ID 5EY9A STANDARD; PRT; 629 AA. DT CONVERTED FROM PDB (SEQRES) 5EY9 DE Long-chain-fatty-acid--AMP ligase FadD32 OS Mycobacterium marinum CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.188 FT #HET 156 156 VAL A 5 705 GOL A B 1 FT #HET 157 157 ILE A 5 705 GOL A A 2 FT #HET 158 158 ALA A 5 705 GOL A A 10 FT #HET 161 161 ALA A 5 705 GOL A S 5 FT #HET 162 162 VAL A 5 705 GOL A A 2 FT #HET 230 230 HIS A 1 701 5SV A S 4 FT #HET 231 231 ASP A 1 701 5SV A S 6 FT #HET 232 232 MET A 1 701 5SV A S 2 FT #HET 236 236 THR A 1 701 5SV A S 1 FT #HET 268 268 ARG A 4 704 GOL A S 6 FT #HET 273 273 THR A 4 704 GOL A B 3 FT #HET 274 274 GLY A 4 704 GOL A B 3 FT #HET 278 278 SER A 1 701 5SV A B 2 FT #HET 279 279 ALA A 1 701 5SV A S 1 FT #HET 304 304 SER A 4 704 GOL A B 2 FT #HET 305 305 ASN A 4 704 GOL A A 3 FT #HET 307 307 LYS A 4 704 GOL A S 2 FT #HET 310 310 LEU A 1 701 5SV A S 2 FT #HET 313 313 SER A 1 701 5SV A A 21 FT #HET 314 314 GLU A 1 701 5SV A B 10 FT #HET 315 315 PRO A 1 701 5SV A A 7 FT #HET 341 341 SER A 1 701 5SV A A 7 FT #HET 342 342 TYR A 1 701 5SV A A 6 FT #HET 343 343 GLY A 1 701 5SV A B 14 FT #HET 344 344 LEU A 1 701 5SV A A 4 FT #HET 345 345 ALA A 1 701 5SV A B 1 FT #HET 349 349 LEU A 1 701 5SV A S 5 FT #HET 396 396 VAL A 2 702 GOL A B 2 FT #HET 397 397 ASP A 2 702 GOL A B 3 FT #HET 398 398 GLU A 2 702 GOL A B 4 FT #HET 399 399 TRP A 2 702 GOL A S 6 FT #HET 413 413 ASP A 3 703 GOL A S 3 FT #HET 468 468 ASP A 1 701 5SV A S 12 FT #HET 473 473 PHE A 3 703 GOL A S 3 FT #HET 474 474 LYS A 3 703 GOL A B 3 FT #HET 479 479 ILE A 1 701 5SV A S 6 FT #HET 482 482 ARG A 1 701 5SV A S 2 FT #HET 600 600 LYS A 1 701 5SV A S 5 FT DISORDER 1 2 FT DISORDER 113 114 FT DISORDER 174 175 FT DISORDER 187 191 FT DISORDER 618 622 FT DISORDER 627 629 CC SEQUENCE 610 AA (ATOM); CC YHNPFIVNGK IRFPENTNLV RHVEKWARVR GDKLAYRFLD FSTERDGVER DILWSEFSAR CC NRAVGARLQQ VTQPGDRIAI LCPQNLDYLI SFFGALYSGR IAVPLFDPAE HVGRLHAVLD CC DCTPSTILTT TDSAEGVRKF IRSRSAKERP RVIAVDAVPT EVASTWQQPN ELTTAYLQYT CC VPSGVQITHL NLPTNVLQVL NALEGQEGDR GVSWLPFFHD MGLITVLLAS VLGHSFTFMT CC PAAFVRRPGR WIRELARKPG ETGGTFSAAP NFAFEHAAMR GVPRDDEPPL DLSNVKGILN CC GSEPVSPASM RKFFKAFEPY GLRETAVKPS