ID 1AHJA STANDARD; PRT; 207 AA. DT CONVERTED FROM PDB (SEQRES) 1AHJ DE NITRILE HYDRATASE (SUBUNIT ALPHA) OS Rhodococcus sp. R312 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.650 CC R-Factor 0.264 FT #SUB 11 11 ASN A 65 65 ARG B Protein S 6 FT #SUB 13 13 ALA A 69 69 MET B Protein S 2 FT #SUB 14 14 PRO A 66 66 HIS B Protein S 2 FT #SUB 14 14 PRO A 69 69 MET B Protein S 1 FT #SUB 15 15 ALA A 102 102 PRO B Protein B 2 FT #SUB 15 15 ALA A 104 104 PRO B Protein B 2 FT #SUB 16 16 GLN A 66 66 HIS B Protein S 4 FT #SUB 16 16 GLN A 74 74 GLU B Protein S 1 FT #SUB 16 16 GLN A 102 102 PRO B Protein B 2 FT #SUB 16 16 GLN A 104 104 PRO B Protein S 4 FT #SUB 17 17 ALA A 101 101 GLY B Protein S 1 FT #SUB 17 17 ALA A 102 102 PRO B Protein A 2 FT #SUB 19 19 VAL A 32 32 TRP B Protein S 4 FT #SUB 19 19 VAL A 74 74 GLU B Protein S 4 FT #SUB 20 20 SER A 31 31 GLU B Protein S 1 FT #SUB 21 21 ASP A 99 99 ALA B Protein A 4 FT #SUB 22 22 ARG A 74 74 GLU B Protein S 5 FT #SUB 22 22 ARG A 78 78 ILE B Protein S 2 FT #SUB 22 22 ARG A 102 102 PRO B Protein S 1 FT #SUB 22 22 ARG A 103 103 PHE B Protein A 9 FT #SUB 23 23 ALA A 32 32 TRP B Protein S 2 FT #SUB 23 23 ALA A 35 35 LEU B Protein A 3 FT #SUB 24 24 TRP A 31 31 GLU B Protein S 4 FT #SUB 24 24 TRP A 35 35 LEU B Protein S 5 FT #SUB 25 25 ALA A 95 95 LEU B Protein A 2 FT #SUB 25 25 ALA A 98 98 LEU B Protein A 3 FT #SUB 25 25 ALA A 99 99 ALA B Protein S 3 FT #SUB 26 26 LEU A 77 77 VAL B Protein S 1 FT #SUB 26 26 LEU A 81 81 ALA B Protein S 3 FT #SUB 29 29 ALA A 90 90 LEU B Protein S 1 FT #SUB 29 29 ALA A 98 98 LEU B Protein A 2 FT #SUB 30 30 LEU A 39 39 LEU B Protein S 1 FT #SUB 30 30 LEU A 84 84 MET B Protein S 2 FT #SUB 33 33 LYS A 90 90 LEU B Protein S 1 FT #SUB 33 33 LYS A 94 94 GLU B Protein S 5 FT #SUB 35 35 LEU A 47 47 LEU B Protein A 2 FT #SUB 35 35 LEU A 89 89 ILE B Protein S 1 FT #SUB 37 37 PRO A 46 46 GLU B Protein S 2 FT #SUB 40 40 TYR A 38 38 SER B Protein S 1 FT #SUB 40 40 TYR A 41 41 PHE B Protein S 3 FT #SUB 40 40 TYR A 42 42 ALA B Protein S 5 FT #SUB 40 40 TYR A 46 46 GLU B Protein S 3 FT #SUB 41 41 VAL A 34 34 HIS B Protein S 2 FT #SUB 41 41 VAL A 35 35 LEU B Protein S 1 FT #SUB 41 41 VAL A 38 38 SER B Protein B 1 FT #SUB 44 44 TRP A 38 38 SER B Protein S 1 FT #SUB 44 44 TRP A 41 41 PHE B Protein S 4 FT #SUB 45 45 LYS A 28 28 PHE B Protein S 1 FT #SUB 45 45 LYS A 34 34 HIS B Protein S 2 FT #SUB 48 48 PHE A 28 28 PHE B Protein S 1 FT #SUB 48 48 PHE A 37 37 TYR B Protein S 2 FT #SUB 49 49 GLU A 28 28 PHE B Protein S 2 FT #SUB 94 94 TYR A 155 155 HIS B Protein S 4 FT #SUB 94 94 TYR A 157 157 THR B Protein S 7 FT #SUB 94 94 TYR A 158 158 THR B Protein S 4 FT #SUB 94 94 TYR A 159 159 GLU B Protein S 1 FT #SUB 94 94 TYR A 161 161 TRP B Protein S 5 FT #SUB 111 111 SER A 5 5 HIS B Protein B 1 FT #SUB 111 111 SER A 8 8 ALA B Protein S 2 FT #SUB 112 112 LEU A 5 5 HIS B Protein A 2 FT #SUB 112 112 LEU A 6 6 ASP B Protein S 3 FT #SUB 112 112 LEU A 141 141 ARG B Protein S 5 FT #SUB 112 112 LEU A 143 143 PRO B Protein S 1 FT #SUB 113 113 CYS A 56 56 ARG B Protein S 1 FT #SUB 113 113 CYS A 141 141 ARG B Protein S 1 FT #SUB 114 114 SER A 72 72 TYR B Protein S 5 FT #SUB 115 115 CYS A 56 56 ARG B Protein S 1 FT #SUB 115 115 CYS A 141 141 ARG B Protein S 1 FT #SUB 118 118 TRP A 37 37 TYR B Protein S 6 FT #SUB 118 118 TRP A 41 41 PHE B Protein S 2 FT #SUB 123 123 LEU A 27 27 THR B Protein S 1 FT #SUB 123 123 LEU A 28 28 PHE B Protein S 1 FT #SUB 123 123 LEU A 37 37 TYR B Protein S 1 FT #SUB 125 125 PRO A 24 24 ILE B Protein S 2 FT #SUB 127 127 TRP A 16 16 VAL B Protein A 2 FT #SUB 127 127 TRP A 17 17 PRO B Protein S 1 FT #SUB 127 127 TRP A 18 18 HIS B Protein S 19 FT #SUB 129 129 LYS A 72 72 TYR B Protein S 7 FT #SUB 131 131 PHE A 7 7 LEU B Protein A 4 FT #SUB 131 131 PHE A 13 13 PHE B Protein S 2 FT #SUB 131 131 PHE A 67 67 TYR B Protein S 4 FT #SUB 131 131 PHE A 68 68 MET B Protein S 3 FT #SUB 131 131 PHE A 75 75 ARG B Protein S 1 FT #SUB 132 132 GLU A 13 13 PHE B Protein S 1 FT #SUB 132 132 GLU A 14 14 GLY B Protein S 1 FT #SUB 132 132 GLU A 15 15 LYS B Protein S 1 FT #SUB 132 132 GLU A 17 17 PRO B Protein S 1 FT #SUB 133 133 TYR A 16 16 VAL B Protein A 3 FT #SUB 134 134 ARG A 5 5 HIS B Protein S 3 FT #SUB 134 134 ARG A 7 7 LEU B Protein S 3 FT #SUB 134 134 ARG A 8 8 ALA B Protein B 2 FT #SUB 134 134 ARG A 67 67 TYR B Protein S 3 FT #SUB 134 134 ARG A 75 75 ARG B Protein S 1 FT #SUB 135 135 ALA A 7 7 LEU B Protein A 5 FT #SUB 135 135 ALA A 8 8 ALA B Protein B 1 FT #SUB 135 135 ALA A 9 9 GLY B Protein B 1 FT #SUB 135 135 ALA A 10 10 VAL B Protein S 1 FT #SUB 135 135 ALA A 13 13 PHE B Protein S 2 FT #SUB 136 136 ARG A 13 13 PHE B Protein S 1 FT #SUB 136 136 ARG A 14 14 GLY B Protein S 5 FT #SUB 136 136 ARG A 15 15 LYS B Protein S 2 FT #SUB 136 136 ARG A 16 16 VAL B Protein S 1 FT #SUB 138 138 VAL A 8 8 ALA B Protein S 1 FT #SUB 138 138 VAL A 145 145 TYR B Protein S 2 FT #SUB 138 138 VAL A 190 190 PHE B Protein A 3 FT #SUB 138 138 VAL A 199 199 VAL B Protein B 1 FT #SUB 139 139 ARG A 9 9 GLY B Protein S 3 FT #SUB 139 139 ARG A 11 11 GLN B Protein S 8 FT #SUB 139 139 ARG A 190 190 PHE B Protein A 8 FT #SUB 139 139 ARG A 193 193 ASP B Protein S 7 FT #SUB 139 139 ARG A 194 194 THR B Protein B 3 FT #SUB 139 139 ARG A 195 195 ASP B Protein B 1 FT #SUB 140 140 GLU A 195 195 ASP B Protein A 2 FT #SUB 141 141 PRO A 195 195 ASP B Protein S 1 FT #SUB 142 142 ARG A 195 195 ASP B Protein A 9 FT #SUB 143 143 LYS A 195 195 ASP B Protein A 4 FT #SUB 144 144 VAL A 16 16 VAL B Protein S 1 FT #SUB 147 147 GLU A 15 15 LYS B Protein S 2 FT #SUB 148 148 MET A 16 16 VAL B Protein S 1 FT #SUB 148 148 MET A 18 18 HIS B Protein A 3 FT #SUB 148 148 MET A 19 19 THR B Protein B 4 FT #SUB 148 148 MET A 20 20 VAL B Protein B 5 FT #SUB 150 150 THR A 20 20 VAL B Protein S 1 FT #SUB 157 157 GLU A 198 198 SER B Protein S 2 FT #SUB 158 158 ILE A 197 197 GLY B Protein B 3 FT #SUB 158 158 ILE A 198 198 SER B Protein B 2 FT #SUB 159 159 ARG A 183 183 LYS B Protein S 3 FT #SUB 159 159 ARG A 198 198 SER B Protein A 7 FT #SUB 159 159 ARG A 200 200 VAL B Protein S 1 FT #SUB 160 160 VAL A 198 198 SER B Protein B 2 FT #SUB 160 160 VAL A 199 199 VAL B Protein B 3 FT #SUB 160 160 VAL A 200 200 VAL B Protein B 3 FT #SUB 161 161 TYR A 200 200 VAL B Protein A 8 FT #SUB 162 162 ASP A 143 143 PRO B Protein S 1 FT #SUB 162 162 ASP A 145 145 TYR B Protein S 3 FT #SUB 162 162 ASP A 200 200 VAL B Protein B 3 FT #SUB 162 162 ASP A 202 202 ASP B Protein B 1 FT #SUB 164 164 THR A 141 141 ARG B Protein A 9 FT #SUB 164 164 THR A 143 143 PRO B Protein S 2 FT #SUB 164 164 THR A 201 201 VAL B Protein S 1 FT #SUB 164 164 THR A 202 202 ASP B Protein S 6 FT #SUB 165 165 ALA A 179 179 THR B Protein S 1 FT #SUB 165 165 ALA A 202 202 ASP B Protein A 7 FT #SUB 165 165 ALA A 204 204 PHE B Protein S 1 FT #SUB 166 166 GLU A 161 161 TRP B Protein S 7 FT #SUB 167 167 THR A 157 157 THR B Protein S 1 FT #SUB 167 167 THR A 181 181 HIS B Protein S 4 FT #SUB 167 167 THR A 202 202 ASP B Protein A 5 FT #SUB 168 168 ARG A 56 56 ARG B Protein S 1 FT #SUB 169 169 TYR A 181 181 HIS B Protein S 7 FT #SUB 192 192 THR A 21 21 ASP B Protein S 2 FT #SUB 194 194 ASP A 18 18 HIS B Protein S 4 FT #SUB 194 194 ASP A 20 20 VAL B Protein S 2 FT #SUB 194 194 ASP A 21 21 ASP B Protein S 5 FT #SUB 199 199 VAL A 20 20 VAL B Protein A 2 FT #SUB 200 200 ALA A 20 20 VAL B Protein S 2 FT #SUB 200 200 ALA A 21 21 ASP B Protein S 1 FT #SUB 206 206 THR A 203 203 GLN C Protein B 1 FT #SUB 207 207 VAL A 203 203 GLN C Protein A 2 FT #HET 110 110 CYS A 1 208 FE A S 2 FT #HET 113 113 CYS A 1 208 FE A A 4 FT #HET 114 114 SER A 1 208 FE A A 6 FT #HET 115 115 CYS A 1 208 FE A A 4 FT DISORDER 1 9 CC SEQUENCE 198 AA (ATOM); CC ENAAPAQAAV SDRAWALFRA LDGKGLVPDG YVEGWKKTFE EDFSPRRGAE LVARAWTDPE CC FRQLLLTDGT AAVAQYGYLG PQGEYIVAVE DTPTLKNVIV CSLCSCTAWP ILGLPPTWYK CC SFEYRARVVR EPRKVLSEMG TEIASDIEIR VYDTTAETRY MVLPQRPAGT EGWSQEQLQE CC IVTKDCLIGV AIPQVPTV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSVTIDHTTENAAPAQAAVSDRAWALFRALDGKGLVPDGYVEGWKKTFEE CC ATOM ---------ENAAPAQAAVSDRAWALFRALDGKGLVPDGYVEGWKKTFEE CC ***************************************** CC SEQRES DFSPRRGAELVARAWTDPEFRQLLLTDGTAAVAQYGYLGPQGEYIVAVED CC ATOM DFSPRRGAELVARAWTDPEFRQLLLTDGTAAVAQYGYLGPQGEYIVAVED CC ************************************************** CC SEQRES TPTLKNVIVCSLCSCTAWPILGLPPTWYKSFEYRARVVREPRKVLSEMGT CC ATOM TPTLKNVIVCSLCSCTAWPILGLPPTWYKSFEYRARVVREPRKVLSEMGT CC ************************************************** CC SEQRES EIASDIEIRVYDTTAETRYMVLPQRPAGTEGWSQEQLQEIVTKDCLIGVA CC ATOM EIASDIEIRVYDTTAETRYMVLPQRPAGTEGWSQEQLQEIVTKDCLIGVA CC ************************************************** CC SEQRES IPQVPTV CC ATOM IPQVPTV CC ******* SQ SEQUENCE 207 AA; MW; CN; MSVTIDHTTE NAAPAQAAVS DRAWALFRAL DGKGLVPDGY VEGWKKTFEE DFSPRRGAEL VARAWTDPEF RQLLLTDGTA AVAQYGYLGP QGEYIVAVED TPTLKNVIVC SLCSCTAWPI LGLPPTWYKS FEYRARVVRE PRKVLSEMGT EIASDIEIRV YDTTAETRYM VLPQRPAGTE GWSQEQLQEI