ID 3B12A STANDARD; PRT; 304 AA. DT CONVERTED FROM PDB (SEQRES) 3B12 DE Fluoroacetate dehalogenase OS Burkholderia sp. CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.200 CC R-Factor 0.177 FT #SUB 136 136 PHE A 141 141 ARG B Protein A 3 FT #SUB 139 139 VAL A 140 140 ASP B Protein S 2 FT #SUB 139 139 VAL A 141 141 ARG B Protein S 1 FT #SUB 140 140 ASP A 139 139 VAL B Protein B 2 FT #SUB 141 141 ARG A 136 136 PHE B Protein S 3 FT #SUB 141 141 ARG A 139 139 VAL B Protein B 1 FT #SUB 141 141 ARG A 151 151 TYR B Protein B 1 FT #SUB 141 141 ARG A 216 216 GLY B Protein S 1 FT #SUB 141 141 ARG A 220 220 PHE B Protein S 10 FT #SUB 141 141 ARG A 221 221 GLU B Protein S 1 FT #SUB 144 144 ALA A 151 151 TYR B Protein A 11 FT #SUB 145 145 ARG A 151 151 TYR B Protein A 4 FT #SUB 145 145 ARG A 154 154 GLN B Protein S 6 FT #SUB 145 145 ARG A 155 155 GLN B Protein B 4 FT #SUB 145 145 ARG A 216 216 GLY B Protein S 1 FT #SUB 145 145 ARG A 217 217 THR B Protein S 1 FT #SUB 148 148 TRP A 151 151 TYR B Protein S 1 FT #SUB 148 148 TRP A 152 152 PHE B Protein S 2 FT #SUB 148 148 TRP A 155 155 GLN B Protein S 11 FT #SUB 148 148 TRP A 159 159 TYR B Protein S 4 FT #SUB 151 151 TYR A 141 141 ARG B Protein S 1 FT #SUB 151 151 TYR A 144 144 ALA B Protein S 11 FT #SUB 151 151 TYR A 145 145 ARG B Protein S 4 FT #SUB 151 151 TYR A 148 148 TRP B Protein B 1 FT #SUB 152 152 PHE A 148 148 TRP B Protein S 2 FT #SUB 154 154 GLN A 145 145 ARG B Protein S 5 FT #SUB 155 155 GLN A 145 145 ARG B Protein S 4 FT #SUB 155 155 GLN A 148 148 TRP B Protein S 11 FT #SUB 159 159 TYR A 148 148 TRP B Protein S 5 FT #SUB 159 159 TYR A 170 170 THR B Protein S 2 FT #SUB 159 159 TYR A 171 171 PHE B Protein S 9 FT #SUB 159 159 TYR A 174 174 GLY B Protein S 3 FT #SUB 162 162 LYS A 170 170 THR B Protein S 1 FT #SUB 163 163 VAL A 163 163 VAL B Protein S 1 FT #SUB 166 166 ALA A 166 166 ALA B Protein A 3 FT #SUB 166 166 ALA A 167 167 ASP B Protein S 1 FT #SUB 167 167 ASP A 166 166 ALA B Protein S 1 FT #SUB 170 170 THR A 159 159 TYR B Protein B 2 FT #SUB 170 170 THR A 162 162 LYS B Protein S 1 FT #SUB 171 171 PHE A 159 159 TYR B Protein A 9 FT #SUB 174 174 GLY A 159 159 TYR B Protein B 4 FT #SUB 216 216 GLY A 141 141 ARG B Protein B 1 FT #SUB 216 216 GLY A 145 145 ARG B Protein B 1 FT #SUB 217 217 THR A 145 145 ARG B Protein S 1 FT #SUB 220 220 PHE A 141 141 ARG B Protein S 10 FT #SUB 221 221 GLU A 141 141 ARG B Protein S 1 FT #HET 77 77 TYR A 2 503 MG A B 2 FT #HET 78 78 SER A 2 503 MG A B 2 FT #HET 79 79 PHE A 2 503 MG A A 7 FT #HET 104 104 ALA A 1 501 FAH A A 3 FT #HET 105 105 ARG A 1 501 FAH A S 5 FT #HET 108 108 ARG A 1 501 FAH A S 4 FT #HET 128 128 ASP A 1 501 FAH A B 1 FT #HET 129 129 ILE A 1 501 FAH A S 1 FT #HET 147 147 TYR A 1 501 FAH A S 1 FT #HET 149 149 HIS A 1 501 FAH A S 2 FT #HET 150 150 TRP A 1 501 FAH A S 9 FT #HET 211 211 ASP A 2 503 MG A A 5 FT #HET 212 212 TYR A 1 501 FAH A S 5 FT #HET 214 214 ALA A 2 503 MG A S 1 FT #HET 219 219 ASP A 2 503 MG A S 2 FT #HET 271 271 HIS A 1 501 FAH A S 4 FT DISORDER 295 304 CC SEQUENCE 294 AA (ATOM); CC MFEGFERRLV DVGDVTINCV VGGSGPALLL LHGFPQNLHM WARVAPLLAN EYTVVCADLR CC GYGGSSKPVG APDHANYSFR AMASDQRELM RTLGFERFHL VGHARGGRTG HRMALDHPDS CC VLSLAVLDII PTYVMFEEVD RFVARAYWHW YFLQQPAPYP EKVIGADPDT FYEGCLFGWG CC ATGADGFDPE QLEEYRKQWR DPAAIHGSCC DYRAGGTIDF ELDHGDLGRQ VQCPALVFSG CC SAGLMHSLFE MQVVWAPRLA NMRFASLPGG HFFVDRFPDD TARILREFLS DARS CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MFEGFERRLVDVGDVTINCVVGGSGPALLLLHGFPQNLHMWARVAPLLAN CC ATOM MFEGFERRLVDVGDVTINCVVGGSGPALLLLHGFPQNLHMWARVAPLLAN CC ************************************************** CC SEQRES EYTVVCADLRGYGGSSKPVGAPDHANYSFRAMASDQRELMRTLGFERFHL CC ATOM EYTVVCADLRGYGGSSKPVGAPDHANYSFRAMASDQRELMRTLGFERFHL CC ************************************************** CC SEQRES VGHARGGRTGHRMALDHPDSVLSLAVLDIIPTYVMFEEVDRFVARAYWHW CC ATOM VGHARGGRTGHRMALDHPDSVLSLAVLDIIPTYVMFEEVDRFVARAYWHW CC ************************************************** CC SEQRES YFLQQPAPYPEKVIGADPDTFYEGCLFGWGATGADGFDPEQLEEYRKQWR CC ATOM YFLQQPAPYPEKVIGADPDTFYEGCLFGWGATGADGFDPEQLEEYRKQWR CC ************************************************** CC SEQRES DPAAIHGSCCDYRAGGTIDFELDHGDLGRQVQCPALVFSGSAGLMHSLFE CC ATOM DPAAIHGSCCDYRAGGTIDFELDHGDLGRQVQCPALVFSGSAGLMHSLFE CC ************************************************** CC SEQRES MQVVWAPRLANMRFASLPGGHFFVDRFPDDTARILREFLSDARSGIHQTE CC ATOM MQVVWAPRLANMRFASLPGGHFFVDRFPDDTARILREFLSDARS------ CC ******************************************** CC SEQRES RRES CC ATOM ---- CC SQ SEQUENCE 304 AA; MW; CN; MFEGFERRLV DVGDVTINCV VGGSGPALLL LHGFPQNLHM WARVAPLLAN EYTVVCADLR GYGGSSKPVG APDHANYSFR AMASDQRELM RTLGFERFHL VGHARGGRTG HRMALDHPDS VLSLAVLDII PTYVMFEEVD RFVARAYWHW YFLQQPAPYP EKVIGADPDT FYEGCLFGWG ATGADGFDPE QLEEYRKQWR DPAAIHGSCC DYRAGGTIDF ELDHGDLGRQ VQCPALVFSG SAGLMHSLFE MQVVWAPRLA NMRFASLPGG HFFVDRFPDD TARILREFLS DARSGIHQTE RRES // ID 3B12B STANDARD; PRT; 304 AA. DT CONVERTED FROM PDB (SEQRES) 3B12 DE Fluoroacetate dehalogenase