ID 2NO5A STANDARD; PRT; 240 AA. DT CONVERTED FROM PDB (SEQRES) 2NO5 DE (S)-2-haloacid dehalogenase IVA OS Burkholderia cepacia CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.600 CC R-Factor 0.199 FT #SUB 52 43 GLN A 52 43 GLN B Protein S 3 FT #SUB 53 44 ARG A 212 203 GLU B Protein S 7 FT #SUB 56 47 GLU A 59 50 TRP B Protein S 4 FT #SUB 56 47 GLU A 189 180 TRP B Protein S 3 FT #SUB 56 47 GLU A 213 204 TYR B Protein S 3 FT #SUB 57 48 TYR A 212 203 GLU B Protein S 5 FT #SUB 57 48 TYR A 213 204 TYR B Protein S 3 FT #SUB 59 50 TRP A 56 47 GLU B Protein S 4 FT #SUB 59 50 TRP A 59 50 TRP B Protein S 2 FT #SUB 59 50 TRP A 60 51 THR B Protein S 3 FT #SUB 59 50 TRP A 63 54 LEU B Protein A 3 FT #SUB 60 51 THR A 59 50 TRP B Protein S 6 FT #SUB 60 51 THR A 162 153 PRO B Protein A 2 FT #SUB 60 51 THR A 213 204 TYR B Protein S 4 FT #SUB 61 52 ARG A 215 206 PHE B Protein S 7 FT #SUB 62 53 THR A 63 54 LEU B Protein S 2 FT #SUB 63 54 LEU A 59 50 TRP B Protein S 5 FT #SUB 63 54 LEU A 62 53 THR B Protein S 1 FT #SUB 63 54 LEU A 63 54 LEU B Protein S 4 FT #SUB 63 54 LEU A 162 153 PRO B Protein A 2 FT #SUB 63 54 LEU A 163 154 ASP B Protein B 2 FT #SUB 63 54 LEU A 164 155 PRO B Protein B 1 FT #SUB 64 55 MET A 162 153 PRO B Protein A 4 FT #SUB 64 55 MET A 189 180 TRP B Protein S 1 FT #SUB 64 55 MET A 192 183 GLY B Protein S 1 FT #SUB 64 55 MET A 193 184 GLY B Protein S 4 FT #SUB 64 55 MET A 196 187 LYS B Protein B 2 FT #SUB 64 55 MET A 215 206 PHE B Protein S 2 FT #SUB 65 56 HIS A 164 155 PRO B Protein S 4 FT #SUB 65 56 HIS A 196 187 LYS B Protein B 2 FT #SUB 66 57 GLN A 196 187 LYS B Protein S 4 FT #SUB 66 57 GLN A 215 206 PHE B Protein S 11 FT #SUB 80 71 PHE A 210 201 PRO B Protein A 6 FT #SUB 80 71 PHE A 212 203 GLU B Protein S 11 FT #SUB 83 74 ARG A 210 201 PRO B Protein S 3 FT #SUB 84 75 THR A 210 201 PRO B Protein A 3 FT #SUB 162 153 PRO A 63 54 LEU B Protein A 3 FT #SUB 162 153 PRO A 64 55 MET B Protein A 3 FT #SUB 163 154 ASP A 63 54 LEU B Protein B 1 FT #SUB 164 155 PRO A 63 54 LEU B Protein S 1 FT #SUB 164 155 PRO A 65 56 HIS B Protein S 4 FT #SUB 189 180 TRP A 56 47 GLU B Protein S 2 FT #SUB 189 180 TRP A 60 51 THR B Protein S 1 FT #SUB 189 180 TRP A 64 55 MET B Protein B 1 FT #SUB 192 183 GLY A 64 55 MET B Protein B 2 FT #SUB 193 184 GLY A 64 55 MET B Protein B 3 FT #SUB 196 187 LYS A 64 55 MET B Protein S 