7 701 J1K B S 7 FT DISORDER 1 35 FT DISORDER 50 52 CC SEQUENCE 558 AA (ATOM); CC VPLASRAACE ALKDDMVWPN AATVVEVAAW RDAAPATASA AALPEHCEVS GAIAKRTGID CC GYPYEIKFRL RMPAEWNGRF FMEGGSGTNG SLSAATGSIG GGQIASALSR NFATIATDGG CC HDNAVNDNPD ALGTVAFGLD PQARLDMGYN SYDQVTQAGK AAVARFYGRA ADKSYFIGCS CC EGGREGMMLS QRFPSHYDGI VAGAPGYQLP KAGISGAWTT QSLAPAAVGL DAQGVPLINK CC SFSDADLHLL SQAILGTCDA LDGLADGIVD NYRACQAAFD PATAANPANG QALQCVGAKT CC ADCLSPVQVT AIKRAMAGPV NSAGTPLYNR WAWDAGMSGL SGTTYNQGWR SWWLGSFNSS CC ANNAQRVSGF SARSWLVDFA TPPEPMPMTQ VAARMMKFDF DIDPLKIWAT SGQFTQSSMD CC WHGATSTDLA AFRDRGGKMI LYHGMSDAAF SALDTADYYE RLGAAMPGAA GFARLFLVPG CC MNHCSGGPGT DRFDMLTPLV AWVERGEAPD QISAWSGTPG YFGVAARTRP LCPYPQIARY CC KGSGDINTEA NFACAAPP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MNHKVHHHHHHMGGGSTPLPLPQQQPPQQEPPPPPVPLASRAACEALKDG CC ATOM -----------------------------------VPLASRAACEALKD- CC ************** CC SEQRES NGDMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVSGAIAKRTGIDGY CC ATOM --DMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVSGAIAKRTGIDGY CC ************************************************ CC SEQRES PYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIGGGQIASALSRNF CC ATOM PYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIGGGQIASALSRNF CC ************************************************** CC SEQRES ATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDMGYNSYDQVTQAGKAA CC ATOM ATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDMGYNSYDQVTQAGKAA CC ************************************************** CC SEQRES VARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGIVAGAPGYQLPKA CC ATOM VARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGIVAGAPGYQLPKA CC ************************************************** CC SEQRES GISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLLSQAILGTCDALD CC ATOM GISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLLSQAILGTCDALD CC ************************************************** CC SEQRES GLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKTADCLSPVQVTAI CC ATOM GLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKTADCLSPVQVTAI CC ************************************************** CC SEQRES KRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWRSWWLGSFNSSAN CC ATOM KRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWRSWWLGSFNSSAN CC ************************************************** CC SEQRES NAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDFDIDPLKIWATSG CC ATOM NAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDFDIDPLKIWATSG CC ************************************************** CC SEQRES QFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAFSALDTADYYERL CC ATOM QFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAFSALDTADYYERL CC ************************************************** CC SEQRES GAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLVAWVERGEAPDQI CC ATOM GAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLVAWVERGEAPDQI CC ************************************************** CC SEQRES SAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEANFACAAPP CC ATOM SAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEANFACAAPP CC ********************************************** SQ SEQUENCE 596 AA; MW; CN; MNHKVHHHHH HMGGGSTPLP LPQQQPPQQE PPPPPVPLAS RAACEALKDG NGDMVWPNAA TVVEVAAWRD AAPATASAAA LPEHCEVSGA IAKRTGIDGY PYEIKFRLRM PAEWNGRFFM EGGSGTNGSL SAATGSIGGG QIASALSRNF ATIATDGGHD NAVNDNPDAL GTVAFGLDPQ ARLDMGYNSY DQVTQAGKAA VARFYGRAAD KSYFIGCSEG GREGMMLSQR FPSHYDGIVA GAPGYQLPKA GISGAWTTQS LAPAAVGLDA QGVPLINKSF SDADLHLLSQ AILGTCDALD GLADGIVDNY RACQAAFDPA TAANPANGQA LQCVGAKTAD CLSPVQVTAI KRAMAGPVNS AGTPLYNRWA WDAGMSGLSG TTYNQGWRSW WLGSFNSSAN NAQRVSGFSA RSWLVDFATP PEPMPMTQVA ARMMKFDFDI DPLKIWATSG QFTQSSMDWH