ID 3CW8X STANDARD; PRT; 504 AA. DT CONVERTED FROM PDB (SEQRES) 3CW8 DE 4-chlorobenzoyl CoA ligase OS Alcaligenes sp. CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.250 CC R-Factor 0.199 FT #HET 1 1 MET X 3 802 EDO X B 1 FT #HET 3 3 THR X 3 802 EDO X S 1 FT #HET 8 8 LEU X 4 803 EDO X B 1 FT #HET 12 12 ALA X 4 803 EDO X S 1 FT #HET 14 14 ARG X 2 801 EDO X B 1 FT #HET 16 16 PRO X 2 801 EDO X S 1 FT #HET 32 32 HIS X 4 803 EDO X B 4 FT #HET 35 35 LEU X 4 803 EDO X S 4 FT #HET 36 36 ARG X 4 803 EDO X A 12 FT #HET 150 150 ARG X 3 802 EDO X A 5 FT #HET 161 161 THR X 1 909 00A X S 2 FT #HET 207 207 HIS X 1 909 00A X S 12 FT #HET 208 208 VAL X 1 909 00A X S 2 FT #HET 209 209 VAL X 1 909 00A X S 3 FT #HET 280 280 ALA X 1 909 00A X A 2 FT #HET 281 281 GLY X 1 909 00A X B 21 FT #HET 282 282 ALA X 1 909 00A X B 7 FT #HET 283 283 THR X 1 909 00A X A 3 FT #HET 302 302 ASN X 1 909 00A X S 2 FT #HET 303 303 ILE X 1 909 00A X A 6 FT #HET 304 304 TYR X 1 909 00A X A 13 FT #HET 305 305 GLY X 1 909 00A X B 28 FT #HET 306 306 THR X 1 909 00A X A 11 FT #HET 307 307 THR X 1 909 00A X A 5 FT #HET 310 310 MET X 1 909 00A X A 5 FT #HET 311 311 ASN X 1 909 00A X A 3 FT #HET 314 314 TYR X 5 804 EDO X A 10 FT #HET 315 315 MET X 5 804 EDO X A 5 FT #HET 316 316 ARG X 5 804 EDO X A 5 FT #HET 324 324 MET X 1 909 00A X S 4 FT #HET 325 325 ALA X 5 804 EDO X A 4 FT #HET 385 385 ASP X 1 909 00A X S 4 FT #HET 400 400 ARG X 1 909 00A X S 2 FT DISORDER 439 439 FT DISORDER 503 504 CC SEQUENCE 501 AA (ATOM); CC MQTVNEMLRR AATRAPDHCA LAVPARGLRL THAELRARVE AVAARLHADG LRPQQRVAVV CC APNSADVVIA ILALHRLGAV PALLNPRLKS AELAELIKRG EMTAAVIAVG RQVADAIFQS CC GSGARIIFLG DLVRDGEPYS YGPPIEDPQR EPAQPAFIFY TSGTTGLPKA AIIPQRAAES CC RVLFMSTQVG LRHGRHNVVL GLMPLYHVVG FFAVLVAALA LDGTYVVIEE FRPVDALQLV CC QQEQVTSLFA TPTHLDALAA AAAHAGSSLK LDSLRHVTFA GATMPDAVLE TVHQHLPGEK CC VNIYGTTEAM NSLYMRQPKT GTEMAPGFFS EVRIVRIGGG VDEIVANGEE GELIVAASDS CC AFVGYLNQPE ATAEKLQDGW YRTSDVAVWT PEGTVRILGR VDDMIISGGE NIHPSEIERV CC LGTAPGVTEV VVIGLADQWG QSVTACVVPR LGETLSADAL DTFCRSSELA DFKRPKRYFI CC LDQLPKNALN KVLRRQLVQQ V CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MQTVNEMLRRAATRAPDHCALAVPARGLRLTHAELRARVEAVAARLHADG CC ATOM MQTVNEMLRRAATRAPDHCALAVPARGLRLTHAELRARVEAVAARLHADG