2 FT #SUB 196 187 LYS A 65 56 HIS B Protein S 2 FT #SUB 196 187 LYS A 66 57 GLN B Protein S 4 FT #SUB 210 201 PRO A 80 71 PHE B Protein A 4 FT #SUB 210 201 PRO A 83 74 ARG B Protein S 2 FT #SUB 210 201 PRO A 84 75 THR B Protein S 2 FT #SUB 211 202 PRO A 80 71 PHE B Protein B 1 FT #SUB 211 202 PRO A 83 74 ARG B Protein S 1 FT #SUB 212 203 GLU A 53 44 ARG B Protein S 7 FT #SUB 212 203 GLU A 57 48 TYR B Protein S 5 FT #SUB 212 203 GLU A 80 71 PHE B Protein S 10 FT #SUB 213 204 TYR A 56 47 GLU B Protein S 5 FT #SUB 213 204 TYR A 57 48 TYR B Protein S 5 FT #SUB 213 204 TYR A 60 51 THR B Protein S 4 FT #SUB 215 206 PHE A 61 52 ARG B Protein S 4 FT #SUB 215 206 PHE A 64 55 MET B Protein S 2 FT #SUB 215 206 PHE A 66 57 GLN B Protein S 7 FT #HET 29 20 HIS A 7 1011 SO4 A S 7 FT #HET 51 42 ARG A 8 1015 CNR A S 1 FT #HET 52 43 GLN A 15 1013 SO4 B S 2 FT #HET 53 44 ARG A 15 1013 SO4 B S 3 FT #HET 53 44 ARG A 17 1016 CNR B S 5 FT #HET 55 46 LEU A 8 1015 CNR A S 1 FT #HET 56 47 GLU A 17 1016 CNR B S 4 FT #HET 61 52 ARG A 2 1001 SO4 A S 8 FT #HET 65 56 HIS A 1 232 CL A S 1 FT #HET 66 57 GLN A 2 1001 SO4 A S 4 FT #HET 72 63 GLN A 2 1001 SO4 A S 5 FT #HET 83 74 ARG A 3 1002 SO4 A S 5 FT #HET 83 74 ARG A 5 1007 SO4 A S 9 FT #HET 90 81 ARG A 5 1007 SO4 A S 10 FT #HET 107 98 TYR A 4 1006 SO4 A A 3 FT #HET 107 98 TYR A 7 1011 SO4 A S 6 FT #HET 108 99 PRO A 4 1006 SO4 A A 3 FT #HET 109 100 ASP A 4 1006 SO4 A A 8 FT #HET 187 178 ASN A 8 1015 CNR A A 7 FT #HET 188 179 ALA A 8 1015 CNR A B 1 FT #HET 189 180 TRP A 8 1015 CNR A S 6 FT #HET 206 197 ARG A 4 1006 SO4 A S 7 FT #HET 206 197 ARG A 7 1011 SO4 A S 4 FT #HET 207 198 GLN A 7 1011 SO4 A S 5 FT #HET 214 205 GLU A 6 1008 SO4 A S 8 FT #HET 215 206 PHE A 11 1005 SO4 B S 4 FT #HET 224 215 SER A 4 1006 SO4 A A 5 FT #HET 225 216 LEU A 4 1006 SO4 A A 10 FT #HET 226 217 SER A 4 1006 SO4 A B 1 FT DISORDER 1 9 FT DISORDER 235 240 CC SEQUENCE 225 AA (ATOM); CC LVDSLRACVF XAYGTLLDVH SAVMRNADEV GASAEALSML WRQRQLEYSW TRTLMHQYAD CC FWQLTDEALT FALRTYHLED RKGLKDRLMS AYKELSAYPD AAETLEKLKS AGYIVAILSN CC GNDEMLQAAL KASKLDRVLD SCLSADDLKI YKPDPRIYQF ACDRLGVNPN EVCFVSSNAW CC DLGGAGKFGF NTVRINRQGN PPEYEFAPLK HQVNSLSELW PLLAK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDYKDDDDKLVDSLRACVFXAYGTLLDVHSAVMRNADEVGASAEALSMLW CC ATOM ---------LVDSLRACVFXAYGTLLDVHSAVMRNADEVGASAEALSMLW CC ***************************************** CC SEQRES RQRQLEYSWTRTLMHQYADFWQLTDEALTFALRTYHLEDRKGLKDRLMSA CC ATOM RQRQLEYSWTRTLMHQYADFWQLTDEALTFALRTYHLEDRKGLKDRLMSA CC ************************************************** CC SEQRES YKELSAYPDAAETLEKLKSAGYIVAILSNGNDEMLQAALKASKLDRVLDS CC ATOM YKELSAYPDAAETLEKLKSAGYIVAILSNGNDEMLQAALKASKLDRVLDS CC ************************************************** CC SEQRES CLSADDLKIYKPDPRIYQFACDRLGVNPNEVCFVSSNAWDLGGAGKFGFN CC ATOM CLSADDLKIYKPDPRIYQFACDRLGVNPNEVCFVSSNAWDLGGAGKFGFN CC ************************************************** CC SEQRES TVRINRQGNPPEYEFAPLKHQVNSLSELWPLLAKNVTKAA CC ATOM TVRINRQGNPPEYEFAPLKHQVNSLSELWPLLAK------ CC ********************************** SQ SEQUENCE 240 AA; MW; CN; MDYKDDDDKL VDSLRACVFX AYGTLLDVHS AVMRNADEVG ASAEALSMLW RQRQLEYSWT RTLMHQYADF WQLTDEALTF ALRTYHLEDR KGLKDRLMSA YKELSAYPDA AETLEKLKSA GYIVAILSNG NDEMLQAALK ASKLDRVLDS CLSADDLKIY KPDPRIYQFA CDRLGVNPNE VCFVSSNAWD LGGAGKFGFN TVRINRQGNP PEYEFAPLKH QVNSLSELWP LLAKNVTKAA // ID 2NO5B STANDARD; PRT; 240 AA. DT CONVERTED FROM PDB (SEQRES) 2NO5 DE (S)-2-haloacid dehalogenase IVA OS Burkholderia cepacia CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.600 CC R-Factor 0.199 FT #SUB 52 43 GLN B 52 43 GLN A Protein S 3 FT #SUB 53 44 ARG B 212 203 GLU A Protein S 7 FT #SUB 56 47 GLU B 59 50 TRP A Protein S 4 FT #SUB 56 47 GLU B 189 180 TRP A Protein S 2 FT #SUB 56 47 GLU B 213 204 TYR A Protein S 5 FT #SUB 57 48 TYR B 212 203 GLU A Protein S 5 FT #SUB 57 48 TYR B 213 204 TYR A Protein S 5 FT #SUB 59 50 TRP B 56 47 GLU A Protein S 4 FT #SUB 59 50 TRP B 59 50 TRP A Protein S 2 FT #SUB 59 50 TRP B 60 51 THR A Protein S 6 FT #SUB 59 50 TRP B 63 54 LEU A Protein A 5 FT #SUB 60 51 THR B 59 50 TRP A Protein S 3 FT #SUB 60 51 THR B 189 180 TRP A Protein S 1 FT #SUB 60 51 THR B 213 204 TYR A Protein S 4 FT #SUB 61 52 ARG B 215 206 PHE A Protein S 4 FT #SUB 62 53 THR B 63 54 LEU A Protein S 1 FT #SUB 63 54 LEU B 59 50 TRP A Protein S 3 FT #SUB 63 54 LEU B 62 53 THR A Protein S 2 FT #SUB 63 54 LEU B 63 54 LEU A Protein S 4 FT #SUB 63 54 LEU B 162 153 PRO A Protein A 3 FT #SUB 63 54 LEU B 163 154 ASP A Protein B 1 FT #SUB 63 54 LEU B 164 155 PRO A Protein B 1 FT #SUB 64 55 MET B 162 153 PRO A Protein A 3 FT #SUB 64 55 MET B 189 180 TRP A Protein S 1 FT #SUB 64 55 MET B 192 183 GLY A Protein S 2 FT #SUB 64 55 MET B 193 184 