ID 1AQ6A STANDARD; PRT; 253 AA. DT CONVERTED FROM PDB (SEQRES) 1AQ6 DE L-2-HALOACID DEHALOGENASE OS Xanthobacter autotrophicus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.192 FT #SUB 27 27 TYR A 203 203 VAL B Protein S 4 FT #SUB 30 30 ARG A 202 202 LEU B Protein S 6 FT #SUB 30 30 ARG A 203 203 VAL B Protein S 2 FT #SUB 30 30 ARG A 204 204 SER B Protein S 1 FT #SUB 30 30 ARG A 205 205 GLY B Protein S 3 FT #SUB 30 30 ARG A 207 207 ILE B Protein S 4 FT #SUB 33 33 TYR A 202 202 LEU B Protein S 5 FT #SUB 33 33 TYR A 207 207 ILE B Protein S 3 FT #SUB 33 33 TYR A 212 212 MET B Protein S 2 FT #SUB 33 33 TYR A 215 215 ALA B Protein S 1 FT #SUB 37 37 VAL A 212 212 MET B Protein S 1 FT #SUB 40 40 GLN A 40 40 GLN B Protein S 1 FT #SUB 40 40 GLN A 44 44 GLU B Protein S 1 FT #SUB 40 40 GLN A 216 216 LEU B Protein S 1 FT #SUB 41 41 LYS A 216 216 LEU B Protein S 3 FT #SUB 41 41 LYS A 217 217 ARG B Protein S 1 FT #SUB 41 41 LYS A 221 221 GLU B Protein S 5 FT #SUB 44 44 GLU A 40 40 GLN B Protein S 1 FT #SUB 44 44 GLU A 217 217 ARG B Protein S 8 FT #SUB 45 45 TYR A 221 221 GLU B Protein S 9 FT #SUB 45 45 TYR A 222 222 THR B Protein S 5 FT #SUB 45 45 TYR A 223 223 TYR B Protein S 8 FT #SUB 47 47 TRP A 44 44 GLU B Protein S 1 FT #SUB 47 47 TRP A 47 47 TRP B Protein S 1 FT #SUB 47 47 TRP A 48 48 LEU B Protein S 5 FT #SUB 47 47 TRP A 51 51 LEU B Protein B 2 FT #SUB 48 48 LEU A 47 47 TRP B Protein S 4 FT #SUB 48 48 LEU A 148 148 PRO B Protein S 2 FT #SUB 48 48 LEU A 175 175 PHE B Protein S 2 FT #SUB 48 48 LEU A 223 223 TYR B Protein S 4 FT #SUB 49 49 ARG A 223 223 TYR B Protein S 4 FT #SUB 50 50 ALA A 51 51 LEU B Protein S 1 FT #SUB 51 51 LEU A 47 47 TRP B Protein S 2 FT #SUB 51 51 LEU A 50 50 ALA B Protein S 2 FT #SUB 51 51 LEU A 51 51 LEU B Protein S 1 FT #SUB 51 51 LEU A 148 148 PRO B Protein S 1 FT #SUB 51 51 LEU A 149 149 HIS B Protein A 2 FT #SUB 51 51 LEU A 150 150 PRO B Protein B 1 FT #SUB 52 52 MET A 148 148 PRO B Protein S 3 FT #SUB 52 52 MET A 178 178 GLY B Protein S 2 FT #SUB 52 52 MET A 179 179 GLY B Protein S 2 FT #SUB 52 52 MET A 182 182 ASN B Protein A 2 FT #SUB 52 52 MET A 223 223 TYR B Protein S 2 FT #SUB 54 54 ARG A 182 182 ASN B Protein S 7 FT #SUB 64 64 GLU A 222 222 THR B Protein B 3 FT #SUB 64 64 GLU A 223 223 TYR B Protein S 4 FT #SUB 68 68 TYR A 215 215 ALA B Protein S 4 FT #SUB 68 68 TYR A 216 216 LEU B Protein S 3 FT #SUB 68 68 TYR A 219 219 ARG B Protein S 4 FT #SUB 68 68 TYR A 220 220 GLU