GATSTDLAAF RDRGGKMILY HGMSDAAFSA LDTADYYERL GAAMPGAAGF ARLFLVPGMN HCSGGPGTDR FDMLTPLVAW VERGEAPDQI SAWSGTPGYF GVAARTRPLC PYPQIARYKG SGDINTEANF ACAAPP // ID 6QGAC STANDARD; PRT; 596 AA. DT CONVERTED FROM PDB (SEQRES) 6QGA DE Mono(2-hydroxyethyl) terephthalate hydrolase OS Ideonella sakaiensis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.173 FT #SUB 55 62 VAL C 202 209 ALA B Protein S 2 FT #SUB 55 62 VAL C 206 213 GLY B Protein S 3 FT #SUB 55 62 VAL C 207 214 ARG B Protein S 3 FT #SUB 55 62 VAL C 208 215 ALA B Protein S 1 FT #SUB 56 63 TRP C 208 215 ALA B Protein B 1 FT #SUB 57 64 PRO C 208 215 ALA B Protein B 1 FT #SUB 183 190 LEU C 472 479 ASP B Protein S 1 FT #SUB 187 194 TYR C 469 476 ALA B Protein S 2 FT #SUB 202 209 ALA C 55 62 VAL B Protein A 2 FT #SUB 206 213 GLY C 55 62 VAL B Protein B 2 FT #SUB 207 214 ARG C 55 62 VAL B Protein B 2 FT #SUB 208 215 ALA C 55 62 VAL B Protein B 1 FT #SUB 453 460 THR C 471 478 ARG B Protein A 5 FT #SUB 453 460 THR C 472 479 ASP B Protein S 4 FT #SUB 454 461 GLN C 468 475 ALA B Protein S 5 FT #SUB 454 461 GLN C 469 476 ALA B Protein S 1 FT #SUB 454 461 GLN C 471 478 ARG B Protein S 1 FT #SUB 454 461 GLN C 472 479 ASP B Protein S 4 FT #SUB 468 475 ALA C 454 461 GLN B Protein A 5 FT #SUB 469 476 ALA C 187 194 TYR B Protein A 2 FT #SUB 469 476 ALA C 454 461 GLN B Protein B 1 FT #SUB 471 478 ARG C 453 460 THR B Protein S 6 FT #SUB 471 478 ARG C 454 461 GLN B Protein S 1 FT #SUB 472 479 ASP C 183 190 LEU B Protein S 1 FT #SUB 472 479 ASP C 453 460 THR B Protein S 3 FT #SUB 472 479 ASP C 454 461 GLN B Protein S 4 FT #HET 54 61 MET C 14 701 J1K C S 2 FT #HET 55 62 VAL C 14 701 J1K C A 10 FT #HET 56 63 TRP C 18 705 CL C A 2 FT #HET 57 64 PRO C 14 701 J1K C B 3 FT #HET 57 64 PRO C 18 705 CL C A 4 FT #HET 58 65 ASN C 9 703 SO4 B S 1 FT #HET 58 65 ASN C 18 705 CL C A 4 FT #HET 61 68 THR C 18 705 CL C S 2 FT #HET 124 131 SER C 15 702 J1K C A 5 FT #HET 125 132 GLY C 15 702 J1K C B 12 FT #HET 192 199 GLN C 9 703 SO4 B S 5 FT #HET 196 203 ALA C 18 705 CL C S 1 FT #HET 199 206 ALA C 14 701 J1K C A 2 FT #HET 203 210 ARG C 14 701 J1K C A 4 FT #HET 218 225 SER C 15 702 J1K C A 9 FT #HET 219 226 GLU C 15 702 J1K C A 5 FT #HET 247 254 LEU C 15 702 J1K C S 4 FT #HET 250 257 ALA C 15 702 J1K C S 1 FT #HET 251 258 GLY C 17 704 CL C B 3 FT #HET 254 261 GLY C 17 704 CL C B 2 FT #HET 297 304 ASP C 16 703 CA C A 4 FT #HET 300 307 ASP C 16 703 CA C S 3 FT #HET 302 309 LEU C 16 703 CA C B 2 FT #HET 304 311 ASP C 16 703 CA C A 3 FT #HET 306 313 ILE C 16 703 CA C B 2 FT #HET 390 397 TRP C 15 702 J1K C S 3 FT #HET 404 411 ARG C 15 702 J1K C S 4 FT #HET 404 411 ARG C 17 704 CL C A 5 FT #HET 408 415 PHE C 15 702 J1K C S 8 FT #HET 409 416 SER C 15 702 J1K C A 7 FT #HET 410 417 ALA C 17 704 CL C A 3 FT #HET 433 440 MET C 17 704 CL C S 1 FT #HET 473 480 ARG C 8 702 SO4 B S 7 FT #HET 488 495 PHE C 15 702 J1K C S 3 FT #HET 521 528 HIS C 15 702 J1K C S 7 FT DISORDER 1 35 FT DISORDER 49 52 CC SEQUENCE 557 AA (ATOM); CC VPLASRAACE ALKDMVWPNA ATVVEVAAWR DAAPATASAA ALPEHCEVSG AIAKRTGIDG CC YPYEIKFRLR MPAEWNGRFF MEGGSGTNGS LSAATGSIGG GQIASALSRN FATIATDGGH CC DNAVNDNPDA LGTVAFGLDP QARLDMGYNS YDQVTQAGKA AVARFYGRAA DKSYFIGCSE CC GGREGMMLSQ RFPSHYDGIV AGAPGYQLPK AGISGAWTTQ SLAPAAVGLD AQGVPLINKS CC FSDADLHLLS QAILGTCDAL DGLADGIVDN YRACQAAFDP ATAANPANGQ ALQCVGAKTA CC DCLSPVQVTA IKRAMAGPVN SAGTPLYNRW AWDAGMSGLS GTTYNQGWRS WWLGSFNSSA CC NNAQRVSGFS ARSWLVDFAT PPEPMPMTQV AARMMKFDFD IDPLKIWATS GQFTQSSMDW CC HGATSTDLAA FRDRGGKMIL YHGMSDAAFS ALDTADYYER LGAAMPGAAG FARLFLVPGM CC NHCSGGPGTD RFDMLTPLVA WVERGEAPDQ ISAWSGTPGY FGVAARTRPL CPYPQIARYK CC GSGDINTEAN FACAAPP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MNHKVHHHHHHMGGGSTPLPLPQQQPPQQEPPPPPVPLASRAACEALKDG CC ATOM -----------------------------------VPLASRAACEALK-- CC ************* CC SEQRES NGDMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVSGAIAKRTGIDGY CC ATOM --DMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVSGAIAKRTGIDGY CC ************************************************ CC SEQRES PYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIGGGQIASALSRNF CC ATOM PYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIGGGQIASALSRNF CC ************************************************** CC SEQRES ATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDMGYNSYDQVTQAGKAA CC ATOM ATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDMGYNSYDQVTQAGKAA CC ************************************************** CC SEQRES VARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGIVAGAPGYQLPKA CC ATOM VARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGIVAGAPGYQLPKA CC ************************************************** CC SEQRES GISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLLSQAILGTCDALD CC ATOM GISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLLSQAILGTCDALD CC ************************************************** CC SEQRES GLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKTADCLSPVQVTAI CC ATOM GLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKTADCLSPVQVTAI CC ************************************************** CC SEQRES KRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWRSWWLGSFNSSAN CC ATOM KRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWRSWWLGSFNSSAN CC ************************************************** CC SEQRES NAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDFDIDPLKIWATSG CC ATOM NAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDFDIDPLKIWATSG CC ************************************************** CC SEQRES QFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAFSALDTADYYERL CC ATOM QFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAFSALDTADYYERL CC ************************************************** CC SEQRES GAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLVAWVERGEAPDQI CC ATOM GAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLVAWVERGEAPDQI CC ************************************************** CC SEQRES SAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEANFACAAPP CC ATOM SAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEANFACAAPP CC ********************************************** SQ SEQUENCE 596 AA; MW; CN; MNHKVHHHHH HMGGGSTPLP LPQQQPPQQE PPPPPVPLAS RAACEALKDG NGDMVWPNAA TVVEVAAWRD AAPATASAAA LPEHCEVSGA IAKRTGIDGY PYEIKFRLRM PAEWNGRFFM EGGSGTNGSL SAATGSIGGG QIASALSRNF ATIATDGGHD NAVNDNPDAL GTVAFGLDPQ ARLDMGYNSY DQVTQAGKAA VARFYGRAAD KSYFIGCSEG GREGMMLSQR FPSHYDGIVA GAPGYQLPKA GISGAWTTQS LAPAAVGLDA QGVPLINKSF SDADLHLLSQ AILGTCDALD GLADGIVDNY RACQAAFDPA TAANPANGQA LQCVGAKTAD CLSPVQVTAI KRAMAGPVNS AGTPLYNRWA WDAGMSGLSG TTYNQGWRSW WLGSFNSSAN NAQRVSGFSA RSWLVDFATP PEPMPMTQVA ARMMKFDFDI DPLKIWATSG QFTQSSMDWH GATSTDLAAF RDRGGKMILY HGMSDAAFSA LDTADYYERL GAAMPGAAGF ARLFLVPGMN HCSGGPGTDR FDMLTPLVAW VERGEAPDQI SAWSGTPGYF GVAARTRPLC PYPQIARYKG SGDINTEANF ACAAPP // ID 6QGAD STANDARD; PRT; 596 AA. DT CONVERTED FROM PDB (SEQRES) 6QGA DE Mono(2-hydroxyethyl) terephthalate hydrolase OS Ideonella sakaiensis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.173 FT #SUB 73 80 PRO D 532 539 ASP A Protein A 3 FT #SUB 73 80 PRO D 535 542 THR A Protein B 4 FT #SUB 74 81 ALA D 141 148 GLN A Protein S 1 FT #SUB 74 81 ALA D 148 155 ARG A Protein S 1 FT #SUB 74 81 ALA D 532 539 ASP A Protein A 4 FT #SUB 74 81 ALA D 553 560 TRP A Protein B 2 FT #SUB 75 82 THR D 553 560 TRP A Protein B 7 FT #SUB 76 83 ALA D 553 560 TRP A Protein A 11 FT #SUB 80 87 ALA D 148 155 ARG A Protein S 1 FT #SUB 80 87 ALA D 532 539 ASP A Protein S 1 FT #SUB 80 87 ALA D 535 542 THR A Protein S 1 FT #SUB 83 90 GLU D 543 