VTKDCLIGVA IPQVPTV // ID 1AHJB STANDARD; PRT; 212 AA. DT CONVERTED FROM PDB (SEQRES) 1AHJ DE NITRILE HYDRATASE (SUBUNIT BETA) OS Rhodococcus sp. R312 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.650 CC R-Factor 0.264 FT #SUB 5 5 HIS B 111 111 SER A Protein B 1 FT #SUB 5 5 HIS B 112 112 LEU A Protein A 2 FT #SUB 5 5 HIS B 134 134 ARG A Protein B 3 FT #SUB 6 6 ASP B 112 112 LEU A Protein A 3 FT #SUB 7 7 LEU B 131 131 PHE A Protein S 4 FT #SUB 7 7 LEU B 134 134 ARG A Protein S 3 FT #SUB 7 7 LEU B 135 135 ALA A Protein A 5 FT #SUB 8 8 ALA B 111 111 SER A Protein S 2 FT #SUB 8 8 ALA B 134 134 ARG A Protein B 2 FT #SUB 8 8 ALA B 135 135 ALA A Protein B 1 FT #SUB 8 8 ALA B 138 138 VAL A Protein S 1 FT #SUB 9 9 GLY B 135 135 ALA A Protein B 1 FT #SUB 9 9 GLY B 139 139 ARG A Protein B 3 FT #SUB 10 10 VAL B 135 135 ALA A Protein B 1 FT #SUB 11 11 GLN B 139 139 ARG A Protein S 8 FT #SUB 13 13 PHE B 131 131 PHE A Protein S 2 FT #SUB 13 13 PHE B 132 132 GLU A Protein S 1 FT #SUB 13 13 PHE B 135 135 ALA A Protein S 2 FT #SUB 13 13 PHE B 136 136 ARG A Protein B 1 FT #SUB 14 14 GLY B 132 132 GLU A Protein B 1 FT #SUB 14 14 GLY B 136 136 ARG A Protein B 5 FT #SUB 15 15 LYS B 132 132 GLU A Protein B 1 FT #SUB 15 15 LYS B 136 136 ARG A Protein A 2 FT #SUB 15 15 LYS B 147 147 GLU A Protein A 2 FT #SUB 16 16 VAL B 127 127 TRP A Protein S 2 FT #SUB 16 16 VAL B 133 133 TYR A Protein S 3 FT #SUB 16 16 VAL B 136 136 ARG A Protein B 1 FT #SUB 16 16 VAL B 144 144 VAL A Protein S 1 FT #SUB 16 16 VAL B 148 148 MET A Protein S 1 FT #SUB 17 17 PRO B 127 127 TRP A Protein B 1 FT #SUB 17 17 PRO B 132 132 GLU A Protein S 1 FT #SUB 18 18 HIS B 127 127 TRP A Protein S 19 FT #SUB 18 18 HIS B 148 148 MET A Protein B 3 FT #SUB 18 18 HIS B 194 194 ASP A Protein S 4 FT #SUB 19 19 THR B 148 148 MET A Protein A 4 FT #SUB 20 20 VAL B 148 148 MET A Protein A 5 FT #SUB 20 20 VAL B 150 150 THR A Protein S 1 FT #SUB 20 20 VAL B 194 194 ASP A Protein B 2 FT #SUB 20 20 VAL B 199 199 VAL A Protein S 2 FT #SUB 20 20 VAL B 200 200 ALA A Protein S 2 FT #SUB 21 21 ASP B 192 192 THR A Protein S 2 FT #SUB 21 21 ASP B 194 194 ASP A Protein A 5 FT #SUB 21 21 ASP B 200 200 ALA A Protein S 1 FT #SUB 24 24 ILE B 125 125 PRO A Protein S 2 FT #SUB 27 27 THR B 123 123 LEU A Protein S 1 FT #SUB 28 28 PHE B 45 45 LYS A Protein S 1 FT #SUB 28 28 PHE B 48 48 PHE A Protein S 1 FT #SUB 28 28 PHE B 49 49 GLU A Protein S 2 FT #SUB 28 28 PHE B 123 123 LEU A Protein S 1 FT #SUB 31 31 GLU B 20 20 SER A Protein S 1 FT #SUB 31 31 GLU B 24 24 TRP A Protein S 4 FT #SUB 32 32 TRP B 19 19 VAL A Protein S 4 FT #SUB 32 32 TRP B 23 23 ALA A Protein S 2 FT #SUB 34 34 HIS B 41 41 VAL A Protein S 2 FT #SUB 34 34 HIS B 45 45 LYS A Protein S 2 FT #SUB 35 35 LEU B 23 23 ALA A Protein S 3 FT #SUB 35 35 LEU B 24 24 TRP A Protein S 5 FT #SUB 35 35 LEU B 41 41 VAL A Protein S 1 FT #SUB 37 37 TYR B 48 48 PHE A Protein S 2 FT #SUB 37 37 TYR B 118 118 TRP A Protein S 6 FT #SUB 37 37 TYR B 123 123 LEU A Protein S 1 FT #SUB 38 38 SER B 40 40 TYR A Protein B 1 FT #SUB 38 38 SER B 41 41 VAL A Protein S 1 FT #SUB 38 38 SER B 44 44 TRP A Protein S 1 FT #SUB 39 39 LEU B 30 30 LEU A Protein S 1 FT #SUB 41 41 PHE B 40 40 TYR A Protein A 3 FT #SUB 41 41 PHE B 44 44 TRP A Protein S 4 FT #SUB 41 41 PHE B 118 118 TRP A Protein S 2 FT #SUB 42 42 ALA B 40 40 TYR A Protein A 5 FT #SUB 46 46 GLU B 37 37 PRO A Protein S 2 FT #SUB 46 46 GLU B 40 40 TYR A Protein S 3 FT #SUB 47 47 LEU B 35 35 LEU A Protein S 2 FT #SUB 56 56 ARG B 113 113 CYS A Protein S 1 FT #SUB 56 56 ARG B 115 115 CYS A Protein S 1 FT #SUB 56 56 ARG B 168 168 ARG A Protein S 1 FT #SUB 65 65 ARG B 11 11 ASN A Protein S 6 FT #SUB 66 66 HIS B 14 14 PRO A Protein S 2 FT #SUB 66 66 HIS B 16 16 GLN A Protein S 4 FT #SUB 67 67 TYR B 131 131 PHE A Protein A 4 FT #SUB 67 67 TYR B 134 134 ARG A Protein S 3 FT #SUB 68 68 MET B 131 131 PHE A Protein A 3 FT #SUB 69 69 MET B 13 13 ALA A Protein S 2 FT #SUB 69 69 MET B 14 14 PRO A Protein S 1 FT #SUB 72 72 TYR B 114 114 SER A Protein S 5 FT #SUB 72 72 TYR B 129 129 LYS A Protein S 7 FT #SUB 74 74 GLU B 16 16 GLN A Protein S 1 FT #SUB 74 74 GLU B 19 19 VAL A Protein S 4 FT #SUB 74 74 GLU B 22 22 ARG A Protein S 5 FT #SUB 75 75 ARG B 131 131 PHE A Protein S 1 FT #SUB 75 75 ARG B 134 134 ARG A Protein S 1 FT #SUB 77 77 VAL B 26 26 LEU A Protein B 1 FT #SUB 78 78 ILE B 22 22 ARG A Protein S 2 FT #SUB 81 81 ALA B 26 26 LEU A Protein A 3 FT #SUB 84 84 MET B 30 30 LEU A Protein S 2 FT #SUB 89 89 ILE B 35 35 LEU A Protein S 1 FT #SUB 90 90 LEU B 29 29 ALA A Protein S 1 FT #SUB 90 90 LEU B 33 33 LYS A Protein S 1 FT #SUB 94 94 GLU B 33 33 LYS A Protein S 5 FT #SUB 95 95 LEU B 25 25 ALA A Protein A 2 FT #SUB 98 98 LEU B 25 25 ALA A Protein A 3 FT #SUB 98 98 LEU B 29 29 ALA A Protein S 2 FT #SUB 99 99 ALA B 21 21 ASP A Protein A 4 FT #SUB 99 99 ALA B 25 25 ALA A Protein A 3 FT #SUB 101 101 GLY B 17 17 ALA A Protein B 1 FT #SUB 102 102 PRO B 15 15 ALA A Protein S 2 FT #SUB 102 102 PRO B 16 16 GLN A Protein B 2 FT #SUB 102 102 PRO B 17 17 ALA A Protein B 2 FT #SUB 102 102 PRO B 22 22 ARG A Protein B 1 FT #SUB 103 103 PHE B 22 22 ARG A Protein S 9 FT #SUB 104 104 PRO B 15 15 ALA A Protein S 2 FT #SUB 104 104 PRO B 16 16 GLN A Protein S 4 FT #SUB 141 141 ARG B 112 112 LEU A Protein S 5 FT #SUB 141 141 ARG B 113 113 CYS A Protein S 1 FT #SUB 141 141 ARG B 115 115 CYS A Protein S 1 FT #SUB 141 141 ARG B 164 164 THR A Protein A 9 FT #SUB 143 143 PRO B 112 112 LEU A Protein S 1 FT #SUB 143 143 PRO B 162 162 ASP A Protein S 1 FT #SUB 143 143 PRO B 164 164 THR A Protein S 2 FT #SUB 145 145 TYR B 138 138 VAL A Protein S 2 FT #SUB 145 145 TYR B 162 162 ASP A Protein S 3 FT #SUB 155 155 HIS B 94 94 TYR A Protein S 4 FT #SUB 157 157 THR B 94 94 TYR A Protein A 7 FT #SUB 157 157 THR B 167 167 THR A Protein S 1 FT #SUB 158 158 THR B 94 94 TYR A Protein A 4 FT #SUB 159 159 GLU B 94 94 TYR A Protein S 1 FT #SUB 161 161 TRP B 94 94 TYR A Protein S 5 FT #SUB 161 161 TRP B 166 166 GLU A Protein S 7 FT #SUB 179 179 THR B 165 165 ALA A Protein S 1 FT #SUB 181 181 HIS B 167 167 THR A Protein S 4 FT #SUB 181 181 HIS B 169 169 TYR A Protein S 7 FT #SUB 183 183 LYS B 159 159 ARG A Protein S 3 FT #SUB 190 190 PHE B 138 138 VAL A Protein S 3 FT #SUB 190 190 PHE B 139 139 ARG A Protein S 8 FT #SUB 193 193 ASP B 139 139 ARG A Protein A 7 FT #SUB 194 194 THR B 139 139 ARG A Protein A 3 FT #SUB 195 195 ASP B 139 139 ARG A Protein B 1 FT #SUB 195 195 ASP B 140 140 GLU A Protein S 2 FT #SUB 195 195 ASP B 141 141 PRO A Protein B 1 FT #SUB 195 195 ASP B 142 142 ARG A Protein A 9 FT #SUB 195 195 ASP B 143 143 LYS A Protein S 4 FT #SUB 197 197 GLY B 158 158 ILE A Protein B 3 FT #SUB 198 198 SER B 157 157 GLU A Protein S 2 FT #SUB 198 198 SER B 158 158 ILE A Protein B 2 FT #SUB 198 198 SER B 159 159 ARG A Protein A 7 FT #SUB 198 198 SER B 160 160 VAL A Protein B 2 FT #SUB 199 199 VAL B 138 138 VAL A Protein S 1 FT #SUB 199 199 VAL B 160 160 VAL A Protein A 3 FT #SUB 200 200 VAL B 159 159 ARG A Protein S 1 FT #SUB 200 200 VAL B 160 160 VAL A Protein B 3 FT #SUB 200 200 VAL B 161 161 TYR A Protein A 8 FT #SUB 200 200 VAL B 162 162 ASP A Protein B 3 FT #SUB 201 201 VAL B 164 164 THR A Protein S 1 FT #SUB 202 202 ASP B 162 162 ASP A Protein B 1 FT #SUB 202 202 ASP B 164 164 THR A Protein A 6 FT #SUB 202 202 ASP B 165 165 ALA A Protein A 7 FT #SUB 202 202 ASP B 167 167 THR A Protein S 5 FT #SUB 204 204 PHE B 165 165 ALA A Protein S 1 CC SEQUENCE 212 AA (ATOM); CC MDGVHDLAGV QGFGKVPHTV DADIGPTFHA EWEHLPYSLM FAGVAELGAF SVDEVRYVVE CC RMEPRHYMMT PYYERYVIGV ATLMVEKGIL TQDELESLAG GPFPLSRPSE SEGRPAPVET CC TTFEVGQRVR VRDEYVPGHI RMPAYCRGRV GTISHRTTEK WPFPDAIGHG RNDAGEEPTY CC HVKFAAEELF GSDTDGGSVV VDLFEGYLEP AA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDGVHDLAGVQGFGKVPHTVDADIGPTFHAEWEHLPYSLMFAGVAELGAF CC ATOM MDGVHDLAGVQGFGKVPHTVDADIGPTFHAEWEHLPYSLMFAGVAELGAF CC ************************************************** CC SEQRES SVDEVRYVVERMEPRHYMMTPYYERYVIGVATLMVEKGILTQDELESLAG CC ATOM SVDEVRYVVERMEPRHYMMTPYYERYVIGVATLMVEKGILTQDELESLAG CC ************************************************** CC SEQRES GPFPLSRPSESEGRPAPVETTTFEVGQRVRVRDEYVPGHIRMPAYCRGRV CC ATOM GPFPLSRPSESEGRPAPVETTTFEVGQRVRVRDEYVPGHIRMPAYCRGRV CC ************************************************** CC SEQRES GTISHRTTEKWPFPDAIGHGRNDAGEEPTYHVKFAAEELFGSDTDGGSVV CC ATOM GTISHRTTEKWPFPDAIGHGRNDAGEEPTYHVKFAAEELFGSDTDGGSVV CC ************************************************** CC SEQRES VDLFEGYLEPAA CC ATOM VDLFEGYLEPAA CC ************ SQ SEQUENCE 212 AA; MW; CN; MDGVHDLAGV QGFGKVPHTV DADIGPTFHA EWEHLPYSLM FAGVAELGAF SVDEVRYVVE RMEPRHYMMT PYYERYVIGV ATLMVEKGIL TQDELESLAG GPFPLSRPSE SEGRPAPVET TTFEVGQRVR VRDEYVPGHI RMPAYCRGRV GTISHRTTEK WPFPDAIGHG RNDAGEEPTY HVKFAAEELF GSDTDGGSVV VDLFEGYLEP AA // ID 1AHJC STANDARD; PRT; 207 AA. DT CONVERTED FROM PDB (SEQRES) 1AHJ DE NITRILE HYDRATASE (SUBUNIT ALPHA) OS Rhodococcus sp. R312 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.650 