B Protein S 2 FT #SUB 68 68 TYR A 221 221 GLU B Protein S 2 FT #SUB 68 68 TYR A 222 222 THR B Protein A 4 FT #SUB 71 71 GLY A 219 219 ARG B Protein B 2 FT #SUB 72 72 THR A 199 199 ALA B Protein B 3 FT #SUB 72 72 THR A 202 202 LEU B Protein A 4 FT #SUB 72 72 THR A 215 215 ALA B Protein S 1 FT #SUB 72 72 THR A 219 219 ARG B Protein A 6 FT #SUB 73 73 LEU A 199 199 ALA B Protein B 2 FT #SUB 73 73 LEU A 202 202 LEU B Protein S 1 FT #SUB 74 74 GLY A 199 199 ALA B Protein B 2 FT #SUB 148 148 PRO A 48 48 LEU B Protein S 2 FT #SUB 148 148 PRO A 51 51 LEU B Protein S 2 FT #SUB 148 148 PRO A 52 52 MET B Protein A 4 FT #SUB 149 149 HIS A 51 51 LEU B Protein A 3 FT #SUB 150 150 PRO A 51 51 LEU B Protein S 1 FT #SUB 150 150 PRO A 52 52 MET B Protein S 2 FT #SUB 175 175 PHE A 48 48 LEU B Protein S 2 FT #SUB 178 178 GLY A 52 52 MET B Protein B 2 FT #SUB 179 179 GLY A 52 52 MET B Protein B 2 FT #SUB 182 182 ASN A 52 52 MET B Protein S 7 FT #SUB 182 182 ASN A 54 54 ARG B Protein A 19 FT #SUB 199 199 ALA A 72 72 THR B Protein A 3 FT #SUB 199 199 ALA A 73 73 LEU B Protein S 2 FT #SUB 199 199 ALA A 74 74 GLY B Protein S 2 FT #SUB 202 202 LEU A 30 30 ARG B Protein B 4 FT #SUB 202 202 LEU A 33 33 TYR B Protein S 4 FT #SUB 202 202 LEU A 72 72 THR B Protein S 4 FT #SUB 202 202 LEU A 73 73 LEU B Protein S 2 FT #SUB 203 203 VAL A 27 27 TYR B Protein S 1 FT #SUB 203 203 VAL A 30 30 ARG B Protein B 1 FT #SUB 205 205 GLY A 30 30 ARG B Protein B 1 FT #SUB 207 207 ILE A 30 30 ARG B Protein S 6 FT #SUB 207 207 ILE A 209 209 PRO B Protein B 2 FT #SUB 209 209 PRO A 207 207 ILE B Protein S 3 FT #SUB 209 209 PRO A 212 212 MET B Protein S 1 FT #SUB 212 212 MET A 33 33 TYR B Protein S 3 FT #SUB 212 212 MET A 37 37 VAL B Protein S 1 FT #SUB 212 212 MET A 209 209 PRO B Protein S 1 FT #SUB 212 212 MET A 213 213 PHE B Protein S 5 FT #SUB 213 213 PHE A 212 212 MET B Protein S 2 FT #SUB 215 215 ALA A 33 33 TYR B Protein S 1 FT #SUB 215 215 ALA A 68 68 TYR B Protein B 4 FT #SUB 215 215 ALA A 72 72 THR B Protein B 1 FT #SUB 216 216 LEU A 40 40 GLN B Protein S 1 FT #SUB 216 216 LEU A 41 41 LYS B Protein B 3 FT #SUB 216 216 LEU A 68 68 TYR B Protein B 2 FT #SUB 216 216 LEU A 216 216 LEU B Protein S 1 FT #SUB 217 217 ARG A 41 41 LYS B Protein S 1 FT #SUB 217 217 ARG A 44 44 GLU B Protein S 8 FT #SUB 219 219 ARG A 68 68 TYR B Protein S 4 FT #SUB 219 219 ARG A 71 71 GLY B Protein S 5 FT #SUB 219 219 ARG A 72 72 THR B Protein S 7 FT #SUB 220 220 GLU A 68 