YGLAEATLFV STTPMDEVPT VIHVDRDELN CC KQRFVEVAAD APNAVAQVSA GKVGVDEWAV IVDTETASEL PDGQIGEIWL HGNNLGIGYW CC GKEEESAQTF RNILKSRVPE SHAEGAPDDG LWVRTGDYGT YFKGHLYIAG RIKDLVIIDG CC RNHYPQDLEY TAQESTKALR VGYVAAFSVP ANQLPQKVFD DPHAGLSFDP EDTSEQLVIV CC GERAAGTHKL EYQPIADDIR AAIAVGHGVT VRDVLLVSAG TIPRTSSGKI GRRACRTAYI CC DGSLRSTVFA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAYHNPFIVNGKIRFPENTNLVRHVEKWARVRGDKLAYRFLDFSTERDGV CC ATOM --YHNPFIVNGKIRFPENTNLVRHVEKWARVRGDKLAYRFLDFSTERDGV CC ************************************************ CC SEQRES ERDILWSEFSARNRAVGARLQQVTQPGDRIAILCPQNLDYLISFFGALYS CC ATOM ERDILWSEFSARNRAVGARLQQVTQPGDRIAILCPQNLDYLISFFGALYS CC ************************************************** CC SEQRES GRIAVPLFDPAEPGHVGRLHAVLDDCTPSTILTTTDSAEGVRKFIRSRSA CC ATOM GRIAVPLFDPAE--HVGRLHAVLDDCTPSTILTTTDSAEGVRKFIRSRSA CC ************ ************************************ CC SEQRES KERPRVIAVDAVPTEVASTWQQPEANELTTAYLQYTSGSTRVPSGVQITH CC ATOM KERPRVIAVDAVPTEVASTWQQP--NELTTAYLQYT-----VPSGVQITH CC *********************** *********** ********* CC SEQRES LNLPTNVLQVLNALEGQEGDRGVSWLPFFHDMGLITVLLASVLGHSFTFM CC ATOM LNLPTNVLQVLNALEGQEGDRGVSWLPFFHDMGLITVLLASVLGHSFTFM CC ************************************************** CC SEQRES TPAAFVRRPGRWIRELARKPGETGGTFSAAPNFAFEHAAMRGVPRDDEPP CC ATOM TPAAFVRRPGRWIRELARKPGETGGTFSAAPNFAFEHAAMRGVPRDDEPP CC ************************************************** CC SEQRES LDLSNVKGILNGSEPVSPASMRKFFKAFEPYGLRETAVKPSYGLAEATLF CC ATOM LDLSNVKGILNGSEPVSPASMRKFFKAFEPYGLRETAVKPSYGLAEATLF CC ************************************************** CC SEQRES VSTTPMDEVPTVIHVDRDELNKQRFVEVAADAPNAVAQVSAGKVGVDEWA CC ATOM VSTTPMDEVPTVIHVDRDELNKQRFVEVAADAPNAVAQVSAGKVGVDEWA CC ************************************************** CC SEQRES VIVDTETASELPDGQIGEIWLHGNNLGIGYWGKEEESAQTFRNILKSRVP CC ATOM VIVDTETASELPDGQIGEIWLHGNNLGIGYWGKEEESAQTFRNILKSRVP CC ************************************************** CC SEQRES ESHAEGAPDDGLWVRTGDYGTYFKGHLYIAGRIKDLVIIDGRNHYPQDLE CC ATOM ESHAEGAPDDGLWVRTGDYGTYFKGHLYIAGRIKDLVIIDGRNHYPQDLE CC ************************************************** CC SEQRES YTAQESTKALRVGYVAAFSVPANQLPQKVFDDPHAGLSFDPEDTSEQLVI