CC R-Factor 0.264 FT #SUB 203 203 GLN C 206 206 THR A Protein S 1 FT #SUB 203 203 GLN C 207 207 VAL A Protein S 2 FT #SUB 11 11 ASN C 65 65 ARG D Protein S 5 FT #SUB 13 13 ALA C 69 69 MET D Protein S 2 FT #SUB 14 14 PRO C 69 69 MET D Protein S 1 FT #SUB 15 15 ALA C 102 102 PRO D Protein B 1 FT #SUB 15 15 ALA C 104 104 PRO D Protein B 2 FT #SUB 16 16 GLN C 66 66 HIS D Protein S 4 FT #SUB 16 16 GLN C 74 74 GLU D Protein S 1 FT #SUB 16 16 GLN C 102 102 PRO D Protein B 1 FT #SUB 16 16 GLN C 104 104 PRO D Protein S 3 FT #SUB 17 17 ALA C 101 101 GLY D Protein S 2 FT #SUB 17 17 ALA C 102 102 PRO D Protein A 2 FT #SUB 19 19 VAL C 32 32 TRP D Protein S 3 FT #SUB 19 19 VAL C 74 74 GLU D Protein S 2 FT #SUB 20 20 SER C 31 31 GLU D Protein S 1 FT #SUB 21 21 ASP C 99 99 ALA D Protein A 5 FT #SUB 22 22 ARG C 74 74 GLU D Protein S 5 FT #SUB 22 22 ARG C 78 78 ILE D Protein S 1 FT #SUB 22 22 ARG C 102 102 PRO D Protein S 1 FT #SUB 22 22 ARG C 103 103 PHE D Protein A 6 FT #SUB 23 23 ALA C 32 32 TRP D Protein S 2 FT #SUB 23 23 ALA C 35 35 LEU D Protein A 3 FT #SUB 24 24 TRP C 31 31 GLU D Protein S 4 FT #SUB 24 24 TRP C 35 35 LEU D Protein S 3 FT #SUB 25 25 ALA C 95 95 LEU D Protein A 2 FT #SUB 25 25 ALA C 98 98 LEU D Protein A 3 FT #SUB 25 25 ALA C 99 99 ALA D Protein S 3 FT #SUB 26 26 LEU C 39 39 LEU D Protein S 1 FT #SUB 26 26 LEU C 77 77 VAL D Protein S 1 FT #SUB 26 26 LEU C 95 95 LEU D Protein B 1 FT #SUB 29 29 ALA C 90 90 LEU D Protein S 1 FT #SUB 29 29 ALA C 98 98 LEU D Protein A 2 FT #SUB 30 30 LEU C 84 84 MET D Protein S 2 FT #SUB 33 33 LYS C 89 89 ILE D Protein S 1 FT #SUB 33 33 LYS C 90 90 LEU D Protein S 1 FT #SUB 33 33 LYS C 94 94 GLU D Protein S 6 FT #SUB 35 35 LEU C 47 47 LEU D Protein B 1 FT #SUB 35 35 LEU C 89 89 ILE D Protein S 1 FT #SUB 37 37 PRO C 46 46 GLU D Protein S 2 FT #SUB 40 40 TYR C 38 38 SER D Protein S 1 FT #SUB 40 40 TYR C 42 42 ALA D Protein S 3 FT #SUB 40 40 TYR C 46 46 GLU D Protein S 4 FT #SUB 41 41 VAL C 34 34 HIS D Protein S 2 FT #SUB 41 41 VAL C 35 35 LEU D Protein S 1 FT #SUB 41 41 VAL C 38 38 SER D Protein B 1 FT #SUB 44 44 TRP C 38 38 SER D Protein S 1 FT #SUB 44 44 TRP C 41 41 PHE D Protein S 6 FT #SUB 45 45 LYS C 34 34 HIS D Protein S 5 FT #SUB 48 48 PHE C 28 28 PHE D Protein S 1 FT #SUB 48 48 PHE C 37 37 TYR D Protein S 2 FT #SUB 49 49 GLU C 28 28 PHE D Protein S 2 FT #SUB 90 90 PRO C 41 41 PHE D Protein S 1 FT #SUB 94 94 TYR C 155 155 HIS D Protein S 3 FT #SUB 94 94 TYR C 157 157 THR D Protein S 8 FT #SUB 94 94 TYR C 158 158 THR D Protein S 4 FT #SUB 94 94 TYR C 159 159 GLU D Protein S 1 FT #SUB 94 94 TYR C 161 161 TRP D Protein S 6 FT #SUB 111 111 SER C 5 5 HIS D Protein B 1 FT #SUB 111 111 SER C 8 8 ALA D Protein S 2 FT #SUB 112 112 LEU C 5 5 HIS D Protein S 1 FT #SUB 112 112 LEU C 6 6 ASP D Protein S 1 FT #SUB 112 112 LEU C 141 141 ARG D Protein S 5 FT #SUB 113 113 CYS C 56 56 ARG D Protein S 1 FT #SUB 113 113 CYS C 76 76 TYR D Protein S 1 FT #SUB 113 113 CYS C 141 141 ARG D Protein S 1 FT #SUB 114 114 SER C 72 72 TYR D Protein S 7 FT #SUB 115 115 CYS C 56 56 ARG D Protein S 2 FT #SUB 115 115 CYS C 141 141 ARG D Protein S 1 FT #SUB 118 118 TRP C 37 37 TYR D Protein S 5 FT #SUB 118 118 TRP C 41 41 PHE D Protein S 2 FT #SUB 123 123 LEU C 27 27 THR D Protein S 1 FT #SUB 123 123 LEU C 28 28 PHE D Protein S 1 FT #SUB 123 123 LEU C 37 37 TYR D Protein S 1 FT #SUB 123 123 LEU C 73 73 TYR D Protein S 1 FT #SUB 125 125 PRO C 24 24 ILE D Protein S 2 FT #SUB 127 127 TRP C 16 16 VAL D Protein A 2 FT #SUB 127 127 TRP C 17 17 PRO D Protein S 1 FT #SUB 127 127 TRP C 18 18 HIS D Protein S 20 FT #SUB 129 129 LYS C 72 72 TYR D Protein S 7 FT #SUB 131 131 PHE C 7 7 LEU D Protein A 5 FT #SUB 131 131 PHE C 13 13 PHE D Protein S 2 FT #SUB 131 131 PHE C 67 67 TYR D Protein S 4 FT #SUB 131 131 PHE C 68 68 MET D Protein S 3 FT #SUB 131 131 PHE C 75 75 ARG D Protein S 1 FT #SUB 132 132 GLU C 13 13 PHE D Protein S 1 FT #SUB 132 132 GLU C 15 15 LYS D Protein S 1 FT #SUB 132 132 GLU C 16 16 VAL D Protein S 1 FT #SUB 132 132 GLU C 17 17 PRO D Protein S 1 FT #SUB 133 133 TYR C 16 16 VAL D Protein A 3 FT #SUB 134 134 ARG C 5 5 HIS D Protein S 3 FT #SUB 134 134 ARG C 7 7 LEU D Protein S 2 FT #SUB 134 134 ARG C 8 8 ALA D Protein B 2 FT #SUB 134 134 ARG C 67 67 TYR D Protein S 3 FT #SUB 134 134 ARG C 75 75 ARG D Protein S 1 FT #SUB 135 135 ALA C 7 7 LEU D Protein A 5 FT #SUB 135 135 ALA C 8 8 ALA D Protein B 3 FT #SUB 135 135 ALA C 9 9 GLY D Protein B 3 FT #SUB 135 135 ALA C 10 10 VAL D Protein S 1 FT #SUB 135 135 ALA C 13 13 PHE D Protein S 2 FT #SUB 136 136 ARG C 13 13 PHE D Protein S 1 FT #SUB 136 136 ARG C 14 14 GLY D Protein S 5 FT #SUB 136 136 ARG C 15 15 LYS D Protein S 4 FT #SUB 136 136 ARG C 16 16 VAL D Protein S 1 FT #SUB 138 138 VAL C 8 8 ALA D Protein S 1 FT #SUB 138 138 VAL C 145 145 TYR D Protein S 3 FT #SUB 138 138 VAL C 190 190 PHE D Protein A 2 FT #SUB 138 138 VAL C 199 199 VAL D Protein B 1 FT #SUB 139 139 ARG C 9 9 GLY D Protein S 3 FT #SUB 139 139 ARG C 11 11 GLN D Protein S 8 FT #SUB 139 139 ARG C 190 190 PHE D Protein A 5 FT #SUB 139 139 ARG C 193 193 ASP D Protein S 8 FT #SUB 139 139 ARG C 194 194 THR D Protein B 3 FT #SUB 139 139 ARG C 195 195 ASP D Protein B 1 FT #SUB 140 140 GLU C 195 195 ASP D Protein A 2 FT #SUB 141 141 PRO C 195 195 ASP D Protein S 1 FT #SUB 141 141 PRO C 196 196 GLY D Protein S 2 FT #SUB 142 142 ARG C 195 195 ASP D Protein A 12 FT #SUB 143 143 LYS C 195 195 ASP D Protein A 4 FT #SUB 144 144 VAL C 16 16 VAL D Protein S 1 FT #SUB 147 147 GLU C 15 15 LYS D Protein S 4 FT #SUB 148 148 MET C 18 18 HIS D Protein A 3 FT #SUB 148 148 MET C 19 19 THR D Protein B 4 FT #SUB 148 148 MET C 20 20 VAL D Protein B 6 FT #SUB 150 150 THR C 20 20 VAL D Protein S 1 FT #SUB 157 157 GLU C 197 197 GLY D Protein S 1 FT #SUB 157 157 GLU C 198 198 SER D Protein S 3 FT #SUB 158 158 ILE C 197 197 GLY D Protein B 3 FT #SUB 158 158 ILE C 198 198 SER D Protein B 2 FT #SUB 159 159 ARG C 183 183 LYS D Protein S 2 FT #SUB 159 159 ARG C 198 198 SER D Protein A 5 FT #SUB 159 159 ARG C 200 200 VAL D Protein S 2 FT #SUB 160 160 VAL C 198 198 SER D Protein B 1 FT #SUB 160 160 VAL C 199 199 VAL D Protein B 3 FT #SUB 160 160 VAL C 200 200 VAL D Protein B 4 FT #SUB 161 161 TYR C 200 200 VAL D Protein A 9 FT #SUB 162 162 ASP C 143 143 PRO D Protein S 1 FT #SUB 162 162 ASP C 145 145 TYR D Protein S 5 FT #SUB 162 162 ASP C 200 200 VAL D Protein A 4 FT #SUB 162 162 ASP C 202 202 ASP D Protein B 1 FT #SUB 164 164 THR C 141 141 ARG D Protein A 9 FT #SUB 164 164 THR C 143 143 PRO D Protein S 2 FT #SUB 164 164 THR C 201 201 VAL D Protein S 1 FT #SUB 164 164 THR C 202 202 ASP D Protein S 6 FT #SUB 165 165 ALA C 179 179 THR D Protein S 1 FT #SUB 165 165 ALA C 202 202 ASP D Protein A 8 FT #SUB 165 165 ALA C 204 204 PHE D Protein S 1 FT #SUB 166 166 GLU C 161 161 TRP D Protein S 8 FT #SUB 166 166 GLU C 202 202 ASP D Protein B 1 FT #SUB 167 167 THR C 157 157 THR D Protein S 1 FT #SUB 167 167 THR C 181 181 HIS D Protein S 4 FT #SUB 167 167 THR C 202 202 ASP D Protein A 6 FT #SUB 168 168 ARG C 56 56 ARG D Protein S 1 FT #SUB 169 169 TYR C 181 181 HIS D Protein S 8 FT #SUB 192 192 THR C 21 21 ASP D Protein S 4 FT #SUB 194 194 ASP C 18 18 HIS D Protein S 4 FT #SUB 194 194 ASP C 21 21 ASP D Protein S 6 FT #SUB 199 199 VAL C 20 20 VAL D Protein A 2 FT #SUB 200 200 ALA C 20 20 VAL D Protein S 2 FT #SUB 200 200 ALA C 21 21 ASP D Protein S 1 FT #SUB 85 85 TYR C 207 207 VAL G Protein B 1 FT #SUB 87 87 TYR C 206 206 THR G Protein S 1 FT #HET 110 110 CYS C 2 208 FE C S 2 FT #HET 113 113 CYS C 2 208 FE C A 5 FT #HET 114 114 SER C 2 208 FE C A 5 FT #HET 115 115 CYS C 2 208 FE C A 4 FT DISORDER 1 9 CC SEQUENCE 198 AA (ATOM); CC ENAAPAQAAV SDRAWALFRA LDGKGLVPDG YVEGWKKTFE EDFSPRRGAE LVARAWTDPE CC FRQLLLTDGT AAVAQYGYLG PQGEYIVAVE DTPTLKNVIV CSLCSCTAWP ILGLPPTWYK CC SFEYRARVVR EPRKVLSEMG TEIASDIEIR VYDTTAETRY MVLPQRPAGT EGWSQEQLQE CC IVTKDCLIGV AIPQVPTV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSVTIDHTTENAAPAQAAVSDRAWALFRALDGKGLVPDGYVEGWKKTFEE CC ATOM ---------ENAAPAQAAVSDRAWALFRALDGKGLVPDGYVEGWKKTFEE CC ***************************************** CC SEQRES DFSPRRGAELVARAWTDPEFRQLLLTDGTAAVAQYGYLGPQGEYIVAVED CC ATOM DFSPRRGAELVARAWTDPEFRQLLLTDGTAAVAQYGYLGPQGEYIVAVED CC ************************************************** CC SEQRES TPTLKNVIVCSLCSCTAWPILGLPPTWYKSFEYRARVVREPRKVLSEMGT CC ATOM TPTLKNVIVCSLCSCTAWPILGLPPTWYKSFEYRARVVREPRKVLSEMGT CC ************************************************** CC SEQRES EIASDIEIRVYDTTAETRYMVLPQRPAGTEGWSQEQLQEIVTKDCLIGVA CC ATOM EIASDIEIRVYDTTAETRYMVLPQRPAGTEGWSQEQLQEIVTKDCLIGVA CC ************************************************** CC SEQRES IPQVPTV CC ATOM IPQVPTV CC ******* SQ SEQUENCE 207 AA; MW; CN; MSVTIDHTTE NAAPAQAAVS DRAWALFRAL DGKGLVPDGY VEGWKKTFEE DFSPRRGAEL VARAWTDPEF RQLLLTDGTA AVAQYGYLGP QGEYIVAVED TPTLKNVIVC SLCSCTAWPI LGLPPTWYKS FEYRARVVRE PRKVLSEMGT EIASDIEIRV YDTTAETRYM VLPQRPAGTE GWSQEQLQEI VTKDCLIGVA IPQVPTV // ID 1AHJD STANDARD; PRT; 