68 TYR B Protein B 2 FT #SUB 221 221 GLU A 41 41 LYS B Protein S 5 FT #SUB 221 221 GLU A 45 45 TYR B Protein A 10 FT #SUB 221 221 GLU A 68 68 TYR B Protein S 2 FT #SUB 222 222 THR A 45 45 TYR B Protein B 3 FT #SUB 222 222 THR A 64 64 GLU B Protein S 3 FT #SUB 222 222 THR A 68 68 TYR B Protein S 4 FT #SUB 223 223 TYR A 45 45 TYR B Protein S 7 FT #SUB 223 223 TYR A 48 48 LEU B Protein S 4 FT #SUB 223 223 TYR A 49 49 ARG B Protein A 4 FT #SUB 223 223 TYR A 52 52 MET B Protein S 2 FT #SUB 223 223 TYR A 64 64 GLU B Protein A 6 FT #SUB 225 225 GLU A 54 54 ARG B Protein S 1 FT #HET 8 8 ASP A 1 254 FMT A S 4 FT #HET 9 9 ALA A 1 254 FMT A A 5 FT #HET 10 10 TYR A 1 254 FMT A A 5 FT #HET 36 36 GLN A 2 255 FMT A A 6 FT #HET 39 39 ARG A 2 255 FMT A S 5 FT #HET 114 114 SER A 1 254 FMT A A 7 FT #HET 115 115 ASN A 1 254 FMT A A 7 FT #HET 147 147 LYS A 1 254 FMT A S 3 FT #HET 213 213 PHE A 2 255 FMT A S 3 FT #HET 217 217 ARG A 2 255 FMT A S 4 FT DISORDER 246 253 CC SEQUENCE 245 AA (ATOM); CC MIKAVVFDAY GTLFDVQSVA DATERAYPGR GEYITQVWRQ KQLEYSWLRA LMGRYADFWG CC VTREALAYTL GTLGLEPDES FLADMAQAYN RLTPYPDAAQ CLAELAPLKR AILSNGAPDM CC LQALVANAGL TDSFDAVISV DAKRVFKPHP DSYALVEEVL GVTPAEVLFV SSNGFDVGGA CC KNFGFSVARV ARLSQEALAR ELVSGTIAPL TMFKALRMRE ETYAEAPDFV VPALGDLPRL CC VRGMA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MIKAVVFDAYGTLFDVQSVADATERAYPGRGEYITQVWRQKQLEYSWLRA CC ATOM MIKAVVFDAYGTLFDVQSVADATERAYPGRGEYITQVWRQKQLEYSWLRA CC ************************************************** CC SEQRES LMGRYADFWGVTREALAYTLGTLGLEPDESFLADMAQAYNRLTPYPDAAQ CC ATOM LMGRYADFWGVTREALAYTLGTLGLEPDESFLADMAQAYNRLTPYPDAAQ CC ************************************************** CC SEQRES CLAELAPLKRAILSNGAPDMLQALVANAGLTDSFDAVISVDAKRVFKPHP CC ATOM CLAELAPLKRAILSNGAPDMLQALVANAGLTDSFDAVISVDAKRVFKPHP CC ************************************************** CC SEQRES DSYALVEEVLGVTPAEVLFVSSNGFDVGGAKNFGFSVARVARLSQEALAR CC ATOM DSYALVEEVLGVTPAEVLFVSSNGFDVGGAKNFGFSVARVARLSQEALAR CC ************************************************** CC SEQRES ELVSGTIAPLTMFKALRMREETYAEAPDFVVPALGDLPRLVRGMAGAHLA CC ATOM ELVSGTIAPLTMFKALRMREETYAEAPDFVVPALGDLPRLVRGMA----- CC ********************************************* CC SEQRES PAV CC ATOM --- CC SQ SEQUENCE 253 AA; MW; CN; MIKAVVFDAY GTLFDVQSVA DATERAYPGR GEYITQVWRQ KQLEYSWLRA LMGRYADFWG VTREALAYTL GTLGLEPDES FLADMAQAYN RLTPYPDAAQ CLAELAPLKR AILSNGAPDM LQALVANAGL TDSFDAVISV DAKRVFKPHP DSYALVEEVL GVTPAEVLFV SSNGFDVGGA KNFGFSVARV