CC ATOM YTAQESTKALRVGYVAAFSVPANQLPQKVFDDPHAGLSFDPEDTSEQLVI CC ************************************************** CC SEQRES VGERAAGTHKLEYQPIADDIRAAIAVGHGVTVRDVLLVSAGTIPRTSSGK CC ATOM VGERAAGTHKLEYQPIADDIRAAIAVGHGVTVRDVLLVSAGTIPRTSSGK CC ************************************************** CC SEQRES IGRRACRTAYIDGSLRSGVSSPTVFATGS CC ATOM IGRRACRTAYIDGSLRS-----TVFA--- CC ***************** **** SQ SEQUENCE 629 AA; MW; CN; MAYHNPFIVN GKIRFPENTN LVRHVEKWAR VRGDKLAYRF LDFSTERDGV ERDILWSEFS ARNRAVGARL QQVTQPGDRI AILCPQNLDY LISFFGALYS GRIAVPLFDP AEPGHVGRLH AVLDDCTPST ILTTTDSAEG VRKFIRSRSA KERPRVIAVD AVPTEVASTW QQPEANELTT AYLQYTSGST RVPSGVQITH LNLPTNVLQV LNALEGQEGD RGVSWLPFFH DMGLITVLLA SVLGHSFTFM TPAAFVRRPG RWIRELARKP GETGGTFSAA PNFAFEHAAM RGVPRDDEPP LDLSNVKGIL NGSEPVSPAS MRKFFKAFEP YGLRETAVKP SYGLAEATLF VSTTPMDEVP TVIHVDRDEL NKQRFVEVAA DAPNAVAQVS AGKVGVDEWA VIVDTETASE LPDGQIGEIW LHGNNLGIGY WGKEEESAQT FRNILKSRVP ESHAEGAPDD GLWVRTGDYG TYFKGHLYIA GRIKDLVIID GRNHYPQDLE YTAQESTKAL RVGYVAAFSV PANQLPQKVF DDPHAGLSFD PEDTSEQLVI VGERAAGTHK LEYQPIADDI RAAIAVGHGV TVRDVLLVSA GTIPRTSSGK IGRRACRTAY IDGSLRSGVS SPTVFATGS // ID 5EY9B STANDARD; PRT; 629 AA. DT CONVERTED FROM PDB (SEQRES) 5EY9 DE Long-chain-fatty-acid--AMP ligase FadD32 OS Mycobacterium marinum CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.188 FT #HET 210 210 VAL B 6 701 5SV B S 2 FT #HET 230 230 HIS B 6 701 5SV B S 4 FT #HET 231 231 ASP B 6 701 5SV B S 6 FT #HET 236 236 THR B 6 701 5SV B S 2 FT #HET 239 239 LEU B 6 701 5SV B S 1 FT #HET 268 268 ARG B 9 704 GOL B S 4 FT #HET 273 273 THR B 9 704 GOL B B 2 FT #HET 274 274 GLY B 9 704 GOL B B 1 FT #HET 275 275 GLY B 9 704 GOL B B 1 FT #HET 278 278 SER B 6 701 5SV B B 4 FT #HET 279 279 ALA B 6 701 5SV B S 2 FT #HET 304 304 SER B 9 704 GOL B B 2 FT #HET 305 305 ASN B 9 704 GOL B B 4 FT #HET 307 307 LYS B 9 704 GOL B S 3 FT #HET 310 310 LEU B 6 701 5SV B S 4 FT #HET 313 313 SER B 6 701 5SV B A 17 FT #HET 314 314 GLU B 6 701 5SV B B 9 FT #HET 315 315 PRO B 6 701 5SV B A 5 FT #HET 334 334 ARG B 9 704 GOL B S 3 FT #HET 341 341 SER B 6 701 5SV B A 6 FT #HET 342 342 TYR B 6 701 5SV B A 6 FT #HET 343 343 GLY B 6 701 5SV B B 15 FT #HET 344 344 