OS Burkholderia sp. CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.200 CC R-Factor 0.177 FT #SUB 136 136 PHE B 141 141 ARG A Protein A 3 FT #SUB 139 139 VAL B 140 140 ASP A Protein S 2 FT #SUB 139 139 VAL B 141 141 ARG A Protein S 1 FT #SUB 140 140 ASP B 139 139 VAL A Protein B 2 FT #SUB 141 141 ARG B 136 136 PHE A Protein S 3 FT #SUB 141 141 ARG B 139 139 VAL A Protein B 1 FT #SUB 141 141 ARG B 151 151 TYR A Protein B 1 FT #SUB 141 141 ARG B 216 216 GLY A Protein S 1 FT #SUB 141 141 ARG B 220 220 PHE A Protein S 10 FT #SUB 141 141 ARG B 221 221 GLU A Protein S 1 FT #SUB 144 144 ALA B 151 151 TYR A Protein A 11 FT #SUB 145 145 ARG B 151 151 TYR A Protein A 4 FT #SUB 145 145 ARG B 154 154 GLN A Protein S 5 FT #SUB 145 145 ARG B 155 155 GLN A Protein B 4 FT #SUB 145 145 ARG B 216 216 GLY A Protein S 1 FT #SUB 145 145 ARG B 217 217 THR A Protein S 1 FT #SUB 148 148 TRP B 151 151 TYR A Protein S 1 FT #SUB 148 148 TRP B 152 152 PHE A Protein S 2 FT #SUB 148 148 TRP B 155 155 GLN A Protein S 11 FT #SUB 148 148 TRP B 159 159 TYR A Protein S 5 FT #SUB 151 151 TYR B 141 141 ARG A Protein S 1 FT #SUB 151 151 TYR B 144 144 ALA A Protein S 11 FT #SUB 151 151 TYR B 145 145 ARG A Protein S 4 FT #SUB 151 151 TYR B 148 148 TRP A Protein B 1 FT #SUB 152 152 PHE B 148 148 TRP A Protein S 2 FT #SUB 154 154 GLN B 145 145 ARG A Protein S 6 FT #SUB 155 155 GLN B 145 145 ARG A Protein S 4 FT #SUB 155 155 GLN B 148 148 TRP A Protein S 11 FT #SUB 159 159 TYR B 148 148 TRP A Protein S 4 FT #SUB 159 159 TYR B 170 170 THR A Protein S 2 FT #SUB 159 159 TYR B 171 171 PHE A Protein S 9 FT #SUB 159 159 TYR B 174 174 GLY A Protein S 4 FT #SUB 162 162 LYS B 170 170 THR A Protein S 1 FT #SUB 163 163 VAL B 163 163 VAL A Protein S 1 FT #SUB 166 166 ALA B 166 166 ALA A Protein A 3 FT #SUB 166 166 ALA B 167 167 ASP A Protein S 1 FT #SUB 167 167 ASP B 166 166 ALA A Protein S 1 FT #SUB 170 170 THR B 159 159 TYR A Protein B 2 FT #SUB 170 170 THR B 162 162 LYS A Protein S 1 FT #SUB 171 171 PHE B 159 159 TYR A Protein A 9 FT #SUB 174 174 GLY B 159 159 TYR A Protein B 3 FT #SUB 216 216 GLY B 141 141 ARG A Protein B 1 FT #SUB 216 216 GLY B 145 145 ARG A Protein B 1 FT #SUB 217 217 THR B 145 145 ARG A Protein S 1 FT #SUB 220 220 PHE B 141 141 ARG A Protein S 10 FT #SUB 221 221 GLU B 141 141 ARG A Protein S 1 FT #HET 77 77 TYR B 5 503 MG B B 2 FT #HET 78 78 SER B 5 503 MG B B 2 FT #HET 79 79 PHE B 5 503 MG B A 7 FT #HET 104 104 ALA B 3 501 FAH B A 3 FT #HET 105 105 ARG B 3 501 