ARLSQEALAR ELVSGTIAPL TMFKALRMRE ETYAEAPDFV VPALGDLPRL VRGMAGAHLA PAV // ID 1AQ6B STANDARD; PRT; 253 AA. DT CONVERTED FROM PDB (SEQRES) 1AQ6 DE L-2-HALOACID DEHALOGENASE OS Xanthobacter autotrophicus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.192 FT #SUB 27 27 TYR B 203 203 VAL A Protein S 1 FT #SUB 30 30 ARG B 202 202 LEU A Protein S 4 FT #SUB 30 30 ARG B 203 203 VAL A Protein S 1 FT #SUB 30 30 ARG B 205 205 GLY A Protein S 1 FT #SUB 30 30 ARG B 207 207 ILE A Protein S 6 FT #SUB 33 33 TYR B 202 202 LEU A Protein S 4 FT #SUB 33 33 TYR B 212 212 MET A Protein S 3 FT #SUB 33 33 TYR B 215 215 ALA A Protein S 1 FT #SUB 37 37 VAL B 212 212 MET A Protein S 1 FT #SUB 40 40 GLN B 40 40 GLN A Protein S 1 FT #SUB 40 40 GLN B 44 44 GLU A Protein S 1 FT #SUB 40 40 GLN B 216 216 LEU A Protein S 1 FT #SUB 41 41 LYS B 216 216 LEU A Protein S 3 FT #SUB 41 41 LYS B 217 217 ARG A Protein S 1 FT #SUB 41 41 LYS B 221 221 GLU A Protein S 5 FT #SUB 44 44 GLU B 40 40 GLN A Protein S 1 FT #SUB 44 44 GLU B 47 47 TRP A Protein S 1 FT #SUB 44 44 GLU B 217 217 ARG A Protein S 8 FT #SUB 45 45 TYR B 221 221 GLU A Protein S 10 FT #SUB 45 45 TYR B 222 222 THR A Protein S 3 FT #SUB 45 45 TYR B 223 223 TYR A Protein S 7 FT #SUB 47 47 TRP B 47 47 TRP A Protein S 1 FT #SUB 47 47 TRP B 48 48 LEU A Protein S 4 FT #SUB 47 47 TRP B 51 51 LEU A Protein B 2 FT #SUB 48 48 LEU B 47 47 TRP A Protein S 5 FT #SUB 48 48 LEU B 148 148 PRO A Protein S 2 FT #SUB 48 48 LEU B 175 175 PHE A Protein S 2 FT #SUB 48 48 LEU B 223 223 TYR A Protein S 4 FT #SUB 49 49 ARG B 223 223 TYR A Protein S 4 FT #SUB 50 50 ALA B 51 51 LEU A Protein A 2 FT #SUB 51 51 LEU B 47 47 TRP A Protein S 2 FT #SUB 51 51 LEU B 50 50 ALA A Protein S 1 FT #SUB 51 51 LEU B 51 51 LEU A Protein B 1 FT #SUB 51 51 LEU B 148 148 PRO A Protein S 2 FT #SUB 51 51 LEU B 149 149 HIS A Protein A 3 FT #SUB 51 51 LEU B 150 150 PRO A Protein B 1 FT #SUB 52 52 MET B 148 148 PRO A Protein A 4 FT #SUB 52 52 MET B 150 150 PRO A Protein B 2 FT #SUB 52 52 MET B 178 178 GLY A Protein S 2 FT #SUB 52 52 MET B 179 179 GLY A Protein S 2 FT #SUB 52 52 MET B 182 182 ASN A Protein A 7 FT #SUB 52 52 MET B 223 223 TYR A Protein S 2 FT #SUB 54 54 ARG B 182 182 ASN A Protein S 19 FT #SUB 54 54 ARG B 225 225 GLU A Protein S 1 FT #SUB 64 64 GLU B 222 222 THR A Protein B 3 FT #SUB 64 64 GLU B 223 223 TYR A Protein S 6 FT #SUB 68 68 TYR B 215 215 ALA A Protein S 4 FT #SUB 68 68 TYR B 216 216 LEU A Protein S 2 