212 AA. DT CONVERTED FROM PDB (SEQRES) 1AHJ DE NITRILE HYDRATASE (SUBUNIT BETA) OS Rhodococcus sp. R312 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.650 CC R-Factor 0.264 FT #SUB 5 5 HIS D 111 111 SER C Protein B 1 FT #SUB 5 5 HIS D 112 112 LEU C Protein S 1 FT #SUB 5 5 HIS D 134 134 ARG C Protein B 3 FT #SUB 6 6 ASP D 112 112 LEU C Protein S 1 FT #SUB 7 7 LEU D 131 131 PHE C Protein S 5 FT #SUB 7 7 LEU D 134 134 ARG C Protein S 2 FT #SUB 7 7 LEU D 135 135 ALA C Protein A 5 FT #SUB 8 8 ALA D 111 111 SER C Protein S 2 FT #SUB 8 8 ALA D 134 134 ARG C Protein B 2 FT #SUB 8 8 ALA D 135 135 ALA C Protein B 3 FT #SUB 8 8 ALA D 138 138 VAL C Protein S 1 FT #SUB 9 9 GLY D 135 135 ALA C Protein B 3 FT #SUB 9 9 GLY D 139 139 ARG C Protein B 3 FT #SUB 10 10 VAL D 135 135 ALA C Protein B 1 FT #SUB 11 11 GLN D 139 139 ARG C Protein S 8 FT #SUB 13 13 PHE D 131 131 PHE C Protein S 2 FT #SUB 13 13 PHE D 132 132 GLU C Protein S 1 FT #SUB 13 13 PHE D 135 135 ALA C Protein S 2 FT #SUB 13 13 PHE D 136 136 ARG C Protein B 1 FT #SUB 14 14 GLY D 136 136 ARG C Protein B 5 FT #SUB 15 15 LYS D 132 132 GLU C Protein B 1 FT #SUB 15 15 LYS D 136 136 ARG C Protein A 4 FT #SUB 15 15 LYS D 147 147 GLU C Protein S 4 FT #SUB 16 16 VAL D 127 127 TRP C Protein S 2 FT #SUB 16 16 VAL D 132 132 GLU C Protein B 1 FT #SUB 16 16 VAL D 133 133 TYR C Protein S 3 FT #SUB 16 16 VAL D 136 136 ARG C Protein B 1 FT #SUB 16 16 VAL D 144 144 VAL C Protein S 1 FT #SUB 17 17 PRO D 127 127 TRP C Protein B 1 FT #SUB 17 17 PRO D 132 132 GLU C Protein S 1 FT #SUB 18 18 HIS D 127 127 TRP C Protein S 20 FT #SUB 18 18 HIS D 148 148 MET C Protein B 3 FT #SUB 18 18 HIS D 194 194 ASP C Protein S 4 FT #SUB 19 19 THR D 148 148 MET C Protein A 4 FT #SUB 20 20 VAL D 148 148 MET C Protein A 6 FT #SUB 20 20 VAL D 150 150 THR C Protein S 1 FT #SUB 20 20 VAL D 199 199 VAL C Protein S 2 FT #SUB 20 20 VAL D 200 200 ALA C Protein S 2 FT #SUB 21 21 ASP D 192 192 THR C Protein S 4 FT #SUB 21 21 ASP D 194 194 ASP C Protein A 6 FT #SUB 21 21 ASP D 200 200 ALA C Protein S 1 FT #SUB 24 24 ILE D 125 125 PRO C Protein S 2 FT #SUB 27 27 THR D 123 123 LEU C Protein S 1 FT #SUB 28 28 PHE D 48 48 PHE C Protein S 1 FT #SUB 28 28 PHE D 49 49 GLU C Protein S 2 FT #SUB 28 28 PHE D 123 123 LEU C Protein S 1 FT #SUB 31 31 GLU D 20 20 SER C Protein S 1 FT #SUB 31 31 GLU D 24 24 TRP C Protein S 4 FT #SUB 32 32 TRP D 19 19 VAL C Protein S 3 FT #SUB 32 32 TRP D 23 23 ALA C Protein S 2 FT #SUB 34 34 HIS D 41 41 VAL C Protein S 2 FT #SUB 34 34 HIS D 45 45 LYS C Protein S 5 FT #SUB 35 35 LEU D 23 23 ALA C Protein S 3 FT #SUB 35 35 LEU D 24 24 TRP C Protein S 3 FT #SUB 35 35 LEU D 41 41 VAL C Protein S 1 FT #SUB 37 37 TYR D 48 48 PHE C Protein S 2 FT #SUB 37 37 TYR D 118 118 TRP C Protein S 5 FT #SUB 37 37 TYR D 123 123 LEU C Protein S 1 FT #SUB 38 38 SER D 40 40 TYR C Protein B 1 FT #SUB 38 38 SER D 41 41 VAL C Protein S 1 FT #SUB 38 38 SER D 44 44 TRP C Protein S 1 FT #SUB 39 39 LEU D 26 26 LEU C Protein S 1 FT #SUB 41 41 PHE D 44 44 TRP C Protein S 6 FT #SUB 41 41 PHE D 90 90 PRO C Protein S 1 FT #SUB 41 41 PHE D 118 118 TRP C Protein S 2 FT #SUB 42 42 ALA D 40 40 TYR C Protein A 3 FT #SUB 46 46 GLU D 37 37 PRO C Protein S 2 FT #SUB 46 46 GLU D 40 40 TYR C Protein S 4 FT #SUB 47 47 LEU D 35 35 LEU C Protein S 1 FT #SUB 56 56 ARG D 113 113 CYS C Protein S 1 FT #SUB 56 56 ARG D 115 115 CYS C Protein S 2 FT #SUB 56 56 ARG D 168 168 ARG C Protein S 1 FT #SUB 65 65 ARG D 11 11 ASN C Protein S 5 FT #SUB 66 66 HIS D 16 16 GLN C Protein S 4 FT #SUB 67 67 TYR D 131 131 PHE C Protein A 4 FT #SUB 67 67 TYR D 134 134 ARG C Protein S 3 FT #SUB 68 68 MET D 131 131 PHE C Protein A 3 FT #SUB 69 69 MET D 13 13 ALA C Protein S 2 FT #SUB 69 69 MET D 14 14 PRO C Protein S 1 FT #SUB 72 72 TYR D 114 114 SER C Protein S 7 FT #SUB 72 72 TYR D 129 129 LYS C Protein S 7 FT #SUB 73 73 TYR D 123 123 LEU C Protein S 1 FT #SUB 74 74 GLU D 16 16 GLN C Protein S 1 FT #SUB 74 74 GLU D 19 19 VAL C Protein S 2 FT #SUB 74 74 GLU D 22 22 ARG C Protein S 5 FT #SUB 75 75 ARG D 131 131 PHE C Protein S 1 FT #SUB 75 75 ARG D 134 134 ARG C Protein S 1 FT #SUB 76 76 TYR D 113 113 CYS C Protein S 1 FT #SUB 77 77 VAL D 26 26 LEU C Protein B 1 FT #SUB 78 78 ILE D 22 22 ARG C Protein S 1 FT #SUB 84 84 MET D 30 30 LEU C Protein S 2 FT #SUB 89 89 ILE D 33 33 LYS C Protein B 1 FT #SUB 89 89 ILE D 35 35 LEU C Protein S 1 FT #SUB 90 90 LEU D 29 29 ALA C Protein S 1 FT #SUB 90 90 LEU D 33 33 LYS C Protein S 1 FT #SUB 94 94 GLU D 33 33 LYS C Protein S 6 FT #SUB 95 95 LEU D 25 25 ALA C Protein A 2 FT #SUB 95 95 LEU D 26 26 LEU C Protein S 1 FT #SUB 98 98 LEU D 25 25 ALA C Protein A 3 FT #SUB 98 98 LEU D 29 29 ALA C Protein S 2 FT #SUB 99 99 ALA D 21 21 ASP C Protein A 5 FT #SUB 99 99 ALA D 25 25 ALA C Protein A 3 FT #SUB 101 101 GLY D 17 17 ALA C Protein B 2 FT #SUB 102 102 PRO D 15 15 ALA C Protein S 1 FT #SUB 102 102 PRO D 16 16 GLN C Protein B 1 FT #SUB 102 102 PRO D 17 17 ALA C Protein B 2 FT #SUB 102 102 PRO D 22 22 ARG C Protein B 1 FT #SUB 103 103 PHE D 22 22 ARG C Protein S 6 FT #SUB 104 104 PRO D 15 15 ALA C Protein S 2 FT #SUB 104 104 PRO D 16 16 GLN C Protein S 3 FT #SUB 141 141 ARG D 112 112 LEU C Protein S 5 FT #SUB 141 141 ARG D 113 113 CYS C Protein S 1 FT #SUB 141 141 ARG D 115 115 CYS C Protein S 1 FT #SUB 141 141 ARG D 164 164 THR C Protein A 9 FT #SUB 143 143 PRO D 162 162 ASP C Protein S 1 FT #SUB 143 143 PRO D 164 164 THR C Protein S 2 FT #SUB 145 145 TYR D 138 138 VAL C Protein S 3 FT #SUB 145 145 TYR D 162 162 ASP C Protein S 5 FT #SUB 155 155 HIS D 94 94 TYR C Protein S 3 FT #SUB 157 157 THR D 94 94 TYR C Protein A 8 FT #SUB 157 157 THR D 167 167 THR C Protein S 1 FT #SUB 158 158 THR D 94 94 TYR C Protein A 4 FT #SUB 159 159 GLU D 94 94 TYR C Protein S 1 FT #SUB 161 161 TRP D 94 94 TYR C Protein S 6 FT #SUB 161 161 TRP D 166 166 GLU C Protein S 8 FT #SUB 179 179 THR D 165 165 ALA C Protein S 1 FT #SUB 181 181 HIS D 167 167 THR C Protein S 4 FT #SUB 181 181 HIS D 169 169 TYR C Protein S 8 FT #SUB 183 183 LYS D 159 159 ARG C Protein S 2 FT #SUB 190 190 PHE D 138 138 VAL C Protein S 2 FT #SUB 190 190 PHE D 139 139 ARG C Protein S 5 FT #SUB 193 193 ASP D 139 139 ARG C Protein A 8 FT #SUB 194 194 THR D 139 139 ARG C Protein A 3 FT #SUB 195 195 ASP D 139 139 ARG C Protein B 1 FT #SUB 195 195 ASP D 140 140 GLU C Protein S 2 FT #SUB 195 195 ASP D 141 141 PRO C Protein B 1 FT #SUB 195 195 ASP D 142 142 ARG C Protein A 12 FT #SUB 195 195 ASP D 143 143 LYS C Protein S 4 FT #SUB 196 196 GLY D 141 141 PRO C Protein B 2 FT #SUB 197 197 GLY D 157 157 GLU C Protein B 1 FT #SUB 197 197 GLY D 158 158 ILE C Protein B 3 FT #SUB 198 198 SER D 157 157 GLU C Protein S 3 FT #SUB 198 198 SER D 158 158 ILE C Protein B 2 FT #SUB 198 198 SER D 159 159 ARG C Protein A 5 FT #SUB 198 198 SER D 160 160 VAL C Protein B 1 FT #SUB 199 199 VAL D 138 138 VAL C Protein S 1 FT #SUB 199 199 VAL D 160 160 VAL C Protein A 3 FT #SUB 200 200 VAL D 159 159 ARG C Protein S 2 FT #SUB 200 200 VAL D 160 160 VAL C Protein B 4 FT #SUB 200 200 VAL D 161 161 TYR C Protein A 9 FT #SUB 200 200 VAL D 162 162 ASP C Protein B 4 FT #SUB 201 201 VAL D 164 164 THR C Protein S 1 FT #SUB 202 202 ASP D 162 162 ASP C Protein B 1 FT #SUB 202 202 ASP D 164 164 THR C Protein A 6 FT #SUB 202 202 ASP D 165 165 ALA C Protein A 8 FT #SUB 202 202 ASP D 166 166 GLU C Protein S 1 FT #SUB 202 202 ASP D 167 167 THR C Protein S 6 FT #SUB 204 204 PHE D 165 165 ALA C Protein S 1 CC SEQUENCE 212 AA (ATOM); CC MDGVHDLAGV QGFGKVPHTV DADIGPTFHA EWEHLPYSLM FAGVAELGAF SVDEVRYVVE CC RMEPRHYMMT PYYERYVIGV ATLMVEKGIL TQDELESLAG GPFPLSRPSE SEGRPAPVET CC TTFEVGQRVR VRDEYVPGHI RMPAYCRGRV GTISHRTTEK WPFPDAIGHG RNDAGEEPTY CC HVKFAAEELF GSDTDGGSVV VDLFEGYLEP AA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDGVHDLAGVQGFGKVPHTVDADIGPTFHAEWEHLPYSLMFAGVAELGAF CC ATOM MDGVHDLAGVQGFGKVPHTVDADIGPTFHAEWEHLPYSLMFAGVAELGAF CC ************************************************** CC SEQRES SVDEVRYVVERMEPRHYMMTPYYERYVIGVATLMVEKGILTQDELESLAG CC ATOM SVDEVRYVVERMEPRHYMMTPYYERYVIGVATLMVEKGILTQDELESLAG CC ************************************************** CC SEQRES GPFPLSRPSESEGRPAPVETTTFEVGQRVRVRDEYVPGHIRMPAYCRGRV CC ATOM GPFPLSRPSESEGRPAPVETTTFEVGQRVRVRDEYVPGHIRMPAYCRGRV CC ************************************************** CC SEQRES GTISHRTTEKWPFPDAIGHGRNDAGEEPTYHVKFAAEELFGSDTDGGSVV CC ATOM GTISHRTTEKWPFPDAIGHGRNDAGEEPTYHVKFAAEELFGSDTDGGSVV CC ************************************************** CC SEQRES VDLFEGYLEPAA CC ATOM VDLFEGYLEPAA CC ************ SQ SEQUENCE 212 AA; MW; CN; MDGVHDLAGV QGFGKVPHTV DADIGPTFHA EWEHLPYSLM FAGVAELGAF SVDEVRYVVE RMEPRHYMMT PYYERYVIGV ATLMVEKGIL TQDELESLAG GPFPLSRPSE SEGRPAPVET TTFEVGQRVR VRDEYVPGHI RMPAYCRGRV GTISHRTTEK WPFPDAIGHG RNDAGEEPTY HVKFAAEELF GSDTDGGSVV VDLFEGYLEP AA // ID 1AHJE STANDARD; PRT; 207 AA. DT CONVERTED FROM PDB (SEQRES) 1AHJ DE NITRILE HYDRATASE (SUBUNIT ALPHA) OS Rhodococcus sp. R312 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.650 