GLY A Protein S 3 FT #SUB 64 55 MET B 196 187 LYS A Protein B 2 FT #SUB 64 55 MET B 215 206 PHE A Protein S 2 FT #SUB 65 56 HIS B 164 155 PRO A Protein S 4 FT #SUB 65 56 HIS B 196 187 LYS A Protein B 2 FT #SUB 66 57 GLN B 196 187 LYS A Protein S 4 FT #SUB 66 57 GLN B 215 206 PHE A Protein S 7 FT #SUB 80 71 PHE B 210 201 PRO A Protein S 4 FT #SUB 80 71 PHE B 211 202 PRO A Protein S 1 FT #SUB 80 71 PHE B 212 203 GLU A Protein S 10 FT #SUB 83 74 ARG B 210 201 PRO A Protein S 2 FT #SUB 83 74 ARG B 211 202 PRO A Protein S 1 FT #SUB 84 75 THR B 210 201 PRO A Protein A 2 FT #SUB 162 153 PRO B 60 51 THR A Protein S 2 FT #SUB 162 153 PRO B 63 54 LEU A Protein A 2 FT #SUB 162 153 PRO B 64 55 MET A Protein A 4 FT #SUB 163 154 ASP B 63 54 LEU A Protein A 2 FT #SUB 164 155 PRO B 63 54 LEU A Protein S 1 FT #SUB 164 155 PRO B 65 56 HIS A Protein S 4 FT #SUB 189 180 TRP B 56 47 GLU A Protein S 3 FT #SUB 189 180 TRP B 64 55 MET A Protein B 1 FT #SUB 192 183 GLY B 64 55 MET A Protein B 1 FT #SUB 193 184 GLY B 64 55 MET A Protein B 4 FT #SUB 196 187 LYS B 64 55 MET A Protein S 2 FT #SUB 196 187 LYS B 65 56 HIS A Protein S 2 FT #SUB 196 187 LYS B 66 57 GLN A Protein S 4 FT #SUB 210 201 PRO B 80 71 PHE A Protein A 6 FT #SUB 210 201 PRO B 83 74 ARG A Protein S 3 FT #SUB 210 201 PRO B 84 75 THR A Protein S 3 FT #SUB 212 203 GLU B 53 44 ARG A Protein S 7 FT #SUB 212 203 GLU B 57 48 TYR A Protein S 5 FT #SUB 212 203 GLU B 80 71 PHE A Protein S 11 FT #SUB 213 204 TYR B 56 47 GLU A Protein S 3 FT #SUB 213 204 TYR B 57 48 TYR A Protein S 3 FT #SUB 213 204 TYR B 60 51 THR A Protein S 4 FT #SUB 215 206 PHE B 61 52 ARG A Protein S 7 FT #SUB 215 206 PHE B 64 55 MET A Protein S 2 FT #SUB 215 206 PHE B 66 57 GLN A Protein S 11 FT #HET 29 20 HIS B 14 1012 SO4 B S 4 FT #HET 29 20 HIS B 16 1014 CNR B S 6 FT #HET 44 35 GLU B 16 1014 CNR B A 7 FT #HET 47 38 SER B 16 1014 CNR B A 5 FT #HET 48 39 MET B 15 1013 SO4 B A 2 FT #HET 48 39 MET B 16 1014 CNR B A 4 FT #HET 53 44 ARG B 8 1015 CNR A S 3 FT #HET 55 46 LEU B 17 1016 CNR B S 1 FT #HET 56 47 GLU B 8 1015 CNR A S 1 FT #HET 61 52 ARG B 11 1005 SO4 B S 8 FT #HET 66 57 GLN B 11 1005 SO4 B S 5 FT #HET 72 63 GLN B 11 1005 SO4 B S 5 FT #HET 76 67 GLU B 11 1005 SO4 B S 1 FT #HET 83 74 ARG B 6 1008 SO4 A S 7 FT #HET 83 74 ARG B 10 1004 SO4 B S 10 FT #HET 90 81 ARG B 10 1004 SO4 B S 9 FT #HET 107 98 