FT #SUB 68 68 TYR B 219 219 ARG A Protein S 4 FT #SUB 68 68 TYR B 220 220 GLU A Protein S 2 FT #SUB 68 68 TYR B 221 221 GLU A Protein S 2 FT #SUB 68 68 TYR B 222 222 THR A Protein A 4 FT #SUB 71 71 GLY B 219 219 ARG A Protein B 5 FT #SUB 72 72 THR B 199 199 ALA A Protein B 3 FT #SUB 72 72 THR B 202 202 LEU A Protein A 4 FT #SUB 72 72 THR B 215 215 ALA A Protein S 1 FT #SUB 72 72 THR B 219 219 ARG A Protein A 7 FT #SUB 73 73 LEU B 199 199 ALA A Protein B 2 FT #SUB 73 73 LEU B 202 202 LEU A Protein S 2 FT #SUB 74 74 GLY B 199 199 ALA A Protein B 2 FT #SUB 148 148 PRO B 48 48 LEU A Protein S 2 FT #SUB 148 148 PRO B 51 51 LEU A Protein S 1 FT #SUB 148 148 PRO B 52 52 MET A Protein A 3 FT #SUB 149 149 HIS B 51 51 LEU A Protein A 2 FT #SUB 150 150 PRO B 51 51 LEU A Protein S 1 FT #SUB 175 175 PHE B 48 48 LEU A Protein S 2 FT #SUB 178 178 GLY B 52 52 MET A Protein B 2 FT #SUB 179 179 GLY B 52 52 MET A Protein B 2 FT #SUB 182 182 ASN B 52 52 MET A Protein S 2 FT #SUB 182 182 ASN B 54 54 ARG A Protein S 7 FT #SUB 199 199 ALA B 72 72 THR A Protein A 3 FT #SUB 199 199 ALA B 73 73 LEU A Protein S 2 FT #SUB 199 199 ALA B 74 74 GLY A Protein S 2 FT #SUB 202 202 LEU B 30 30 ARG A Protein B 6 FT #SUB 202 202 LEU B 33 33 TYR A Protein S 5 FT #SUB 202 202 LEU B 72 72 THR A Protein S 4 FT #SUB 202 202 LEU B 73 73 LEU A Protein S 1 FT #SUB 203 203 VAL B 27 27 TYR A Protein S 4 FT #SUB 203 203 VAL B 30 30 ARG A Protein B 2 FT #SUB 204 204 SER B 30 30 ARG A Protein B 1 FT #SUB 205 205 GLY B 30 30 ARG A Protein B 3 FT #SUB 207 207 ILE B 30 30 ARG A Protein S 4 FT #SUB 207 207 ILE B 33 33 TYR A Protein S 3 FT #SUB 207 207 ILE B 209 209 PRO A Protein A 3 FT #SUB 209 209 PRO B 207 207 ILE A Protein S 2 FT #SUB 209 209 PRO B 212 212 MET A Protein S 1 FT #SUB 212 212 MET B 33 33 TYR A Protein S 2 FT #SUB 212 212 MET B 37 37 VAL A Protein S 1 FT #SUB 212 212 MET B 209 209 PRO A Protein S 1 FT #SUB 212 212 MET B 213 213 PHE A Protein S 2 FT #SUB 213 213 PHE B 212 212 MET A Protein S 5 FT #SUB 215 215 ALA B 33 33 TYR A Protein S 1 FT #SUB 215 215 ALA B 68 68 TYR A Protein B 4 FT #SUB 215 215 ALA B 72 72 THR A Protein B 1 FT #SUB 216 216 LEU B 40 40 GLN A Protein S 1 FT #SUB 216 216 LEU B 41 41 LYS A Protein B 3 FT #SUB 216 216 LEU B 68 68 TYR A Protein B 3 FT #SUB 216 216 LEU B 216 216 LEU A Protein S 1 FT #SUB 217 217 ARG B 41 41 LYS A Protein S 1 FT #SUB 217 217 ARG B 44 44 GLU A Protein S 8 FT #SUB 219 219 ARG B 68 68 TYR A Protein