CC R-Factor 0.264 FT #SUB 11 11 ASN E 65 65 ARG F Protein A 8 FT #SUB 13 13 ALA E 69 69 MET F Protein S 2 FT #SUB 14 14 PRO E 69 69 MET F Protein S 1 FT #SUB 15 15 ALA E 102 102 PRO F Protein B 2 FT #SUB 15 15 ALA E 104 104 PRO F Protein B 2 FT #SUB 16 16 GLN E 66 66 HIS F Protein S 5 FT #SUB 16 16 GLN E 74 74 GLU F Protein S 1 FT #SUB 16 16 GLN E 78 78 ILE F Protein S 1 FT #SUB 16 16 GLN E 102 102 PRO F Protein B 2 FT #SUB 16 16 GLN E 104 104 PRO F Protein S 4 FT #SUB 17 17 ALA E 101 101 GLY F Protein S 2 FT #SUB 17 17 ALA E 102 102 PRO F Protein A 3 FT #SUB 19 19 VAL E 32 32 TRP F Protein S 3 FT #SUB 19 19 VAL E 74 74 GLU F Protein S 4 FT #SUB 20 20 SER E 31 31 GLU F Protein S 1 FT #SUB 21 21 ASP E 99 99 ALA F Protein A 5 FT #SUB 22 22 ARG E 74 74 GLU F Protein S 7 FT #SUB 22 22 ARG E 78 78 ILE F Protein S 1 FT #SUB 22 22 ARG E 102 102 PRO F Protein S 1 FT #SUB 22 22 ARG E 103 103 PHE F Protein A 7 FT #SUB 23 23 ALA E 32 32 TRP F Protein S 2 FT #SUB 23 23 ALA E 35 35 LEU F Protein B 1 FT #SUB 23 23 ALA E 77 77 VAL F Protein B 1 FT #SUB 24 24 TRP E 31 31 GLU F Protein S 4 FT #SUB 24 24 TRP E 35 35 LEU F Protein S 4 FT #SUB 25 25 ALA E 95 95 LEU F Protein A 2 FT #SUB 25 25 ALA E 98 98 LEU F Protein A 2 FT #SUB 25 25 ALA E 99 99 ALA F Protein S 3 FT #SUB 26 26 LEU E 77 77 VAL F Protein S 1 FT #SUB 26 26 LEU E 80 80 VAL F Protein S 1 FT #SUB 26 26 LEU E 81 81 ALA F Protein S 4 FT #SUB 26 26 LEU E 90 90 LEU F Protein S 1 FT #SUB 26 26 LEU E 95 95 LEU F Protein B 1 FT #SUB 29 29 ALA E 90 90 LEU F Protein S 1 FT #SUB 29 29 ALA E 98 98 LEU F Protein A 3 FT #SUB 30 30 LEU E 84 84 MET F Protein S 3 FT #SUB 33 33 LYS E 89 89 ILE F Protein S 1 FT #SUB 33 33 LYS E 94 94 GLU F Protein S 5 FT #SUB 35 35 LEU E 47 47 LEU F Protein A 2 FT #SUB 35 35 LEU E 89 89 ILE F Protein S 1 FT #SUB 37 37 PRO E 46 46 GLU F Protein S 2 FT #SUB 40 40 TYR E 41 41 PHE F Protein S 1 FT #SUB 40 40 TYR E 42 42 ALA F Protein S 3 FT #SUB 40 40 TYR E 46 46 GLU F Protein S 3 FT #SUB 41 41 VAL E 34 34 HIS F Protein S 2 FT #SUB 41 41 VAL E 35 35 LEU F Protein S 1 FT #SUB 41 41 VAL E 38 38 SER F Protein B 1 FT #SUB 44 44 TRP E 38 38 SER F Protein S 1 FT #SUB 44 44 TRP E 41 41 PHE F Protein S 10 FT #SUB 45 45 LYS E 28 28 PHE F Protein S 1 FT #SUB 45 45 LYS E 34 34 HIS F Protein S 3 FT #SUB 48 48 PHE E 28 28 PHE F Protein S 3 FT #SUB 48 48 PHE E 37 37 TYR F Protein S 2 FT #SUB 49 49 GLU E 28 28 PHE F Protein S 2 FT #SUB 90 90 PRO E 41 41 PHE F Protein S 1 FT #SUB 94 94 TYR E 155 155 HIS F Protein S 2 FT #SUB 94 94 TYR E 157 157 THR F Protein S 7 FT #SUB 94 94 TYR E 158 158 THR F Protein S 4 FT #SUB 94 94 TYR E 159 159 GLU F Protein S 1 FT #SUB 94 94 TYR E 161 161 TRP F Protein S 3 FT #SUB 111 111 SER E 5 5 HIS F Protein B 1 FT #SUB 111 111 SER E 8 8 ALA F Protein S 2 FT #SUB 112 112 LEU E 5 5 HIS F Protein S 1 FT #SUB 112 112 LEU E 6 6 ASP F Protein S 1 FT #SUB 112 112 LEU E 141 141 ARG F Protein S 7 FT #SUB 113 113 CYS E 56 56 ARG F Protein S 1 FT #SUB 113 113 CYS E 141 141 ARG F Protein S 1 FT #SUB 114 114 SER E 72 72 TYR F Protein S 6 FT #SUB 115 115 CYS E 56 56 ARG F Protein S 1 FT #SUB 115 115 CYS E 141 141 ARG F Protein S 1 FT #SUB 118 118 TRP E 37 37 TYR F Protein S 5 FT #SUB 118 118 TRP E 41 41 PHE F Protein S 2 FT #SUB 123 123 LEU E 27 27 THR F Protein S 1 FT #SUB 123 123 LEU E 28 28 PHE F Protein S 1 FT #SUB 123 123 LEU E 37 37 TYR F Protein S 1 FT #SUB 125 125 PRO E 24 24 ILE F Protein S 2 FT #SUB 127 127 TRP E 16 16 VAL F Protein A 2 FT #SUB 127 127 TRP E 17 17 PRO F Protein S 1 FT #SUB 127 127 TRP E 18 18 HIS F Protein S 20 FT #SUB 127 127 TRP E 24 24 ILE F Protein S 1 FT #SUB 129 129 LYS E 72 72 TYR F Protein S 9 FT #SUB 129 129 LYS E 73 73 TYR F Protein S 3 FT #SUB 131 131 PHE E 7 7 LEU F Protein A 4 FT #SUB 131 131 PHE E 13 13 PHE F Protein S 2 FT #SUB 131 131 PHE E 67 67 TYR F Protein S 4 FT #SUB 131 131 PHE E 68 68 MET F Protein S 3 FT #SUB 131 131 PHE E 75 75 ARG F Protein S 3 FT #SUB 132 132 GLU E 13 13 PHE F Protein S 1 FT #SUB 132 132 GLU E 14 14 GLY F Protein S 1 FT #SUB 132 132 GLU E 15 15 LYS F Protein S 1 FT #SUB 132 132 GLU E 16 16 VAL F Protein S 1 FT #SUB 132 132 GLU E 17 17 PRO F Protein S 2 FT #SUB 133 133 TYR E 16 16 VAL F Protein B 2 FT #SUB 134 134 ARG E 5 5 HIS F Protein S 2 FT #SUB 134 134 ARG E 7 7 LEU F Protein S 1 FT #SUB 134 134 ARG E 8 8 ALA F Protein B 1 FT #SUB 134 134 ARG E 67 67 TYR F Protein S 3 FT #SUB 134 134 ARG E 75 75 ARG F Protein S 1 FT #SUB 135 135 ALA E 7 7 LEU F Protein A 5 FT #SUB 135 135 ALA E 8 8 ALA F Protein B 1 FT #SUB 135 135 ALA E 9 9 GLY F Protein B 2 FT #SUB 135 135 ALA E 10 10 VAL F Protein S 1 FT #SUB 135 135 ALA E 13 13 PHE F Protein S 1 FT #SUB 136 136 ARG E 13 13 PHE F Protein S 2 FT #SUB 136 136 ARG E 14 14 GLY F Protein S 3 FT #SUB 136 136 ARG E 15 15 LYS F Protein S 2 FT #SUB 136 136 ARG E 16 16 VAL F Protein S 1 FT #SUB 138 138 VAL E 8 8 ALA F Protein S 1 FT #SUB 138 138 VAL E 145 145 TYR F Protein S 2 FT #SUB 138 138 VAL E 190 190 PHE F Protein A 2 FT #SUB 138 138 VAL E 199 199 VAL F Protein B 1 FT #SUB 139 139 ARG E 9 9 GLY F Protein S 3 FT #SUB 139 139 ARG E 11 11 GLN F Protein S 10 FT #SUB 139 139 ARG E 190 190 PHE F Protein A 9 FT #SUB 139 139 ARG E 193 193 ASP F Protein S 7 FT #SUB 139 139 ARG E 194 194 THR F Protein B 3 FT #SUB 139 139 ARG E 195 195 ASP F Protein B 1 FT #SUB 140 140 GLU E 195 195 ASP F Protein A 2 FT #SUB 141 141 PRO E 195 195 ASP F Protein S 4 FT #SUB 141 141 PRO E 196 196 GLY F Protein S 3 FT #SUB 142 142 ARG E 195 195 ASP F Protein A 11 FT #SUB 143 143 LYS E 195 195 ASP F Protein A 6 FT #SUB 144 144 VAL E 16 16 VAL F Protein S 1 FT #SUB 147 147 GLU E 15 15 LYS F Protein S 2 FT #SUB 148 148 MET E 18 18 HIS F Protein A 7 FT #SUB 148 148 MET E 19 19 THR F Protein B 4 FT #SUB 148 148 MET E 20 20 VAL F Protein B 6 FT #SUB 150 150 THR E 20 20 VAL F Protein S 1 FT #SUB 157 157 GLU E 198 198 SER F Protein S 3 FT #SUB 158 158 ILE E 197 197 GLY F Protein B 3 FT #SUB 158 158 ILE E 198 198 SER F Protein B 2 FT #SUB 159 159 ARG E 183 183 LYS F Protein S 1 FT #SUB 159 159 ARG E 198 198 SER F Protein A 5 FT #SUB 159 159 ARG E 200 200 VAL F Protein S 2 FT #SUB 160 160 VAL E 198 198 SER F Protein A 2 FT #SUB 160 160 VAL E 199 199 VAL F Protein A 6 FT #SUB 160 160 VAL E 200 200 VAL F Protein B 3 FT #SUB 161 161 TYR E 200 200 VAL F Protein A 6 FT #SUB 162 162 ASP E 143 143 PRO F Protein S 1 FT #SUB 162 162 ASP E 145 145 TYR F Protein S 3 FT #SUB 162 162 ASP E 200 200 VAL F Protein A 4 FT #SUB 162 162 ASP E 202 202 ASP F Protein B 1 FT #SUB 164 164 THR E 141 141 ARG F Protein A 8 FT #SUB 164 164 THR E 143 143 PRO F Protein S 2 FT #SUB 164 164 THR E 201 201 VAL F Protein S 1 FT #SUB 164 164 THR E 202 202 ASP F Protein S 6 FT #SUB 165 165 ALA E 179 179 THR F Protein S 1 FT #SUB 165 165 ALA E 202 202 ASP F Protein A 7 FT #SUB 165 165 ALA E 204 204 PHE F Protein S 1 FT #SUB 166 166 GLU E 161 161 TRP F Protein S 8 FT #SUB 167 167 THR E 181 181 HIS F Protein S 4 FT #SUB 167 167 THR E 202 202 ASP F Protein A 5 FT #SUB 168 168 ARG E 56 56 ARG F Protein S 1 FT #SUB 169 169 TYR E 181 181 HIS F Protein S 9 FT #SUB 192 192 THR E 21 21 ASP F Protein S 5 FT #SUB 194 194 ASP E 18 18 HIS F Protein S 4 FT #SUB 194 194 ASP E 21 21 ASP F Protein S 6 FT #SUB 199 199 VAL E 20 20 VAL F Protein A 2 FT #SUB 200 200 ALA E 20 20 VAL F Protein S 2 FT #SUB 200 200 ALA E 21 21 ASP F Protein S 1 FT #HET 110 110 CYS E 3 208 FE E S 2 FT #HET 113 113 CYS E 3 208 FE E A 4 FT #HET 114 114 SER E 3 208 FE E A 6 FT #HET 115 115 CYS E 3 208 FE E A 4 FT DISORDER 1 9 CC SEQUENCE 198 AA (ATOM); CC ENAAPAQAAV SDRAWALFRA LDGKGLVPDG YVEGWKKTFE EDFSPRRGAE LVARAWTDPE CC FRQLLLTDGT AAVAQYGYLG PQGEYIVAVE DTPTLKNVIV CSLCSCTAWP ILGLPPTWYK CC SFEYRARVVR EPRKVLSEMG TEIASDIEIR VYDTTAETRY MVLPQRPAGT EGWSQEQLQE CC IVTKDCLIGV AIPQVPTV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSVTIDHTTENAAPAQAAVSDRAWALFRALDGKGLVPDGYVEGWKKTFEE CC ATOM ---------ENAAPAQAAVSDRAWALFRALDGKGLVPDGYVEGWKKTFEE CC ***************************************** CC SEQRES DFSPRRGAELVARAWTDPEFRQLLLTDGTAAVAQYGYLGPQGEYIVAVED CC ATOM DFSPRRGAELVARAWTDPEFRQLLLTDGTAAVAQYGYLGPQGEYIVAVED CC ************************************************** CC SEQRES TPTLKNVIVCSLCSCTAWPILGLPPTWYKSFEYRARVVREPRKVLSEMGT CC ATOM TPTLKNVIVCSLCSCTAWPILGLPPTWYKSFEYRARVVREPRKVLSEMGT CC ************************************************** CC SEQRES EIASDIEIRVYDTTAETRYMVLPQRPAGTEGWSQEQLQEIVTKDCLIGVA CC ATOM EIASDIEIRVYDTTAETRYMVLPQRPAGTEGWSQEQLQEIVTKDCLIGVA CC ************************************************** CC SEQRES IPQVPTV CC ATOM IPQVPTV CC ******* SQ SEQUENCE 207 AA; MW; CN; MSVTIDHTTE NAAPAQAAVS DRAWALFRAL DGKGLVPDGY VEGWKKTFEE DFSPRRGAEL VARAWTDPEF RQLLLTDGTA AVAQYGYLGP QGEYIVAVED TPTLKNVIVC SLCSCTAWPI LGLPPTWYKS FEYRARVVRE PRKVLSEMGT EIASDIEIRV YDTTAETRYM VLPQRPAGTE GWSQEQLQEI VTKDCLIGVA IPQVPTV // ID 1AHJF STANDARD; PRT; 212 AA. DT CONVERTED FROM PDB (SEQRES) 1AHJ DE NITRILE HYDRATASE (SUBUNIT BETA) OS