FAH B S 5 FT #HET 108 108 ARG B 3 501 FAH B S 4 FT #HET 111 111 HIS B 4 502 FAH B S 3 FT #HET 128 128 ASP B 3 501 FAH B B 1 FT #HET 129 129 ILE B 3 501 FAH B S 1 FT #HET 133 133 TYR B 4 502 FAH B S 1 FT #HET 147 147 TYR B 3 501 FAH B S 1 FT #HET 149 149 HIS B 3 501 FAH B S 2 FT #HET 150 150 TRP B 3 501 FAH B S 8 FT #HET 211 211 ASP B 5 503 MG B A 4 FT #HET 212 212 TYR B 3 501 FAH B S 5 FT #HET 214 214 ALA B 5 503 MG B S 1 FT #HET 219 219 ASP B 5 503 MG B S 3 FT #HET 223 223 ASP B 4 502 FAH B A 11 FT #HET 227 227 LEU B 4 502 FAH B A 3 FT #HET 258 258 ARG B 4 502 FAH B S 10 FT #HET 271 271 HIS B 3 501 FAH B S 4 FT DISORDER 295 304 CC SEQUENCE 294 AA (ATOM); CC MFEGFERRLV DVGDVTINCV VGGSGPALLL LHGFPQNLHM WARVAPLLAN EYTVVCADLR CC GYGGSSKPVG APDHANYSFR AMASDQRELM RTLGFERFHL VGHARGGRTG HRMALDHPDS CC VLSLAVLDII PTYVMFEEVD RFVARAYWHW YFLQQPAPYP EKVIGADPDT FYEGCLFGWG CC ATGADGFDPE QLEEYRKQWR DPAAIHGSCC DYRAGGTIDF ELDHGDLGRQ VQCPALVFSG CC SAGLMHSLFE MQVVWAPRLA NMRFASLPGG HFFVDRFPDD TARILREFLS DARS CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MFEGFERRLVDVGDVTINCVVGGSGPALLLLHGFPQNLHMWARVAPLLAN CC ATOM MFEGFERRLVDVGDVTINCVVGGSGPALLLLHGFPQNLHMWARVAPLLAN CC ************************************************** CC SEQRES EYTVVCADLRGYGGSSKPVGAPDHANYSFRAMASDQRELMRTLGFERFHL CC ATOM EYTVVCADLRGYGGSSKPVGAPDHANYSFRAMASDQRELMRTLGFERFHL CC ************************************************** CC SEQRES VGHARGGRTGHRMALDHPDSVLSLAVLDIIPTYVMFEEVDRFVARAYWHW CC ATOM VGHARGGRTGHRMALDHPDSVLSLAVLDIIPTYVMFEEVDRFVARAYWHW CC ************************************************** CC SEQRES YFLQQPAPYPEKVIGADPDTFYEGCLFGWGATGADGFDPEQLEEYRKQWR CC ATOM YFLQQPAPYPEKVIGADPDTFYEGCLFGWGATGADGFDPEQLEEYRKQWR CC ************************************************** CC SEQRES DPAAIHGSCCDYRAGGTIDFELDHGDLGRQVQCPALVFSGSAGLMHSLFE CC ATOM DPAAIHGSCCDYRAGGTIDFELDHGDLGRQVQCPALVFSGSAGLMHSLFE CC ************************************************** CC SEQRES MQVVWAPRLANMRFASLPGGHFFVDRFPDDTARILREFLSDARSGIHQTE CC ATOM MQVVWAPRLANMRFASLPGGHFFVDRFPDDTARILREFLSDARS------ CC ******************************************** CC SEQRES RRES CC ATOM ---- CC SQ SEQUENCE 304 AA; MW; CN; MFEGFERRLV DVGDVTINCV VGGSGPALLL LHGFPQNLHM WARVAPLLAN EYTVVCADLR GYGGSSKPVG APDHANYSFR AMASDQRELM RTLGFERFHL VGHARGGRTG HRMALDHPDS VLSLAVLDII PTYVMFEEVD RFVARAYWHW YFLQQPAPYP EKVIGADPDT FYEGCLFGWG ATGADGFDPE QLEEYRKQWR DPAAIHGSCC DYRAGGTIDF ELDHGDLGRQ VQCPALVFSG SAGLMHSLFE MQVVWAPRLA NMRFASLPGG HFFVDRFPDD TARILREFLS DARSGIHQTE RRES //