550 ARG A Protein S 7 FT #SUB 113 120 GLU D 115 122 ASN A Protein S 1 FT #SUB 113 120 GLU D 117 124 ARG A Protein S 8 FT #SUB 117 124 ARG D 113 120 GLU A Protein S 8 FT #SUB 141 148 GLN D 74 81 ALA A Protein S 1 FT #SUB 148 155 ARG D 74 81 ALA A Protein S 1 FT #SUB 148 155 ARG D 80 87 ALA A Protein S 2 FT #SUB 532 539 ASP D 73 80 PRO A Protein S 3 FT #SUB 532 539 ASP D 74 81 ALA A Protein S 2 FT #SUB 535 542 THR D 73 80 PRO A Protein S 3 FT #SUB 535 542 THR D 80 87 ALA A Protein S 1 FT #SUB 543 550 ARG D 83 90 GLU A Protein S 6 FT #SUB 545 552 GLU D 70 77 ASP A Protein S 1 FT #SUB 553 560 TRP D 74 81 ALA A Protein S 2 FT #SUB 553 560 TRP D 75 82 THR A Protein S 6 FT #SUB 553 560 TRP D 76 83 ALA A Protein S 12 FT #HET 113 120 GLU D 2 702 SO4 A S 1 FT #HET 114 121 TRP D 2 702 SO4 A B 2 FT #HET 115 122 ASN D 2 702 SO4 A A 3 FT #HET 124 131 SER D 19 701 J1K D A 7 FT #HET 125 132 GLY D 19 701 J1K D B 11 FT #HET 149 156 ASN D 2 702 SO4 A S 1 FT #HET 217 224 CYS D 19 701 J1K D B 1 FT #HET 218 225 SER D 19 701 J1K D S 9 FT #HET 219 226 GLU D 19 701 J1K D A 4 FT #HET 247 254 LEU D 19 701 J1K D S 4 FT #HET 250 257 ALA D 19 701 J1K D S 1 FT #HET 297 304 ASP D 20 702 CA D A 4 FT #HET 300 307 ASP D 20 702 CA D S 3 FT #HET 302 309 LEU D 20 702 CA D B 2 FT #HET 304 311 ASP D 20 702 CA D S 3 FT #HET 306 313 ILE D 20 702 CA D B 2 FT #HET 390 397 TRP D 19 701 J1K D S 3 FT #HET 404 411 ARG D 19 701 J1K D S 3 FT #HET 408 415 PHE D 19 701 J1K D S 7 FT #HET 409 416 SER D 19 701 J1K D A 7 FT #HET 488 495 PHE D 19 701 J1K D S 3 FT #HET 521 528 HIS D 19 701 J1K D S 8 FT DISORDER 1 35 FT DISORDER 50 51 CC SEQUENCE 559 AA (ATOM); CC VPLASRAACE ALKDGDMVWP NAATVVEVAA WRDAAPATAS AAALPEHCEV SGAIAKRTGI CC DGYPYEIKFR LRMPAEWNGR FFMEGGSGTN GSLSAATGSI GGGQIASALS RNFATIATDG CC GHDNAVNDNP DALGTVAFGL DPQARLDMGY NSYDQVTQAG KAAVARFYGR AADKSYFIGC CC SEGGREGMML SQRFPSHYDG IVAGAPGYQL PKAGISGAWT TQSLAPAAVG LDAQGVPLIN CC KSFSDADLHL LSQAILGTCD ALDGLADGIV DNYRACQAAF DPATAANPAN GQALQCVGAK CC TADCLSPVQV TAIKRAMAGP VNSAGTPLYN RWAWDAGMSG LSGTTYNQGW RSWWLGSFNS CC SANNAQRVSG FSARSWLVDF ATPPEPMPMT QVAARMMKFD FDIDPLKIWA TSGQFTQSSM CC DWHGATSTDL AAFRDRGGKM ILYHGMSDAA FSALDTADYY ERLGAAMPGA AGFARLFLVP CC GMNHCSGGPG TDRFDMLTPL VAWVERGEAP DQISAWSGTP GYFGVAARTR PLCPYPQIAR CC YKGSGDINTE ANFACAAPP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MNHKVHHHHHHMGGGSTPLPLPQQQPPQQEPPPPPVPLASRAACEALKDG CC ATOM -----------------------------------VPLASRAACEALKD- CC ************** CC SEQRES NGDMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVSGAIAKRTGIDGY CC ATOM -GDMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVSGAIAKRTGIDGY CC ************************************************* CC SEQRES PYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIGGGQIASALSRNF CC ATOM PYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIGGGQIASALSRNF CC ************************************************** CC SEQRES ATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDMGYNSYDQVTQAGKAA CC ATOM ATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDMGYNSYDQVTQAGKAA CC ************************************************** CC SEQRES VARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGIVAGAPGYQLPKA CC ATOM VARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGIVAGAPGYQLPKA CC ************************************************** CC SEQRES GISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLLSQAILGTCDALD CC ATOM GISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLLSQAILGTCDALD CC ************************************************** CC SEQRES GLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKTADCLSPVQVTAI CC ATOM GLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKTADCLSPVQVTAI CC ************************************************** CC SEQRES KRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWRSWWLGSFNSSAN CC ATOM KRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWRSWWLGSFNSSAN CC ************************************************** CC SEQRES NAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDFDIDPLKIWATSG CC ATOM NAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDFDIDPLKIWATSG CC ************************************************** CC SEQRES QFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAFSALDTADYYERL CC ATOM QFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAFSALDTADYYERL CC ************************************************** CC SEQRES GAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLVAWVERGEAPDQI CC ATOM GAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLVAWVERGEAPDQI CC ************************************************** CC SEQRES SAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEANFACAAPP CC ATOM SAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEANFACAAPP CC ********************************************** SQ SEQUENCE 596 AA; MW; CN; MNHKVHHHHH HMGGGSTPLP LPQQQPPQQE PPPPPVPLAS RAACEALKDG NGDMVWPNAA TVVEVAAWRD AAPATASAAA LPEHCEVSGA IAKRTGIDGY PYEIKFRLRM PAEWNGRFFM EGGSGTNGSL SAATGSIGGG QIASALSRNF ATIATDGGHD NAVNDNPDAL GTVAFGLDPQ ARLDMGYNSY DQVTQAGKAA VARFYGRAAD KSYFIGCSEG GREGMMLSQR FPSHYDGIVA GAPGYQLPKA GISGAWTTQS LAPAAVGLDA QGVPLINKSF SDADLHLLSQ AILGTCDALD GLADGIVDNY RACQAAFDPA TAANPANGQA LQCVGAKTAD CLSPVQVTAI KRAMAGPVNS AGTPLYNRWA WDAGMSGLSG TTYNQGWRSW WLGSFNSSAN NAQRVSGFSA RSWLVDFATP PEPMPMTQVA ARMMKFDFDI DPLKIWATSG QFTQSSMDWH GATSTDLAAF RDRGGKMILY HGMSDAAFSA LDTADYYERL GAAMPGAAGF ARLFLVPGMN HCSGGPGTDR FDMLTPLVAW VERGEAPDQI SAWSGTPGYF GVAARTRPLC PYPQIARYKG SGDINTEANF ACAAPP // ID 6QGAE STANDARD; PRT; 596 AA. DT CONVERTED FROM PDB (SEQRES) 6QGA DE Mono(2-hydroxyethyl) terephthalate hydrolase OS Ideonella sakaiensis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.173 FT #SUB 73 80 PRO E 532 539 ASP B Protein A 3 FT #SUB 73 80 PRO E 535 542 THR B Protein S 1 FT #SUB 74 81 ALA E 141 148 GLN B Protein S 1 FT #SUB 74 81 ALA E 148 155 ARG B Protein S 1 FT #SUB 74 81 ALA E 532 539 ASP B Protein A 3 FT #SUB 74 81 ALA E 553 560 TRP B Protein B 2 FT #SUB 75 82 THR E 553 560 TRP B Protein B 6 FT #SUB 76 83 ALA E 553 560 TRP B Protein A 10 FT #SUB 80 87 ALA E 148 155 ARG B Protein S 2 FT #SUB 83 90 GLU E 543 550 ARG B Protein S 8 FT #SUB 113 120 GLU E 117 124 ARG B Protein S 7 FT #SUB 117 124 ARG E 113 120 GLU B Protein S 8 FT #SUB 141 148 GLN E 74 81 ALA B Protein S 1 FT #SUB 148 155 ARG E 74 81 ALA B Protein S 1 FT #SUB 148 155 ARG E 80 87 ALA B Protein S 2 FT #SUB 149 156 ASN E 149 156 ASN B Protein S 1 FT #SUB 532 539 ASP E 73 80 PRO B Protein S 3 FT #SUB 532 539 ASP E 74 81 ALA B Protein S 4 FT #SUB 532 539 ASP E 80 87 ALA B Protein S 1 FT #SUB 535 542 THR E 73 80 PRO B Protein S 5 FT #SUB 535 542 THR E 80 87 ALA B Protein S 1 FT #SUB 543 550 ARG E 83 90 GLU B Protein S 10 FT #SUB 545 552 GLU E 70 77 ASP B Protein S 3 FT #SUB 553 560 TRP E 74 81 ALA B Protein S 2 FT #SUB 553 560 TRP E 75 82 THR B Protein S 6 FT #SUB 553 560 TRP E 76 83 ALA B Protein S 9 FT #HET 58 65 ASN E 24 704 SO4 E S 1 FT #HET 74 81 ALA E 21 701 J1K E S 1 FT #HET 75 82 THR E 21 701 J1K E B 2 FT #HET 76 83 ALA E 21 701 J1K E B 3 FT #HET 78 85 ALA E 21 701 J1K E B 2 FT #HET 79 86 ALA E 21 701 J1K E A 7 FT #HET 113 120 GLU E 10 704 SO4 B B 2 FT #HET 114 121 TRP E 10 704 SO4 B B 2 FT #HET 115 122 ASN E 10 704 SO4 B B 1 FT #HET 124 131 SER E 23 703 J1K E A 5 FT #HET 125 132 GLY E 23 703 J1K E B 12 FT #HET 142 149 ILE E 21 701 J1K E S 3 FT #HET 143 150 ALA E 21 701 J1K E S 6 FT #HET 148 155 ARG E 21 701 J1K E S 10 FT #HET 149 156 ASN E 10 704 SO4 B S 3 FT #HET 192 199 GLN E 24 704 SO4 E S 5 FT #HET 198 205 LYS E 22 702 J1K E S 1 FT #HET 199 