Rhodococcus sp. R312 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.650 CC R-Factor 0.264 FT #SUB 5 5 HIS F 111 111 SER E Protein B 1 FT #SUB 5 5 HIS F 112 112 LEU E Protein S 1 FT #SUB 5 5 HIS F 134 134 ARG E Protein B 2 FT #SUB 6 6 ASP F 112 112 LEU E Protein S 1 FT #SUB 7 7 LEU F 131 131 PHE E Protein S 4 FT #SUB 7 7 LEU F 134 134 ARG E Protein S 1 FT #SUB 7 7 LEU F 135 135 ALA E Protein A 5 FT #SUB 8 8 ALA F 111 111 SER E Protein S 2 FT #SUB 8 8 ALA F 134 134 ARG E Protein B 1 FT #SUB 8 8 ALA F 135 135 ALA E Protein B 1 FT #SUB 8 8 ALA F 138 138 VAL E Protein S 1 FT #SUB 9 9 GLY F 135 135 ALA E Protein B 2 FT #SUB 9 9 GLY F 139 139 ARG E Protein B 3 FT #SUB 10 10 VAL F 135 135 ALA E Protein B 1 FT #SUB 11 11 GLN F 139 139 ARG E Protein S 10 FT #SUB 13 13 PHE F 131 131 PHE E Protein S 2 FT #SUB 13 13 PHE F 132 132 GLU E Protein S 1 FT #SUB 13 13 PHE F 135 135 ALA E Protein S 1 FT #SUB 13 13 PHE F 136 136 ARG E Protein B 2 FT #SUB 14 14 GLY F 132 132 GLU E Protein B 1 FT #SUB 14 14 GLY F 136 136 ARG E Protein B 3 FT #SUB 15 15 LYS F 132 132 GLU E Protein B 1 FT #SUB 15 15 LYS F 136 136 ARG E Protein A 2 FT #SUB 15 15 LYS F 147 147 GLU E Protein S 2 FT #SUB 16 16 VAL F 127 127 TRP E Protein S 2 FT #SUB 16 16 VAL F 132 132 GLU E Protein B 1 FT #SUB 16 16 VAL F 133 133 TYR E Protein S 2 FT #SUB 16 16 VAL F 136 136 ARG E Protein B 1 FT #SUB 16 16 VAL F 144 144 VAL E Protein S 1 FT #SUB 17 17 PRO F 127 127 TRP E Protein B 1 FT #SUB 17 17 PRO F 132 132 GLU E Protein S 2 FT #SUB 18 18 HIS F 127 127 TRP E Protein S 20 FT #SUB 18 18 HIS F 148 148 MET E Protein A 7 FT #SUB 18 18 HIS F 194 194 ASP E Protein S 4 FT #SUB 19 19 THR F 148 148 MET E Protein A 4 FT #SUB 20 20 VAL F 148 148 MET E Protein A 6 FT #SUB 20 20 VAL F 150 150 THR E Protein S 1 FT #SUB 20 20 VAL F 199 199 VAL E Protein S 2 FT #SUB 20 20 VAL F 200 200 ALA E Protein S 2 FT #SUB 21 21 ASP F 192 192 THR E Protein S 5 FT #SUB 21 21 ASP F 194 194 ASP E Protein A 6 FT #SUB 21 21 ASP F 200 200 ALA E Protein S 1 FT #SUB 24 24 ILE F 125 125 PRO E Protein S 2 FT #SUB 24 24 ILE F 127 127 TRP E Protein S 1 FT #SUB 27 27 THR F 123 123 LEU E Protein S 1 FT #SUB 28 28 PHE F 45 45 LYS E Protein S 1 FT #SUB 28 28 PHE F 48 48 PHE E Protein S 3 FT #SUB 28 28 PHE F 49 49 GLU E Protein S 2 FT #SUB 28 28 PHE F 123 123 LEU E Protein S 1 FT #SUB 31 31 GLU F 20 20 SER E Protein S 1 FT #SUB 31 31 GLU F 24 24 TRP E Protein S 4 FT #SUB 32 32 TRP F 19 19 VAL E Protein S 3 FT #SUB 32 32 TRP F 23 23 ALA E Protein S 2 FT #SUB 34 34 HIS F 41 41 VAL E Protein S 2 FT #SUB 34 34 HIS F 45 45 LYS E Protein S 3 FT #SUB 35 35 LEU F 23 23 ALA E Protein S 1 FT #SUB 35 35 LEU F 24 24 TRP E Protein S 4 FT #SUB 35 35 LEU F 41 41 VAL E Protein S 1 FT #SUB 37 37 TYR F 48 48 PHE E Protein S 2 FT #SUB 37 37 TYR F 118 118 TRP E Protein S 5 FT #SUB 37 37 TYR F 123 123 LEU E Protein S 1 FT #SUB 38 38 SER F 41 41 VAL E Protein S 1 FT #SUB 38 38 SER F 44 44 TRP E Protein S 1 FT #SUB 41 41 PHE F 40 40 TYR E Protein B 1 FT #SUB 41 41 PHE F 44 44 TRP E Protein S 10 FT #SUB 41 41 PHE F 90 90 PRO E Protein S 1 FT #SUB 41 41 PHE F 118 118 TRP E Protein S 2 FT #SUB 42 42 ALA F 40 40 TYR E Protein A 3 FT #SUB 46 46 GLU F 37 37 PRO E Protein S 2 FT #SUB 46 46 GLU F 40 40 TYR E Protein S 3 FT #SUB 47 47 LEU F 35 35 LEU E Protein S 2 FT #SUB 56 56 ARG F 113 113 CYS E Protein S 1 FT #SUB 56 56 ARG F 115 115 CYS E Protein S 1 FT #SUB 56 56 ARG F 168 168 ARG E Protein S 1 FT #SUB 65 65 ARG F 11 11 ASN E Protein S 8 FT #SUB 66 66 HIS F 16 16 GLN E Protein S 5 FT #SUB 67 67 TYR F 131 131 PHE E Protein A 4 FT #SUB 67 67 TYR F 134 134 ARG E Protein S 3 FT #SUB 68 68 MET F 131 131 PHE E Protein A 3 FT #SUB 69 69 MET F 13 13 ALA E Protein S 2 FT #SUB 69 69 MET F 14 14 PRO E Protein S 1 FT #SUB 72 72 TYR F 114 114 SER E Protein S 6 FT #SUB 72 72 TYR F 129 129 LYS E Protein S 9 FT #SUB 73 73 TYR F 129 129 LYS E Protein S 3 FT #SUB 74 74 GLU F 16 16 GLN E Protein S 1 FT #SUB 74 74 GLU F 19 19 VAL E Protein S 4 FT #SUB 74 74 GLU F 22 22 ARG E Protein S 7 FT #SUB 75 75 ARG F 131 131 PHE E Protein S 3 FT #SUB 75 75 ARG F 134 134 ARG E Protein S 1 FT #SUB 77 77 VAL F 23 23 ALA E Protein S 1 FT #SUB 77 77 VAL F 26 26 LEU E Protein B 1 FT #SUB 78 78 ILE F 16 16 GLN E Protein S 1 FT #SUB 78 78 ILE F 22 22 ARG E Protein S 1 FT #SUB 80 80 VAL F 26 26 LEU E Protein S 1 FT #SUB 81 81 ALA F 26 26 LEU E Protein A 4 FT #SUB 84 84 MET F 30 30 LEU E Protein S 3 FT #SUB 89 89 ILE F 33 33 LYS E Protein B 1 FT #SUB 89 89 ILE F 35 35 LEU E Protein S 1 FT #SUB 90 90 LEU F 26 26 LEU E Protein S 1 FT #SUB 90 90 LEU F 29 29 ALA E Protein S 1 FT #SUB 94 94 GLU F 33 33 LYS E Protein S 5 FT #SUB 95 95 LEU F 25 25 ALA E Protein A 2 FT #SUB 95 95 LEU F 26 26 LEU E Protein S 1 FT #SUB 98 98 LEU F 25 25 ALA E Protein S 2 FT #SUB 98 98 LEU F 29 29 ALA E Protein S 3 FT #SUB 99 99 ALA F 21 21 ASP E Protein A 5 FT #SUB 99 99 ALA F 25 25 ALA E Protein A 3 FT #SUB 101 101 GLY F 17 17 ALA E Protein B 2 FT #SUB 102 102 PRO F 15 15 ALA E Protein S 2 FT #SUB 102 102 PRO F 16 16 GLN E Protein B 2 FT #SUB 102 102 PRO F 17 17 ALA E Protein B 3 FT #SUB 102 102 PRO F 22 22 ARG E Protein B 1 FT #SUB 103 103 PHE F 22 22 ARG E Protein S 7 FT #SUB 104 104 PRO F 15 15 ALA E Protein S 2 FT #SUB 104 104 PRO F 16 16 GLN E Protein S 4 FT #SUB 141 141 ARG F 112 112 LEU E Protein S 7 FT #SUB 141 141 ARG F 113 113 CYS E Protein S 1 FT #SUB 141 141 ARG F 115 115 CYS E Protein S 1 FT #SUB 141 141 ARG F 164 164 THR E Protein A 8 FT #SUB 143 143 PRO F 162 162 ASP E Protein S 1 FT #SUB 143 143 PRO F 164 164 THR E Protein S 2 FT #SUB 145 145 TYR F 138 138 VAL E Protein S 2 FT #SUB 145 145 TYR F 162 162 ASP E Protein S 3 FT #SUB 155 155 HIS F 94 94 TYR E Protein S 2 FT #SUB 157 157 THR F 94 94 TYR E Protein A 7 FT #SUB 158 158 THR F 94 94 TYR E Protein A 4 FT #SUB 159 159 GLU F 94 94 TYR E Protein S 1 FT #SUB 161 161 TRP F 94 94 TYR E Protein S 3 FT #SUB 161 161 TRP F 166 166 GLU E Protein S 8 FT #SUB 179 179 THR F 165 165 ALA E Protein S 1 FT #SUB 181 181 HIS F 167 167 THR E Protein S 4 FT #SUB 181 181 HIS F 169 169 TYR E Protein S 9 FT #SUB 183 183 LYS F 159 159 ARG E Protein S 1 FT #SUB 190 190 PHE F 138 138 VAL E Protein S 2 FT #SUB 190 190 PHE F 139 139 ARG E Protein S 9 FT #SUB 193 193 ASP F 139 139 ARG E Protein A 7 FT #SUB 194 194 THR F 139 139 ARG E Protein A 3 FT #SUB 195 195 ASP F 139 139 ARG E Protein B 1 FT #SUB 195 195 ASP F 140 140 GLU E Protein S 2 FT #SUB 195 195 ASP F 141 141 PRO E Protein B 4 FT #SUB 195 195 ASP F 142 142 ARG E Protein A 11 FT #SUB 195 195 ASP F 143 143 LYS E Protein S 6 FT #SUB 196 196 GLY F 141 141 PRO E Protein B 3 FT #SUB 197 197 GLY F 158 158 ILE E Protein B 3 FT #SUB 198 198 SER F 157 157 GLU E Protein S 3 FT #SUB 198 198 SER F 158 158 ILE E Protein B 2 FT #SUB 198 198 SER F 159 159 ARG E Protein A 5 FT #SUB 198 198 SER F 160 160 VAL E Protein B 2 FT #SUB 199 199 VAL F 138 138 VAL E Protein S 1 FT #SUB 199 199 VAL F 160 160 VAL E Protein A 6 FT #SUB 200 200 VAL F 159 159 ARG E Protein S 2 FT #SUB 200 200 VAL F 160 160 VAL E Protein B 3 FT #SUB 200 200 VAL F 161 161 TYR E Protein A 6 FT #SUB 200 200 VAL F 162 162 ASP E Protein B 4 FT #SUB 201 201 VAL F 164 164 THR E Protein S 1 FT #SUB 202 202 ASP F 162 162 ASP E Protein B 1 FT #SUB 202 202 ASP F 164 164 THR E Protein A 6 FT #SUB 202 202 ASP F 165 165 ALA E Protein A 7 FT #SUB 202 202 ASP F 167 167 THR E Protein S 5 FT #SUB 204 204 PHE F 165 165 ALA E Protein S 1 CC SEQUENCE 212 AA (ATOM); CC MDGVHDLAGV QGFGKVPHTV DADIGPTFHA EWEHLPYSLM FAGVAELGAF SVDEVRYVVE CC RMEPRHYMMT PYYERYVIGV ATLMVEKGIL TQDELESLAG GPFPLSRPSE SEGRPAPVET CC TTFEVGQRVR VRDEYVPGHI RMPAYCRGRV GTISHRTTEK WPFPDAIGHG RNDAGEEPTY CC HVKFAAEELF GSDTDGGSVV VDLFEGYLEP AA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDGVHDLAGVQGFGKVPHTVDADIGPTFHAEWEHLPYSLMFAGVAELGAF CC ATOM MDGVHDLAGVQGFGKVPHTVDADIGPTFHAEWEHLPYSLMFAGVAELGAF CC ************************************************** CC SEQRES SVDEVRYVVERMEPRHYMMTPYYERYVIGVATLMVEKGILTQDELESLAG CC ATOM SVDEVRYVVERMEPRHYMMTPYYERYVIGVATLMVEKGILTQDELESLAG CC ************************************************** CC SEQRES GPFPLSRPSESEGRPAPVETTTFEVGQRVRVRDEYVPGHIRMPAYCRGRV CC ATOM GPFPLSRPSESEGRPAPVETTTFEVGQRVRVRDEYVPGHIRMPAYCRGRV CC ************************************************** CC SEQRES GTISHRTTEKWPFPDAIGHGRNDAGEEPTYHVKFAAEELFGSDTDGGSVV CC ATOM GTISHRTTEKWPFPDAIGHGRNDAGEEPTYHVKFAAEELFGSDTDGGSVV CC ************************************************** CC SEQRES VDLFEGYLEPAA CC ATOM VDLFEGYLEPAA CC ************ SQ SEQUENCE 212 AA; MW; CN; MDGVHDLAGV QGFGKVPHTV DADIGPTFHA EWEHLPYSLM FAGVAELGAF SVDEVRYVVE RMEPRHYMMT PYYERYVIGV ATLMVEKGIL TQDELESLAG GPFPLSRPSE SEGRPAPVET TTFEVGQRVR VRDEYVPGHI RMPAYCRGRV GTISHRTTEK WPFPDAIGHG RNDAGEEPTY HVKFAAEELF GSDTDGGSVV VDLFEGYLEP AA // ID 1AHJG STANDARD; PRT; 207 AA. DT CONVERTED FROM PDB (SEQRES) 1AHJ DE NITRILE HYDRATASE (SUBUNIT ALPHA) OS Rhodococcus sp. R312 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.650 