TYR B 12 1009 SO4 B A 5 FT #HET 107 98 TYR B 14 1012 SO4 B S 6 FT #HET 108 99 PRO B 12 1009 SO4 B A 5 FT #HET 109 100 ASP B 12 1009 SO4 B A 10 FT #HET 112 103 GLU B 13 1010 SO4 B S 5 FT #HET 116 107 LYS B 13 1010 SO4 B S 2 FT #HET 131 122 ASN B 9 1003 SO4 B A 6 FT #HET 132 123 ASP B 9 1003 SO4 B B 3 FT #HET 133 124 GLU B 9 1003 SO4 B A 6 FT #HET 155 146 ASP B 9 1003 SO4 B S 1 FT #HET 186 177 SER B 17 1016 CNR B B 1 FT #HET 187 178 ASN B 17 1016 CNR B A 5 FT #HET 188 179 ALA B 17 1016 CNR B A 3 FT #HET 189 180 TRP B 17 1016 CNR B A 7 FT #HET 206 197 ARG B 12 1009 SO4 B S 6 FT #HET 206 197 ARG B 14 1012 SO4 B S 8 FT #HET 207 198 GLN B 14 1012 SO4 B S 1 FT #HET 212 203 GLU B 17 1016 CNR B S 1 FT #HET 214 205 GLU B 3 1002 SO4 A S 5 FT #HET 215 206 PHE B 2 1001 SO4 A S 3 FT #HET 224 215 SER B 12 1009 SO4 B A 4 FT #HET 225 216 LEU B 12 1009 SO4 B A 7 FT DISORDER 1 9 FT DISORDER 236 240 CC SEQUENCE 226 AA (ATOM); CC LVDSLRACVF XAYGTLLDVH SAVMRNADEV GASAEALSML WRQRQLEYSW TRTLMHQYAD CC FWQLTDEALT FALRTYHLED RKGLKDRLMS AYKELSAYPD AAETLEKLKS AGYIVAILSN CC GNDEMLQAAL KASKLDRVLD SCLSADDLKI YKPDPRIYQF ACDRLGVNPN EVCFVSSNAW CC DLGGAGKFGF NTVRINRQGN PPEYEFAPLK HQVNSLSELW PLLAKN CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDYKDDDDKLVDSLRACVFXAYGTLLDVHSAVMRNADEVGASAEALSMLW CC ATOM ---------LVDSLRACVFXAYGTLLDVHSAVMRNADEVGASAEALSMLW CC ***************************************** CC SEQRES RQRQLEYSWTRTLMHQYADFWQLTDEALTFALRTYHLEDRKGLKDRLMSA CC ATOM RQRQLEYSWTRTLMHQYADFWQLTDEALTFALRTYHLEDRKGLKDRLMSA CC ************************************************** CC SEQRES YKELSAYPDAAETLEKLKSAGYIVAILSNGNDEMLQAALKASKLDRVLDS CC ATOM YKELSAYPDAAETLEKLKSAGYIVAILSNGNDEMLQAALKASKLDRVLDS CC ************************************************** CC SEQRES CLSADDLKIYKPDPRIYQFACDRLGVNPNEVCFVSSNAWDLGGAGKFGFN CC ATOM CLSADDLKIYKPDPRIYQFACDRLGVNPNEVCFVSSNAWDLGGAGKFGFN CC ************************************************** CC SEQRES TVRINRQGNPPEYEFAPLKHQVNSLSELWPLLAKNVTKAA CC ATOM TVRINRQGNPPEYEFAPLKHQVNSLSELWPLLAKN----- CC *********************************** SQ SEQUENCE 240 AA; MW; CN; MDYKDDDDKL VDSLRACVFX AYGTLLDVHS AVMRNADEVG ASAEALSMLW RQRQLEYSWT RTLMHQYADF WQLTDEALTF ALRTYHLEDR KGLKDRLMSA YKELSAYPDA AETLEKLKSA GYIVAILSNG NDEMLQAALK ASKLDRVLDS CLSADDLKIY KPDPRIYQFA CDRLGVNPNE VCFVSSNAWD LGGAGKFGFN TVRINRQGNP PEYEFAPLKH QVNSLSELWP LLAKNVTKAA //