CC ************************************************** CC SEQRES LRPQQRVAVVAPNSADVVIAILALHRLGAVPALLNPRLKSAELAELIKRG CC ATOM LRPQQRVAVVAPNSADVVIAILALHRLGAVPALLNPRLKSAELAELIKRG CC ************************************************** CC SEQRES EMTAAVIAVGRQVADAIFQSGSGARIIFLGDLVRDGEPYSYGPPIEDPQR CC ATOM EMTAAVIAVGRQVADAIFQSGSGARIIFLGDLVRDGEPYSYGPPIEDPQR CC ************************************************** CC SEQRES EPAQPAFIFYTSGTTGLPKAAIIPQRAAESRVLFMSTQVGLRHGRHNVVL CC ATOM EPAQPAFIFYTSGTTGLPKAAIIPQRAAESRVLFMSTQVGLRHGRHNVVL CC ************************************************** CC SEQRES GLMPLYHVVGFFAVLVAALALDGTYVVIEEFRPVDALQLVQQEQVTSLFA CC ATOM GLMPLYHVVGFFAVLVAALALDGTYVVIEEFRPVDALQLVQQEQVTSLFA CC ************************************************** CC SEQRES TPTHLDALAAAAAHAGSSLKLDSLRHVTFAGATMPDAVLETVHQHLPGEK CC ATOM TPTHLDALAAAAAHAGSSLKLDSLRHVTFAGATMPDAVLETVHQHLPGEK CC ************************************************** CC SEQRES VNIYGTTEAMNSLYMRQPKTGTEMAPGFFSEVRIVRIGGGVDEIVANGEE CC ATOM VNIYGTTEAMNSLYMRQPKTGTEMAPGFFSEVRIVRIGGGVDEIVANGEE CC ************************************************** CC SEQRES GELIVAASDSAFVGYLNQPEATAEKLQDGWYRTSDVAVWTPEGTVRILGR CC ATOM GELIVAASDSAFVGYLNQPEATAEKLQDGWYRTSDVAVWTPEGTVRILGR CC ************************************************** CC SEQRES VDDMIISGGENIHPSEIERVLGTAPGVTEVVVIGLADQRWGQSVTACVVP CC ATOM VDDMIISGGENIHPSEIERVLGTAPGVTEVVVIGLADQ-WGQSVTACVVP CC ************************************** *********** CC SEQRES RLGETLSADALDTFCRSSELADFKRPKRYFILDQLPKNALNKVLRRQLVQ CC ATOM RLGETLSADALDTFCRSSELADFKRPKRYFILDQLPKNALNKVLRRQLVQ CC ************************************************** CC SEQRES QVSS CC ATOM QV-- CC ** SQ SEQUENCE 504 AA; MW; CN; MQTVNEMLRR AATRAPDHCA LAVPARGLRL THAELRARVE AVAARLHADG LRPQQRVAVV APNSADVVIA ILALHRLGAV PALLNPRLKS AELAELIKRG EMTAAVIAVG RQVADAIFQS GSGARIIFLG DLVRDGEPYS YGPPIEDPQR EPAQPAFIFY TSGTTGLPKA AIIPQRAAES RVLFMSTQVG LRHGRHNVVL GLMPLYHVVG FFAVLVAALA LDGTYVVIEE FRPVDALQLV QQEQVTSLFA TPTHLDALAA AAAHAGSSLK LDSLRHVTFA GATMPDAVLE TVHQHLPGEK VNIYGTTEAM NSLYMRQPKT GTEMAPGFFS EVRIVRIGGG VDEIVANGEE GELIVAASDS AFVGYLNQPE ATAEKLQDGW YRTSDVAVWT PEGTVRILGR VDDMIISGGE NIHPSEIERV LGTAPGVTEV VVIGLADQRW GQSVTACVVP RLGETLSADA LDTFCRSSEL ADFKRPKRYF ILDQLPKNAL NKVLRRQLVQ QVSS //