CC R-Factor 0.264 FT #SUB 206 206 THR G 87 87 TYR C Protein B 1 FT #SUB 207 207 VAL G 85 85 TYR C Protein B 1 FT #SUB 11 11 ASN G 65 65 ARG H Protein S 6 FT #SUB 13 13 ALA G 69 69 MET H Protein S 2 FT #SUB 14 14 PRO G 69 69 MET H Protein S 1 FT #SUB 15 15 ALA G 102 102 PRO H Protein B 2 FT #SUB 15 15 ALA G 104 104 PRO H Protein B 1 FT #SUB 16 16 GLN G 66 66 HIS H Protein S 4 FT #SUB 16 16 GLN G 69 69 MET H Protein S 1 FT #SUB 16 16 GLN G 102 102 PRO H Protein B 1 FT #SUB 16 16 GLN G 104 104 PRO H Protein S 3 FT #SUB 17 17 ALA G 101 101 GLY H Protein S 1 FT #SUB 17 17 ALA G 102 102 PRO H Protein A 2 FT #SUB 19 19 VAL G 32 32 TRP H Protein S 2 FT #SUB 19 19 VAL G 74 74 GLU H Protein S 4 FT #SUB 20 20 SER G 31 31 GLU H Protein S 1 FT #SUB 21 21 ASP G 99 99 ALA H Protein A 3 FT #SUB 22 22 ARG G 74 74 GLU H Protein S 6 FT #SUB 22 22 ARG G 78 78 ILE H Protein S 2 FT #SUB 22 22 ARG G 102 102 PRO H Protein S 1 FT #SUB 22 22 ARG G 103 103 PHE H Protein A 9 FT #SUB 23 23 ALA G 32 32 TRP H Protein S 2 FT #SUB 23 23 ALA G 35 35 LEU H Protein B 1 FT #SUB 24 24 TRP G 31 31 GLU H Protein S 4 FT #SUB 24 24 TRP G 35 35 LEU H Protein S 4 FT #SUB 25 25 ALA G 95 95 LEU H Protein A 2 FT #SUB 25 25 ALA G 98 98 LEU H Protein A 2 FT #SUB 25 25 ALA G 99 99 ALA H Protein S 3 FT #SUB 26 26 LEU G 39 39 LEU H Protein S 2 FT #SUB 26 26 LEU G 77 77 VAL H Protein S 1 FT #SUB 26 26 LEU G 80 80 VAL H Protein S 1 FT #SUB 26 26 LEU G 81 81 ALA H Protein S 2 FT #SUB 26 26 LEU G 90 90 LEU H Protein S 1 FT #SUB 26 26 LEU G 95 95 LEU H Protein B 1 FT #SUB 29 29 ALA G 90 90 LEU H Protein S 1 FT #SUB 29 29 ALA G 98 98 LEU H Protein A 3 FT #SUB 30 30 LEU G 39 39 LEU H Protein S 1 FT #SUB 30 30 LEU G 84 84 MET H Protein S 3 FT #SUB 33 33 LYS G 89 89 ILE H Protein S 1 FT #SUB 33 33 LYS G 90 90 LEU H Protein S 1 FT #SUB 33 33 LYS G 94 94 GLU H Protein S 6 FT #SUB 35 35 LEU G 47 47 LEU H Protein A 2 FT #SUB 35 35 LEU G 89 89 ILE H Protein S 1 FT #SUB 37 37 PRO G 46 46 GLU H Protein S 2 FT #SUB 40 40 TYR G 38 38 SER H Protein S 1 FT #SUB 40 40 TYR G 41 41 PHE H Protein S 3 FT #SUB 40 40 TYR G 42 42 ALA H Protein S 4 FT #SUB 40 40 TYR G 46 46 GLU H Protein S 3 FT #SUB 41 41 VAL G 34 34 HIS H Protein S 2 FT #SUB 41 41 VAL G 35 35 LEU H Protein S 1 FT #SUB 41 41 VAL G 38 38 SER H Protein B 1 FT #SUB 44 44 TRP G 38 38 SER H Protein S 1 FT #SUB 44 44 TRP G 41 41 PHE H Protein S 7 FT #SUB 45 45 LYS G 34 34 HIS H Protein S 1 FT #SUB 48 48 PHE G 28 28 PHE H Protein S 3 FT #SUB 48 48 PHE G 37 37 TYR H Protein S 2 FT #SUB 49 49 GLU G 28 28 PHE H Protein S 3 FT #SUB 90 90 PRO G 41 41 PHE H Protein S 1 FT #SUB 94 94 TYR G 155 155 HIS H Protein S 2 FT #SUB 94 94 TYR G 157 157 THR H Protein S 7 FT #SUB 94 94 TYR G 158 158 THR H Protein S 4 FT #SUB 94 94 TYR G 159 159 GLU H Protein S 1 FT #SUB 94 94 TYR G 161 161 TRP H Protein S 5 FT #SUB 111 111 SER G 5 5 HIS H Protein B 1 FT #SUB 111 111 SER G 8 8 ALA H Protein S 2 FT #SUB 112 112 LEU G 5 5 HIS H Protein A 2 FT #SUB 112 112 LEU G 6 6 ASP H Protein S 1 FT #SUB 112 112 LEU G 141 141 ARG H Protein S 5 FT #SUB 112 112 LEU G 143 143 PRO H Protein S 1 FT #SUB 113 113 CYS G 56 56 ARG H Protein S 1 FT #SUB 113 113 CYS G 76 76 TYR H Protein S 1 FT #SUB 113 113 CYS G 141 141 ARG H Protein S 1 FT #SUB 114 114 SER G 72 72 TYR H Protein S 6 FT #SUB 115 115 CYS G 56 56 ARG H Protein S 2 FT #SUB 118 118 TRP G 37 37 TYR H Protein S 7 FT #SUB 118 118 TRP G 41 41 PHE H Protein S 2 FT #SUB 123 123 LEU G 27 27 THR H Protein S 1 FT #SUB 123 123 LEU G 28 28 PHE H Protein S 2 FT #SUB 123 123 LEU G 37 37 TYR H Protein S 1 FT #SUB 123 123 LEU G 73 73 TYR H Protein S 1 FT #SUB 125 125 PRO G 24 24 ILE H Protein S 2 FT #SUB 127 127 TRP G 16 16 VAL H Protein A 2 FT #SUB 127 127 TRP G 18 18 HIS H Protein S 20 FT #SUB 129 129 LYS G 72 72 TYR H Protein S 7 FT #SUB 129 129 LYS G 73 73 TYR H Protein S 3 FT #SUB 131 131 PHE G 7 7 LEU H Protein A 4 FT #SUB 131 131 PHE G 13 13 PHE H Protein S 2 FT #SUB 131 131 PHE G 67 67 TYR H Protein S 3 FT #SUB 131 131 PHE G 68 68 MET H Protein S 3 FT #SUB 131 131 PHE G 75 75 ARG H Protein S 3 FT #SUB 132 132 GLU G 13 13 PHE H Protein A 3 FT #SUB 132 132 GLU G 14 14 GLY H Protein S 1 FT #SUB 132 132 GLU G 15 15 LYS H Protein S 1 FT #SUB 133 133 TYR G 16 16 VAL H Protein A 3 FT #SUB 134 134 ARG G 5 5 HIS H Protein S 3 FT #SUB 134 134 ARG G 7 7 LEU H Protein S 3 FT #SUB 134 134 ARG G 8 8 ALA H Protein B 2 FT #SUB 134 134 ARG G 67 67 TYR H Protein S 3 FT #SUB 134 134 ARG G 75 75 ARG H Protein S 1 FT #SUB 135 135 ALA G 7 7 LEU H Protein A 4 FT #SUB 135 135 ALA G 8 8 ALA H Protein B 2 FT #SUB 135 135 ALA G 9 9 GLY H Protein B 2 FT #SUB 135 135 ALA G 10 10 VAL H Protein S 1 FT #SUB 135 135 ALA G 13 13 PHE H Protein S 1 FT #SUB 136 136 ARG G 13 13 PHE H Protein S 1 FT #SUB 136 136 ARG G 14 14 GLY H Protein S 4 FT #SUB 136 136 ARG G 15 15 LYS H Protein S 1 FT #SUB 138 138 VAL G 8 8 ALA H Protein S 1 FT #SUB 138 138 VAL G 145 145 TYR H Protein S 2 FT #SUB 138 138 VAL G 190 190 PHE H Protein A 2 FT #SUB 138 138 VAL G 199 199 VAL H Protein B 1 FT #SUB 139 139 ARG G 9 9 GLY H Protein S 4 FT #SUB 139 139 ARG G 11 11 GLN H Protein S 6 FT #SUB 139 139 ARG G 190 190 PHE H Protein A 6 FT #SUB 139 139 ARG G 193 193 ASP H Protein S 7 FT #SUB 139 139 ARG G 194 194 THR H Protein B 3 FT #SUB 139 139 ARG G 195 195 ASP H Protein B 1 FT #SUB 140 140 GLU G 195 195 ASP H Protein A 2 FT #SUB 141 141 PRO G 195 195 ASP H Protein S 2 FT #SUB 141 141 PRO G 196 196 GLY H Protein S 2 FT #SUB 142 142 ARG G 195 195 ASP H Protein A 11 FT #SUB 143 143 LYS G 195 195 ASP H Protein A 4 FT #SUB 144 144 VAL G 16 16 VAL H Protein S 1 FT #SUB 147 147 GLU G 15 15 LYS H Protein S 3 FT #SUB 148 148 MET G 18 18 HIS H Protein A 3 FT #SUB 148 148 MET G 19 19 THR H Protein B 4 FT #SUB 148 148 MET G 20 20 VAL H Protein B 6 FT #SUB 150 150 THR G 20 20 VAL H Protein S 1 FT #SUB 157 157 GLU G 198 198 SER H Protein S 3 FT #SUB 158 158 ILE G 197 197 GLY H Protein B 3 FT #SUB 158 158 ILE G 198 198 SER H Protein B 3 FT #SUB 159 159 ARG G 183 183 LYS H Protein S 4 FT #SUB 159 159 ARG G 198 198 SER H Protein A 5 FT #SUB 159 159 ARG G 200 200 VAL H Protein S 2 FT #SUB 160 160 VAL G 198 198 SER H Protein A 2 FT #SUB 160 160 VAL G 199 199 VAL H Protein A 7 FT #SUB 160 160 VAL G 200 200 VAL H Protein B 4 FT #SUB 161 161 TYR G 200 200 VAL H Protein A 8 FT #SUB 162 162 ASP G 143 143 PRO H Protein S 1 FT #SUB 162 162 ASP G 145 145 TYR H Protein S 4 FT #SUB 162 162 ASP G 200 200 VAL H Protein B 3 FT #SUB 162 162 ASP G 202 202 ASP H Protein B 1 FT #SUB 164 164 THR G 141 141 ARG H Protein A 8 FT #SUB 164 164 THR G 143 143 PRO H Protein S 2 FT #SUB 164 164 THR G 201 201 VAL H Protein S 1 FT #SUB 164 164 THR G 202 202 ASP H Protein S 6 FT #SUB 165 165 ALA G 179 179 THR H Protein S 1 FT #SUB 165 165 ALA G 202 202 ASP H Protein A 6 FT #SUB 165 165 ALA G 204 204 PHE H Protein S 1 FT #SUB 166 166 GLU G 161 161 TRP H Protein S 8 FT #SUB 166 166 GLU G 202 202 ASP H Protein B 1 FT #SUB 167 167 THR G 157 157 THR H Protein S 1 FT #SUB 167 167 THR G 181 181 HIS H Protein S 4 FT #SUB 167 167 THR G 202 202 ASP H Protein A 5 FT #SUB 168 168 ARG G 56 56 ARG H Protein S 1 FT #SUB 169 169 TYR G 181 181 HIS H Protein S 8 FT #SUB 192 192 THR G 21 21 ASP H Protein S 3 FT #SUB 194 194 ASP G 18 18 HIS H Protein S 5 FT #SUB 194 194 ASP G 20 20 VAL H Protein S 2 FT #SUB 194 194 ASP G 21 21 ASP H Protein S 5 FT #SUB 199 199 VAL G 20 20 VAL H Protein A 2 FT #SUB 200 200 ALA G 20 20 VAL H Protein S 2 FT #SUB 200 200 ALA G 21 21 ASP H Protein S 1 FT #HET 110 110 CYS G 4 208 FE G S 2 FT #HET 113 113 CYS G 4 208 FE G A 5 FT #HET 114 114 SER G 4 208 FE G A 6 FT #HET 115 115 CYS G 4 208 FE G A 4 FT DISORDER 1 9 CC SEQUENCE 198 AA (ATOM); CC ENAAPAQAAV SDRAWALFRA LDGKGLVPDG YVEGWKKTFE EDFSPRRGAE LVARAWTDPE CC FRQLLLTDGT AAVAQYGYLG PQGEYIVAVE DTPTLKNVIV CSLCSCTAWP ILGLPPTWYK CC SFEYRARVVR EPRKVLSEMG TEIASDIEIR VYDTTAETRY MVLPQRPAGT EGWSQEQLQE CC IVTKDCLIGV AIPQVPTV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSVTIDHTTENAAPAQAAVSDRAWALFRALDGKGLVPDGYVEGWKKTFEE CC ATOM ---------ENAAPAQAAVSDRAWALFRALDGKGLVPDGYVEGWKKTFEE CC ***************************************** CC SEQRES DFSPRRGAELVARAWTDPEFRQLLLTDGTAAVAQYGYLGPQGEYIVAVED CC ATOM DFSPRRGAELVARAWTDPEFRQLLLTDGTAAVAQYGYLGPQGEYIVAVED CC ************************************************** CC SEQRES TPTLKNVIVCSLCSCTAWPILGLPPTWYKSFEYRARVVREPRKVLSEMGT CC ATOM TPTLKNVIVCSLCSCTAWPILGLPPTWYKSFEYRARVVREPRKVLSEMGT CC ************************************************** CC SEQRES EIASDIEIRVYDTTAETRYMVLPQRPAGTEGWSQEQLQEIVTKDCLIGVA CC ATOM EIASDIEIRVYDTTAETRYMVLPQRPAGTEGWSQEQLQEIVTKDCLIGVA CC ************************************************** CC SEQRES IPQVPTV CC ATOM IPQVPTV CC ******* SQ SEQUENCE 207 AA; MW; CN; MSVTIDHTTE NAAPAQAAVS DRAWALFRAL DGKGLVPDGY VEGWKKTFEE DFSPRRGAEL VARAWTDPEF RQLLLTDGTA AVAQYGYLGP QGEYIVAVED TPTLKNVIVC SLCSCTAWPI LGLPPTWYKS FEYRARVVRE PRKVLSEMGT EIASDIEIRV YDTTAETRYM VLPQRPAGTE GWSQEQLQEI