LEU B 6 701 5SV B A 5 FT #HET 345 345 ALA B 6 701 5SV B B 1 FT #HET 349 349 LEU B 6 701 5SV B S 5 FT #HET 395 395 GLY B 7 702 GOL B B 1 FT #HET 396 396 VAL B 7 702 GOL B B 1 FT #HET 397 397 ASP B 7 702 GOL B B 3 FT #HET 398 398 GLU B 7 702 GOL B B 4 FT #HET 399 399 TRP B 7 702 GOL B S 5 FT #HET 413 413 ASP B 8 703 GOL B A 6 FT #HET 468 468 ASP B 6 701 5SV B S 12 FT #HET 473 473 PHE B 8 703 GOL B S 5 FT #HET 474 474 LYS B 8 703 GOL B B 2 FT #HET 479 479 ILE B 6 701 5SV B S 6 FT #HET 482 482 ARG B 6 701 5SV B S 2 FT #HET 600 600 LYS B 6 701 5SV B S 5 FT DISORDER 1 2 FT DISORDER 113 114 FT DISORDER 187 191 FT DISORDER 617 622 FT DISORDER 626 629 CC SEQUENCE 610 AA (ATOM); CC YHNPFIVNGK IRFPENTNLV RHVEKWARVR GDKLAYRFLD FSTERDGVER DILWSEFSAR CC NRAVGARLQQ VTQPGDRIAI LCPQNLDYLI SFFGALYSGR IAVPLFDPAE HVGRLHAVLD CC DCTPSTILTT TDSAEGVRKF IRSRSAKERP RVIAVDAVPT EVASTWQQPE ANELTTAYLQ CC YTVPSGVQIT HLNLPTNVLQ VLNALEGQEG DRGVSWLPFF HDMGLITVLL ASVLGHSFTF CC MTPAAFVRRP GRWIRELARK PGETGGTFSA APNFAFEHAA MRGVPRDDEP PLDLSNVKGI CC LNGSEPVSPA SMRKFFKAFE PYGLRETAVK PSYGLAEATL FVSTTPMDEV PTVIHVDRDE CC LNKQRFVEVA ADAPNAVAQV SAGKVGVDEW AVIVDTETAS ELPDGQIGEI WLHGNNLGIG CC YWGKEEESAQ TFRNILKSRV PESHAEGAPD DGLWVRTGDY GTYFKGHLYI AGRIKDLVII CC DGRNHYPQDL EYTAQESTKA LRVGYVAAFS VPANQLPQKV FDDPHAGLSF DPEDTSEQLV CC IVGERAAGTH KLEYQPIADD IRAAIAVGHG VTVRDVLLVS AGTIPRTSSG KIGRRACRTA CC YIDGSLRTVF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAYHNPFIVNGKIRFPENTNLVRHVEKWARVRGDKLAYRFLDFSTERDGV CC ATOM --YHNPFIVNGKIRFPENTNLVRHVEKWARVRGDKLAYRFLDFSTERDGV CC ************************************************ CC SEQRES ERDILWSEFSARNRAVGARLQQVTQPGDRIAILCPQNLDYLISFFGALYS CC ATOM ERDILWSEFSARNRAVGARLQQVTQPGDRIAILCPQNLDYLISFFGALYS CC ************************************************** CC SEQRES GRIAVPLFDPAEPGHVGRLHAVLDDCTPSTILTTTDSAEGVRKFIRSRSA CC ATOM GRIAVPLFDPAE--HVGRLHAVLDDCTPSTILTTTDSAEGVRKFIRSRSA CC ************ ************************************ CC SEQRES KERPRVIAVDAVPTEVASTWQQPEANELTTAYLQYTSGSTRVPSGVQITH CC ATOM KERPRVIAVDAVPTEVASTWQQPEANELTTAYLQYT-----VPSGVQITH CC ************************************ ********* CC SEQRES LNLPTNVLQVLNALEGQEGDRGVSWLPFFHDMGLITVLLASVLGHSFTFM