206 ALA E 22 702 J1K E B 1 FT #HET 202 209 ALA E 22 702 J1K E S 2 FT #HET 203 210 ARG E 22 702 J1K E S 1 FT #HET 208 215 ALA E 22 702 J1K E S 1 FT #HET 218 225 SER E 23 703 J1K E A 11 FT #HET 219 226 GLU E 23 703 J1K E A 4 FT #HET 247 254 LEU E 23 703 J1K E S 4 FT #HET 250 257 ALA E 23 703 J1K E S 1 FT #HET 251 258 GLY E 26 706 CL E B 2 FT #HET 254 261 GLY E 26 706 CL E B 2 FT #HET 255 262 ALA E 26 706 CL E B 1 FT #HET 297 304 ASP E 25 705 CA E A 4 FT #HET 300 307 ASP E 25 705 CA E S 3 FT #HET 302 309 LEU E 25 705 CA E B 2 FT #HET 304 311 ASP E 25 705 CA E S 3 FT #HET 306 313 ILE E 25 705 CA E B 2 FT #HET 390 397 TRP E 23 703 J1K E S 3 FT #HET 404 411 ARG E 23 703 J1K E S 3 FT #HET 404 411 ARG E 26 706 CL E A 5 FT #HET 408 415 PHE E 23 703 J1K E S 8 FT #HET 409 416 SER E 23 703 J1K E A 7 FT #HET 410 417 ALA E 26 706 CL E A 2 FT #HET 433 440 MET E 26 706 CL E S 2 FT #HET 488 495 PHE E 23 703 J1K E S 2 FT #HET 521 528 HIS E 23 703 J1K E S 7 FT #HET 522 529 CYS E 23 703 J1K E S 1 FT DISORDER 1 35 FT DISORDER 50 52 CC SEQUENCE 558 AA (ATOM); CC VPLASRAACE ALKDDMVWPN AATVVEVAAW RDAAPATASA AALPEHCEVS GAIAKRTGID CC GYPYEIKFRL RMPAEWNGRF FMEGGSGTNG SLSAATGSIG GGQIASALSR NFATIATDGG CC HDNAVNDNPD ALGTVAFGLD PQARLDMGYN SYDQVTQAGK AAVARFYGRA ADKSYFIGCS CC EGGREGMMLS QRFPSHYDGI VAGAPGYQLP KAGISGAWTT QSLAPAAVGL DAQGVPLINK CC SFSDADLHLL SQAILGTCDA LDGLADGIVD NYRACQAAFD PATAANPANG QALQCVGAKT CC ADCLSPVQVT AIKRAMAGPV NSAGTPLYNR WAWDAGMSGL SGTTYNQGWR SWWLGSFNSS CC ANNAQRVSGF SARSWLVDFA TPPEPMPMTQ VAARMMKFDF DIDPLKIWAT SGQFTQSSMD CC WHGATSTDLA AFRDRGGKMI LYHGMSDAAF SALDTADYYE RLGAAMPGAA GFARLFLVPG CC MNHCSGGPGT DRFDMLTPLV AWVERGEAPD QISAWSGTPG YFGVAARTRP LCPYPQIARY CC KGSGDINTEA NFACAAPP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MNHKVHHHHHHMGGGSTPLPLPQQQPPQQEPPPPPVPLASRAACEALKDG CC ATOM -----------------------------------VPLASRAACEALKD- CC ************** CC SEQRES NGDMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVSGAIAKRTGIDGY CC ATOM --DMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVSGAIAKRTGIDGY CC ************************************************ CC SEQRES PYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIGGGQIASALSRNF CC ATOM PYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIGGGQIASALSRNF CC ************************************************** CC SEQRES ATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDMGYNSYDQVTQAGKAA CC ATOM ATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDMGYNSYDQVTQAGKAA CC ************************************************** CC SEQRES VARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGIVAGAPGYQLPKA CC ATOM VARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGIVAGAPGYQLPKA CC ************************************************** CC SEQRES GISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLLSQAILGTCDALD CC ATOM GISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLLSQAILGTCDALD CC ************************************************** CC SEQRES GLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKTADCLSPVQVTAI CC ATOM GLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKTADCLSPVQVTAI CC ************************************************** CC SEQRES KRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWRSWWLGSFNSSAN CC ATOM KRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWRSWWLGSFNSSAN CC ************************************************** CC SEQRES NAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDFDIDPLKIWATSG CC ATOM NAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDFDIDPLKIWATSG CC ************************************************** CC SEQRES QFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAFSALDTADYYERL CC ATOM QFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAFSALDTADYYERL CC ************************************************** CC SEQRES GAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLVAWVERGEAPDQI CC ATOM GAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLVAWVERGEAPDQI CC ************************************************** CC SEQRES SAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEANFACAAPP CC ATOM SAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEANFACAAPP CC ********************************************** SQ SEQUENCE 596 AA; MW; CN; MNHKVHHHHH HMGGGSTPLP LPQQQPPQQE PPPPPVPLAS RAACEALKDG NGDMVWPNAA TVVEVAAWRD AAPATASAAA LPEHCEVSGA IAKRTGIDGY PYEIKFRLRM PAEWNGRFFM EGGSGTNGSL SAATGSIGGG QIASALSRNF ATIATDGGHD NAVNDNPDAL GTVAFGLDPQ ARLDMGYNSY DQVTQAGKAA VARFYGRAAD KSYFIGCSEG GREGMMLSQR FPSHYDGIVA GAPGYQLPKA GISGAWTTQS LAPAAVGLDA QGVPLINKSF SDADLHLLSQ AILGTCDALD GLADGIVDNY RACQAAFDPA TAANPANGQA LQCVGAKTAD CLSPVQVTAI KRAMAGPVNS AGTPLYNRWA WDAGMSGLSG TTYNQGWRSW WLGSFNSSAN NAQRVSGFSA RSWLVDFATP PEPMPMTQVA ARMMKFDFDI DPLKIWATSG QFTQSSMDWH GATSTDLAAF RDRGGKMILY HGMSDAAFSA LDTADYYERL GAAMPGAAGF ARLFLVPGMN HCSGGPGTDR FDMLTPLVAW VERGEAPDQI SAWSGTPGYF GVAARTRPLC PYPQIARYKG SGDINTEANF ACAAPP // ID 6QGAF STANDARD; PRT; 596 AA. DT CONVERTED FROM PDB (SEQRES) 6QGA DE Mono(2-hydroxyethyl) terephthalate hydrolase OS Ideonella sakaiensis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.173 FT #SUB 55 62 VAL F 202 209 ALA A Protein S 2 FT #SUB 55 62 VAL F 206 213 GLY A Protein S 3 FT #SUB 55 62 VAL F 207 214 ARG A Protein S 2 FT #SUB 55 62 VAL F 208 215 ALA A Protein S 1 FT #SUB 56 63 TRP F 208 215 ALA A Protein B 1 FT #SUB 183 190 LEU F 472 479 ASP A Protein S 2 FT #SUB 187 194 TYR F 469 476 ALA A Protein S 2 FT #SUB 202 209 ALA F 55 62 VAL A Protein S 1 FT #SUB 206 213 GLY F 55 62 VAL A Protein B 2 FT #SUB 207 214 ARG F 55 62 VAL A Protein B 3 FT #SUB 208 215 ALA F 55 62 VAL A Protein A 2 FT #SUB 453 460 THR F 471 478 ARG A Protein A 7 FT #SUB 453 460 THR F 472 479 ASP A Protein S 3 FT #SUB 454 461 GLN F 468 475 ALA A Protein S 5 FT #SUB 454 461 GLN F 469 476 ALA A Protein S 1 FT #SUB 454 461 GLN F 471 478 ARG A Protein S 1 FT #SUB 454 461 GLN F 472 479 ASP A Protein S 4 FT #SUB 468 475 ALA F 454 461 GLN A Protein A 5 FT #SUB 469 476 ALA F 187 194 TYR A Protein A 2 FT #SUB 469 476 ALA F 454 461 GLN A Protein B 1 FT #SUB 471 478 ARG F 453 460 THR A Protein S 4 FT #SUB 472 479 ASP F 183 190 LEU A Protein S 2 FT #SUB 472 479 ASP F 453 460 THR A Protein S 3 FT #SUB 472 479 ASP F 454 461 GLN A Protein S 4 FT #HET 55 62 VAL F 28 702 J1K F B 3 FT #HET 57 64 PRO F 28 702 J1K F B 3 FT #HET 58 65 ASN F 4 704 SO4 A S 2 FT #HET 124 131 SER F 27 701 J1K F A 6 FT #HET 125 132 GLY F 27 701 J1K F B 11 FT #HET 192 199 GLN F 4 704 SO4 A S 5 FT #HET 198 205 LYS F 5 705 MPD A A 4 FT #HET 199 206 ALA F 5 705 MPD A B 1 FT #HET 199 206 ALA F 28 702 J1K F A 3 FT #HET 202 209 ALA F 5 705 MPD A S 1 FT #HET 203 210 ARG F 28 702 J1K F S 3 FT #HET 218 225 SER F 27 701 J1K F S 10 FT #HET 219 226 GLU F 27 701 J1K F A 4 FT #HET 247 254 LEU F 27 701 J1K F S 4 FT #HET 250 257 ALA F 27 701 J1K F S 1 FT #HET 297 304 ASP F 32 706 CA F A 4 FT #HET 300 307 ASP F 32 706 CA F S 3 FT #HET 302 309 LEU F 32 706 CA F B 2 FT #HET 304 311 ASP F 32 706 CA F A 4 FT #HET 306 313 ILE F 32 706 CA F B 2 FT #HET 390 397 TRP F 27 701 J1K F S 3 FT #HET 404 411 ARG F 27 701 J1K F S 4 FT #HET 408 415 PHE F 27 701 J1K F S 9 FT #HET 409 416 SER F 27 701 J1K F A 7 FT #HET 473 480 ARG F 30 704 SO4 F S 9 FT #HET 488 495 PHE F 27 701 J1K F S 2 FT #HET 512 519 ARG F 29 703 SO4 F S 3 FT #HET 521 528 HIS F 27 701 J1K F S 7 FT #HET 522 529 CYS F 27 701 J1K F S 1 FT #HET 553 560 TRP F 31 705 SO4 F S 2 FT #HET 554 561 SER F 31 705 SO4 F B 1 FT #HET 555 562 GLY F 31 705 SO4 F B 1 FT #HET 557 564 PRO F 31 705 SO4 F S 1 FT #HET 563 570 ALA F 31 705 SO4 F B 1 