VTKDCLIGVA IPQVPTV // ID 1AHJH STANDARD; PRT; 212 AA. DT CONVERTED FROM PDB (SEQRES) 1AHJ DE NITRILE HYDRATASE (SUBUNIT BETA) OS Rhodococcus sp. R312 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.650 CC R-Factor 0.264 FT #SUB 5 5 HIS H 111 111 SER G Protein B 1 FT #SUB 5 5 HIS H 112 112 LEU G Protein A 2 FT #SUB 5 5 HIS H 134 134 ARG G Protein B 3 FT #SUB 6 6 ASP H 112 112 LEU G Protein S 1 FT #SUB 7 7 LEU H 131 131 PHE G Protein S 4 FT #SUB 7 7 LEU H 134 134 ARG G Protein S 3 FT #SUB 7 7 LEU H 135 135 ALA G Protein A 4 FT #SUB 8 8 ALA H 111 111 SER G Protein S 2 FT #SUB 8 8 ALA H 134 134 ARG G Protein B 2 FT #SUB 8 8 ALA H 135 135 ALA G Protein B 2 FT #SUB 8 8 ALA H 138 138 VAL G Protein S 1 FT #SUB 9 9 GLY H 135 135 ALA G Protein B 2 FT #SUB 9 9 GLY H 139 139 ARG G Protein B 4 FT #SUB 10 10 VAL H 135 135 ALA G Protein B 1 FT #SUB 11 11 GLN H 139 139 ARG G Protein S 6 FT #SUB 13 13 PHE H 131 131 PHE G Protein S 2 FT #SUB 13 13 PHE H 132 132 GLU G Protein S 3 FT #SUB 13 13 PHE H 135 135 ALA G Protein S 1 FT #SUB 13 13 PHE H 136 136 ARG G Protein B 1 FT #SUB 14 14 GLY H 132 132 GLU G Protein B 1 FT #SUB 14 14 GLY H 136 136 ARG G Protein B 4 FT #SUB 15 15 LYS H 132 132 GLU G Protein B 1 FT #SUB 15 15 LYS H 136 136 ARG G Protein B 1 FT #SUB 15 15 LYS H 147 147 GLU G Protein A 3 FT #SUB 16 16 VAL H 127 127 TRP G Protein S 2 FT #SUB 16 16 VAL H 133 133 TYR G Protein S 3 FT #SUB 16 16 VAL H 144 144 VAL G Protein S 1 FT #SUB 18 18 HIS H 127 127 TRP G Protein S 20 FT #SUB 18 18 HIS H 148 148 MET G Protein B 3 FT #SUB 18 18 HIS H 194 194 ASP G Protein S 5 FT #SUB 19 19 THR H 148 148 MET G Protein A 4 FT #SUB 20 20 VAL H 148 148 MET G Protein A 6 FT #SUB 20 20 VAL H 150 150 THR G Protein S 1 FT #SUB 20 20 VAL H 194 194 ASP G Protein B 2 FT #SUB 20 20 VAL H 199 199 VAL G Protein S 2 FT #SUB 20 20 VAL H 200 200 ALA G Protein S 2 FT #SUB 21 21 ASP H 192 192 THR G Protein S 3 FT #SUB 21 21 ASP H 194 194 ASP G Protein A 5 FT #SUB 21 21 ASP H 200 200 ALA G Protein S 1 FT #SUB 24 24 ILE H 125 125 PRO G Protein S 2 FT #SUB 27 27 THR H 123 123 LEU G Protein S 1 FT #SUB 28 28 PHE H 48 48 PHE G Protein S 3 FT #SUB 28 28 PHE H 49 49 GLU G Protein S 3 FT #SUB 28 28 PHE H 123 123 LEU G Protein S 2 FT #SUB 31 31 GLU H 20 20 SER G Protein S 1 FT #SUB 31 31 GLU H 24 24 TRP G Protein S 4 FT #SUB 32 32 TRP H 19 19 VAL G Protein S 2 FT #SUB 32 32 TRP H 23 23 ALA G Protein S 2 FT #SUB 34 34 HIS H 41 41 VAL G Protein S 2 FT #SUB 34 34 HIS H 45 45 LYS G Protein S 1 FT #SUB 35 35 LEU H 23 23 ALA G Protein S 1 FT #SUB 35 35 LEU H 24 24 TRP G Protein S 4 FT #SUB 35 35 LEU H 41 41 VAL G Protein S 1 FT #SUB 37 37 TYR H 48 48 PHE G Protein S 2 FT #SUB 37 37 TYR H 118 118 TRP G Protein S 7 FT #SUB 37 37 TYR H 123 123 LEU G Protein S 1 FT #SUB 38 38 SER H 40 40 TYR G Protein B 1 FT #SUB 38 38 SER H 41 41 VAL G Protein S 1 FT #SUB 38 38 SER H 44 44 TRP G Protein S 1 FT #SUB 39 39 LEU H 26 26 LEU G Protein S 2 FT #SUB 39 39 LEU H 30 30 LEU G Protein S 1 FT #SUB 41 41 PHE H 40 40 TYR G Protein A 3 FT #SUB 41 41 PHE H 44 44 TRP G Protein S 7 FT #SUB 41 41 PHE H 90 90 PRO G Protein S 1 FT #SUB 41 41 PHE H 118 118 TRP G Protein S 2 FT #SUB 42 42 ALA H 40 40 TYR G Protein A 4 FT #SUB 46 46 GLU H 37 37 PRO G Protein S 2 FT #SUB 46 46 GLU H 40 40 TYR G Protein S 3 FT #SUB 47 47 LEU H 35 35 LEU G Protein S 2 FT #SUB 56 56 ARG H 113 113 CYS G Protein S 1 FT #SUB 56 56 ARG H 115 115 CYS G Protein S 2 FT #SUB 56 56 ARG H 168 168 ARG G Protein S 1 FT #SUB 65 65 ARG H 11 11 ASN G Protein S 6 FT #SUB 66 66 HIS H 16 16 GLN G Protein S 4 FT #SUB 67 67 TYR H 131 131 PHE G Protein S 3 FT #SUB 67 67 TYR H 134 134 ARG G Protein S 3 FT #SUB 68 68 MET H 131 131 PHE G Protein A 3 FT #SUB 69 69 MET H 13 13 ALA G Protein S 2 FT #SUB 69 69 MET H 14 14 PRO G Protein S 1 FT #SUB 69 69 MET H 16 16 GLN G Protein S 1 FT #SUB 72 72 TYR H 114 114 SER G Protein S 6 FT #SUB 72 72 TYR H 129 129 LYS G Protein S 7 FT #SUB 73 73 TYR H 123 123 LEU G Protein S 1 FT #SUB 73 73 TYR H 129 129 LYS G Protein S 3 FT #SUB 74 74 GLU H 19 19 VAL G Protein S 4 FT #SUB 74 74 GLU H 22 22 ARG G Protein S 6 FT #SUB 75 75 ARG H 131 131 PHE G Protein S 3 FT #SUB 75 75 ARG H 134 134 ARG G Protein S 1 FT #SUB 76 76 TYR H 113 113 CYS G Protein S 1 FT #SUB 77 77 VAL H 26 26 LEU G Protein B 1 FT #SUB 78 78 ILE H 22 22 ARG G Protein S 2 FT #SUB 80 80 VAL H 26 26 LEU G Protein S 1 FT #SUB 81 81 ALA H 26 26 LEU G Protein A 2 FT #SUB 84 84 MET H 30 30 LEU G Protein S 3 FT #SUB 89 89 ILE H 33 33 LYS G Protein B 1 FT #SUB 89 89 ILE H 35 35 LEU G Protein S 1 FT #SUB 90 90 LEU H 26 26 LEU G Protein S 1 FT #SUB 90 90 LEU H 29 29 ALA G Protein S 1 FT #SUB 90 90 LEU H 33 33 LYS G Protein S 1 FT #SUB 94 94 GLU H 33 33 LYS G Protein S 6 FT #SUB 95 95 LEU H 25 25 ALA G Protein A 2 FT #SUB 95 95 LEU H 26 26 LEU G Protein S 1 FT #SUB 98 98 LEU H 25 25 ALA G Protein A 2 FT #SUB 98 98 LEU H 29 29 ALA G Protein S 3 FT #SUB 99 99 ALA H 21 21 ASP G Protein A 3 FT #SUB 99 99 ALA H 25 25 ALA G Protein A 3 FT #SUB 101 101 GLY H 17 17 ALA G Protein B 1 FT #SUB 102 102 PRO H 15 15 ALA G Protein S 2 FT #SUB 102 102 PRO H 16 16 GLN G Protein B 1 FT #SUB 102 102 PRO H 17 17 ALA G Protein B 2 FT #SUB 102 102 PRO H 22 22 ARG G Protein B 1 FT #SUB 103 103 PHE H 22 22 ARG G Protein S 9 FT #SUB 104 104 PRO H 15 15 ALA G Protein S 1 FT #SUB 104 104 PRO H 16 16 GLN G Protein S 3 FT #SUB 141 141 ARG H 112 112 LEU G Protein S 5 FT #SUB 141 141 ARG H 113 113 CYS G Protein S 1 FT #SUB 141 141 ARG H 164 164 THR G Protein A 8 FT #SUB 143 143 PRO H 112 112 LEU G Protein S 1 FT #SUB 143 143 PRO H 162 162 ASP G Protein S 1 FT #SUB 143 143 PRO H 164 164 THR G Protein S 2 FT #SUB 145 145 TYR H 138 138 VAL G Protein S 2 FT #SUB 145 145 TYR H 162 162 ASP G Protein S 4 FT #SUB 155 155 HIS H 94 94 TYR G Protein S 2 FT #SUB 157 157 THR H 94 94 TYR G Protein A 7 FT #SUB 157 157 THR H 167 167 THR G Protein S 1 FT #SUB 158 158 THR H 94 94 TYR G Protein A 4 FT #SUB 159 159 GLU H 94 94 TYR G Protein S 1 FT #SUB 161 161 TRP H 94 94 TYR G Protein S 5 FT #SUB 161 161 TRP H 166 166 GLU G Protein S 8 FT #SUB 179 179 THR H 165 165 ALA G Protein S 1 FT #SUB 181 181 HIS H 167 167 THR G Protein S 4 FT #SUB 181 181 HIS H 169 169 TYR G Protein S 8 FT #SUB 183 183 LYS H 159 159 ARG G Protein S 4 FT #SUB 190 190 PHE H 138 138 VAL G Protein S 2 FT #SUB 190 190 PHE H 139 139 ARG G Protein S 6 FT #SUB 193 193 ASP H 139 139 ARG G Protein A 7 FT #SUB 194 194 THR H 139 139 ARG G Protein A 3 FT #SUB 195 195 ASP H 139 139 ARG G Protein B 1 FT #SUB 195 195 ASP H 140 140 GLU G Protein S 2 FT #SUB 195 195 ASP H 141 141 PRO G Protein B 2 FT #SUB 195 195 ASP H 142 142 ARG G Protein A 11 FT #SUB 195 195 ASP H 143 143 LYS G Protein S 4 FT #SUB 196 196 GLY H 141 141 PRO G Protein B 2 FT #SUB 197 197 GLY H 158 158 ILE G Protein B 3 FT #SUB 198 198 SER H 157 157 GLU G Protein S 3 FT #SUB 198 198 SER H 158 158 ILE G Protein B 3 FT #SUB 198 198 SER H 159 159 ARG G Protein A 5 FT #SUB 198 198 SER H 160 160 VAL G Protein B 2 FT #SUB 199 199 VAL H 138 138 VAL G Protein S 1 FT #SUB 199 199 VAL H 160 160 VAL G Protein A 7 FT #SUB 200 200 VAL H 159 159 ARG G Protein S 2 FT #SUB 200 200 VAL H 160 160 VAL G Protein B 4 FT #SUB 200 200 VAL H 161 161 TYR G Protein A 8 FT #SUB 200 200 VAL H 162 162 ASP G Protein B 3 FT #SUB 201 201 VAL H 164 164 THR G Protein S 1 FT #SUB 202 202 ASP H 162 162 ASP G Protein B 1 FT #SUB 202 202 ASP H 164 164 THR G Protein A 6 FT #SUB 202 202 ASP H 165 165 ALA G Protein A 6 FT #SUB 202 202 ASP H 166 166 GLU G Protein S 1 FT #SUB 202 202 ASP H 167 167 THR G Protein S 5 FT #SUB 204 204 PHE H 165 165 ALA G Protein S 1 CC SEQUENCE 212 AA (ATOM); CC MDGVHDLAGV QGFGKVPHTV DADIGPTFHA EWEHLPYSLM FAGVAELGAF SVDEVRYVVE CC RMEPRHYMMT PYYERYVIGV ATLMVEKGIL TQDELESLAG GPFPLSRPSE SEGRPAPVET CC TTFEVGQRVR VRDEYVPGHI RMPAYCRGRV GTISHRTTEK WPFPDAIGHG RNDAGEEPTY CC HVKFAAEELF GSDTDGGSVV VDLFEGYLEP AA CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDGVHDLAGVQGFGKVPHTVDADIGPTFHAEWEHLPYSLMFAGVAELGAF CC ATOM MDGVHDLAGVQGFGKVPHTVDADIGPTFHAEWEHLPYSLMFAGVAELGAF CC ************************************************** CC SEQRES SVDEVRYVVERMEPRHYMMTPYYERYVIGVATLMVEKGILTQDELESLAG CC ATOM SVDEVRYVVERMEPRHYMMTPYYERYVIGVATLMVEKGILTQDELESLAG CC ************************************************** CC SEQRES GPFPLSRPSESEGRPAPVETTTFEVGQRVRVRDEYVPGHIRMPAYCRGRV CC ATOM GPFPLSRPSESEGRPAPVETTTFEVGQRVRVRDEYVPGHIRMPAYCRGRV CC ************************************************** CC SEQRES GTISHRTTEKWPFPDAIGHGRNDAGEEPTYHVKFAAEELFGSDTDGGSVV CC ATOM GTISHRTTEKWPFPDAIGHGRNDAGEEPTYHVKFAAEELFGSDTDGGSVV CC ************************************************** CC SEQRES VDLFEGYLEPAA CC ATOM VDLFEGYLEPAA CC ************ SQ SEQUENCE 212 AA; MW; CN; MDGVHDLAGV QGFGKVPHTV DADIGPTFHA EWEHLPYSLM FAGVAELGAF SVDEVRYVVE RMEPRHYMMT PYYERYVIGV ATLMVEKGIL TQDELESLAG GPFPLSRPSE SEGRPAPVET TTFEVGQRVR VRDEYVPGHI RMPAYCRGRV GTISHRTTEK WPFPDAIGHG RNDAGEEPTY HVKFAAEELF GSDTDGGSVV VDLFEGYLEP AA //