CC ATOM LNLPTNVLQVLNALEGQEGDRGVSWLPFFHDMGLITVLLASVLGHSFTFM CC ************************************************** CC SEQRES TPAAFVRRPGRWIRELARKPGETGGTFSAAPNFAFEHAAMRGVPRDDEPP CC ATOM TPAAFVRRPGRWIRELARKPGETGGTFSAAPNFAFEHAAMRGVPRDDEPP CC ************************************************** CC SEQRES LDLSNVKGILNGSEPVSPASMRKFFKAFEPYGLRETAVKPSYGLAEATLF CC ATOM LDLSNVKGILNGSEPVSPASMRKFFKAFEPYGLRETAVKPSYGLAEATLF CC ************************************************** CC SEQRES VSTTPMDEVPTVIHVDRDELNKQRFVEVAADAPNAVAQVSAGKVGVDEWA CC ATOM VSTTPMDEVPTVIHVDRDELNKQRFVEVAADAPNAVAQVSAGKVGVDEWA CC ************************************************** CC SEQRES VIVDTETASELPDGQIGEIWLHGNNLGIGYWGKEEESAQTFRNILKSRVP CC ATOM VIVDTETASELPDGQIGEIWLHGNNLGIGYWGKEEESAQTFRNILKSRVP CC ************************************************** CC SEQRES ESHAEGAPDDGLWVRTGDYGTYFKGHLYIAGRIKDLVIIDGRNHYPQDLE CC ATOM ESHAEGAPDDGLWVRTGDYGTYFKGHLYIAGRIKDLVIIDGRNHYPQDLE CC ************************************************** CC SEQRES YTAQESTKALRVGYVAAFSVPANQLPQKVFDDPHAGLSFDPEDTSEQLVI CC ATOM YTAQESTKALRVGYVAAFSVPANQLPQKVFDDPHAGLSFDPEDTSEQLVI CC ************************************************** CC SEQRES VGERAAGTHKLEYQPIADDIRAAIAVGHGVTVRDVLLVSAGTIPRTSSGK CC ATOM VGERAAGTHKLEYQPIADDIRAAIAVGHGVTVRDVLLVSAGTIPRTSSGK CC ************************************************** CC SEQRES IGRRACRTAYIDGSLRSGVSSPTVFATGS CC ATOM IGRRACRTAYIDGSLR------TVF---- CC **************** *** SQ SEQUENCE 629 AA; MW; CN; MAYHNPFIVN GKIRFPENTN LVRHVEKWAR VRGDKLAYRF LDFSTERDGV ERDILWSEFS ARNRAVGARL QQVTQPGDRI AILCPQNLDY LISFFGALYS GRIAVPLFDP AEPGHVGRLH AVLDDCTPST ILTTTDSAEG VRKFIRSRSA KERPRVIAVD AVPTEVASTW QQPEANELTT AYLQYTSGST RVPSGVQITH LNLPTNVLQV LNALEGQEGD RGVSWLPFFH DMGLITVLLA SVLGHSFTFM TPAAFVRRPG RWIRELARKP GETGGTFSAA PNFAFEHAAM RGVPRDDEPP LDLSNVKGIL NGSEPVSPAS MRKFFKAFEP YGLRETAVKP SYGLAEATLF VSTTPMDEVP TVIHVDRDEL NKQRFVEVAA DAPNAVAQVS AGKVGVDEWA VIVDTETASE LPDGQIGEIW LHGNNLGIGY WGKEEESAQT FRNILKSRVP ESHAEGAPDD GLWVRTGDYG TYFKGHLYIA GRIKDLVIID GRNHYPQDLE YTAQESTKAL RVGYVAAFSV PANQLPQKVF DDPHAGLSFD PEDTSEQLVI VGERAAGTHK LEYQPIADDI RAAIAVGHGV TVRDVLLVSA GTIPRTSSGK IGRRACRTAY IDGSLRSGVS SPTVFATGS //