FT #HET 571 578 PRO F 29 703 SO4 F A 3 FT #HET 574 581 GLN F 29 703 SO4 F S 3 FT DISORDER 1 35 FT DISORDER 50 51 CC SEQUENCE 559 AA (ATOM); CC VPLASRAACE ALKDGDMVWP NAATVVEVAA WRDAAPATAS AAALPEHCEV SGAIAKRTGI CC DGYPYEIKFR LRMPAEWNGR FFMEGGSGTN GSLSAATGSI GGGQIASALS RNFATIATDG CC GHDNAVNDNP DALGTVAFGL DPQARLDMGY NSYDQVTQAG KAAVARFYGR AADKSYFIGC CC SEGGREGMML SQRFPSHYDG IVAGAPGYQL PKAGISGAWT TQSLAPAAVG LDAQGVPLIN CC KSFSDADLHL LSQAILGTCD ALDGLADGIV DNYRACQAAF DPATAANPAN GQALQCVGAK CC TADCLSPVQV TAIKRAMAGP VNSAGTPLYN RWAWDAGMSG LSGTTYNQGW RSWWLGSFNS CC SANNAQRVSG FSARSWLVDF ATPPEPMPMT QVAARMMKFD FDIDPLKIWA TSGQFTQSSM CC DWHGATSTDL AAFRDRGGKM ILYHGMSDAA FSALDTADYY ERLGAAMPGA AGFARLFLVP CC GMNHCSGGPG TDRFDMLTPL VAWVERGEAP DQISAWSGTP GYFGVAARTR PLCPYPQIAR CC YKGSGDINTE ANFACAAPP CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MNHKVHHHHHHMGGGSTPLPLPQQQPPQQEPPPPPVPLASRAACEALKDG CC ATOM -----------------------------------VPLASRAACEALKD- CC ************** CC SEQRES NGDMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVSGAIAKRTGIDGY CC ATOM -GDMVWPNAATVVEVAAWRDAAPATASAAALPEHCEVSGAIAKRTGIDGY CC ************************************************* CC SEQRES PYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIGGGQIASALSRNF CC ATOM PYEIKFRLRMPAEWNGRFFMEGGSGTNGSLSAATGSIGGGQIASALSRNF CC ************************************************** CC SEQRES ATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDMGYNSYDQVTQAGKAA CC ATOM ATIATDGGHDNAVNDNPDALGTVAFGLDPQARLDMGYNSYDQVTQAGKAA CC ************************************************** CC SEQRES VARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGIVAGAPGYQLPKA CC ATOM VARFYGRAADKSYFIGCSEGGREGMMLSQRFPSHYDGIVAGAPGYQLPKA CC ************************************************** CC SEQRES GISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLLSQAILGTCDALD CC ATOM GISGAWTTQSLAPAAVGLDAQGVPLINKSFSDADLHLLSQAILGTCDALD CC ************************************************** CC SEQRES GLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKTADCLSPVQVTAI CC ATOM GLADGIVDNYRACQAAFDPATAANPANGQALQCVGAKTADCLSPVQVTAI CC ************************************************** CC SEQRES KRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWRSWWLGSFNSSAN CC ATOM KRAMAGPVNSAGTPLYNRWAWDAGMSGLSGTTYNQGWRSWWLGSFNSSAN CC ************************************************** CC SEQRES NAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDFDIDPLKIWATSG CC ATOM NAQRVSGFSARSWLVDFATPPEPMPMTQVAARMMKFDFDIDPLKIWATSG CC ************************************************** CC SEQRES QFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAFSALDTADYYERL CC ATOM QFTQSSMDWHGATSTDLAAFRDRGGKMILYHGMSDAAFSALDTADYYERL CC ************************************************** CC SEQRES GAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLVAWVERGEAPDQI CC ATOM GAAMPGAAGFARLFLVPGMNHCSGGPGTDRFDMLTPLVAWVERGEAPDQI CC ************************************************** CC SEQRES SAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEANFACAAPP CC ATOM SAWSGTPGYFGVAARTRPLCPYPQIARYKGSGDINTEANFACAAPP CC ********************************************** SQ SEQUENCE 596 AA; MW; CN; MNHKVHHHHH HMGGGSTPLP LPQQQPPQQE PPPPPVPLAS RAACEALKDG NGDMVWPNAA TVVEVAAWRD AAPATASAAA LPEHCEVSGA IAKRTGIDGY PYEIKFRLRM PAEWNGRFFM EGGSGTNGSL SAATGSIGGG QIASALSRNF ATIATDGGHD NAVNDNPDAL GTVAFGLDPQ ARLDMGYNSY DQVTQAGKAA VARFYGRAAD KSYFIGCSEG GREGMMLSQR FPSHYDGIVA GAPGYQLPKA GISGAWTTQS LAPAAVGLDA QGVPLINKSF SDADLHLLSQ AILGTCDALD GLADGIVDNY RACQAAFDPA TAANPANGQA LQCVGAKTAD CLSPVQVTAI KRAMAGPVNS AGTPLYNRWA WDAGMSGLSG TTYNQGWRSW WLGSFNSSAN NAQRVSGFSA RSWLVDFATP PEPMPMTQVA ARMMKFDFDI DPLKIWATSG QFTQSSMDWH GATSTDLAAF RDRGGKMILY HGMSDAAFSA LDTADYYERL GAAMPGAAGF ARLFLVPGMN HCSGGPGTDR FDMLTPLVAW VERGEAPDQI SAWSGTPGYF GVAARTRPLC PYPQIARYKG SGDINTEANF ACAAPP //