S 4 FT #SUB 219 219 ARG B 71 71 GLY A Protein S 2 FT #SUB 219 219 ARG B 72 72 THR A Protein S 6 FT #SUB 220 220 GLU B 68 68 TYR A Protein B 2 FT #SUB 221 221 GLU B 41 41 LYS A Protein S 5 FT #SUB 221 221 GLU B 45 45 TYR A Protein A 9 FT #SUB 221 221 GLU B 68 68 TYR A Protein S 2 FT #SUB 222 222 THR B 45 45 TYR A Protein A 5 FT #SUB 222 222 THR B 64 64 GLU A Protein S 3 FT #SUB 222 222 THR B 68 68 TYR A Protein S 4 FT #SUB 223 223 TYR B 45 45 TYR A Protein S 8 FT #SUB 223 223 TYR B 48 48 LEU A Protein S 4 FT #SUB 223 223 TYR B 49 49 ARG A Protein A 4 FT #SUB 223 223 TYR B 52 52 MET A Protein S 2 FT #SUB 223 223 TYR B 64 64 GLU A Protein A 4 FT #HET 8 8 ASP B 3 254 FMT B S 3 FT #HET 9 9 ALA B 3 254 FMT B A 5 FT #HET 10 10 TYR B 3 254 FMT B A 7 FT #HET 114 114 SER B 3 254 FMT B A 10 FT #HET 115 115 ASN B 3 254 FMT B A 7 FT #HET 147 147 LYS B 3 254 FMT B S 3 FT DISORDER 246 253 CC SEQUENCE 245 AA (ATOM); CC MIKAVVFDAY GTLFDVQSVA DATERAYPGR GEYITQVWRQ KQLEYSWLRA LMGRYADFWG CC VTREALAYTL GTLGLEPDES FLADMAQAYN RLTPYPDAAQ CLAELAPLKR AILSNGAPDM CC LQALVANAGL TDSFDAVISV DAKRVFKPHP DSYALVEEVL GVTPAEVLFV SSNGFDVGGA CC KNFGFSVARV ARLSQEALAR ELVSGTIAPL TMFKALRMRE ETYAEAPDFV VPALGDLPRL CC VRGMA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MIKAVVFDAYGTLFDVQSVADATERAYPGRGEYITQVWRQKQLEYSWLRA CC ATOM MIKAVVFDAYGTLFDVQSVADATERAYPGRGEYITQVWRQKQLEYSWLRA CC ************************************************** CC SEQRES LMGRYADFWGVTREALAYTLGTLGLEPDESFLADMAQAYNRLTPYPDAAQ CC ATOM LMGRYADFWGVTREALAYTLGTLGLEPDESFLADMAQAYNRLTPYPDAAQ CC ************************************************** CC SEQRES CLAELAPLKRAILSNGAPDMLQALVANAGLTDSFDAVISVDAKRVFKPHP CC ATOM CLAELAPLKRAILSNGAPDMLQALVANAGLTDSFDAVISVDAKRVFKPHP CC ************************************************** CC SEQRES DSYALVEEVLGVTPAEVLFVSSNGFDVGGAKNFGFSVARVARLSQEALAR CC ATOM DSYALVEEVLGVTPAEVLFVSSNGFDVGGAKNFGFSVARVARLSQEALAR CC ************************************************** CC SEQRES ELVSGTIAPLTMFKALRMREETYAEAPDFVVPALGDLPRLVRGMAGAHLA CC ATOM ELVSGTIAPLTMFKALRMREETYAEAPDFVVPALGDLPRLVRGMA----- CC ********************************************* CC SEQRES PAV CC ATOM --- CC SQ SEQUENCE 253 AA; MW; CN; MIKAVVFDAY GTLFDVQSVA DATERAYPGR GEYITQVWRQ KQLEYSWLRA LMGRYADFWG VTREALAYTL GTLGLEPDES FLADMAQAYN RLTPYPDAAQ CLAELAPLKR AILSNGAPDM LQALVANAGL TDSFDAVISV DAKRVFKPHP DSYALVEEVL GVTPAEVLFV SSNGFDVGGA KNFGFSVARV ARLSQEALAR ELVSGTIAPL TMFKALRMRE ETYAEAPDFV VPALGDLPRL VRGMAGAHLA PAV //