ID 2AMDA STANDARD; PRT; 311 AA. DT CONVERTED FROM PDB (SEQRES) 2AMD DE 3C-like proteinase OS SARS coronavirus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.850 CC R-Factor 0.220 FT #SUB 2 -3 PRO A 145 140 PHE B Protein B 1 FT #SUB 2 -3 PRO A 146 141 LEU B Protein A 3 FT #SUB 3 -2 LEU A 143 138 GLY B Protein B 1 FT #SUB 3 -2 LEU A 144 139 SER B Protein A 6 FT #SUB 3 -2 LEU A 145 140 PHE B Protein B 7 FT #SUB 3 -2 LEU A 146 141 LEU B Protein A 5 FT #SUB 3 -2 LEU A 177 172 HIS B Protein B 2 FT #SUB 4 -1 GLY A 171 166 GLU B Protein B 3 FT #SUB 4 -1 GLY A 175 170 GLY B Protein B 6 FT #SUB 4 -1 GLY A 177 172 HIS B Protein B 2 FT #SUB 9 4 ARG A 131 126 TYR B Protein S 2 FT #SUB 9 4 ARG A 132 127 GLN B Protein S 3 FT #SUB 9 4 ARG A 133 128 CYS B Protein S 2 FT #SUB 9 4 ARG A 142 137 LYS B Protein S 4 FT #SUB 9 4 ARG A 144 139 SER B Protein S 1 FT #SUB 9 4 ARG A 295 290 GLU B Protein S 5 FT #SUB 11 6 MET A 130 125 VAL B Protein B 2 FT #SUB 11 6 MET A 131 126 TYR B Protein S 2 FT #SUB 12 7 ALA A 129 124 GLY B Protein B 2 FT #SUB 12 7 ALA A 130 125 VAL B Protein A 9 FT #SUB 13 8 PHE A 130 125 VAL B Protein B 1 FT #SUB 14 9 PRO A 15 10 SER B Protein B 2 FT #SUB 14 9 PRO A 19 14 GLU B Protein A 5 FT #SUB 14 9 PRO A 127 122 PRO B Protein S 4 FT #SUB 14 9 PRO A 128 123 SER B Protein S 4 FT #SUB 14 9 PRO A 129 124 GLY B Protein S 2 FT #SUB 15 10 SER A 14 9 PRO B Protein S 3 FT #SUB 15 10 SER A 15 10 SER B Protein A 3 FT #SUB 15 10 SER A 19 14 GLU B Protein B 3 FT #SUB 16 11 GLY A 16 11 GLY B Protein B 3 FT #SUB 16 11 GLY A 19 14 GLU B Protein B 6 FT #SUB 19 14 GLU A 14 9 PRO B Protein S 5 FT #SUB 19 14 GLU A 15 10 SER B Protein S 2 FT #SUB 19 14 GLU A 16 11 GLY B Protein S 6 FT #SUB 120 115 LEU A 14 9 PRO B Protein S 1 FT #SUB 127 122 PRO A 14 9 PRO B Protein A 2 FT #SUB 128 123 SER A 14 9 PRO B Protein B 3 FT #SUB 128 123 SER A 303 298 ARG B Protein A 4 FT #SUB 129 124 GLY A 12 7 ALA B Protein B 2 FT #SUB 129 124 GLY A 14 9 PRO B Protein B 3 FT #SUB 130 125 VAL A 11 6 MET B Protein B 3 FT #SUB 130 125 VAL A 12 7 ALA B Protein A 8 FT #SUB 130 125 VAL A 13 8 PHE B Protein S 1 FT #SUB 130 125 VAL A 130 125 VAL B Protein S 1 FT #SUB 131 126 TYR A 9 4 ARG B Protein S 3 FT #SUB 131 126 TYR A 11 6 MET B Protein S 4 FT #SUB 132 127 GLN A 9 4 ARG B Protein B 4 FT #SUB 133 128 CYS A 9 4 ARG B Protein S 1 FT #SUB 142 137 LYS A 9 4 ARG B Protein A 8 FT #SUB 143 138 GLY A 6 1 SER B Protein B 1 FT #SUB 143 138 GLY A 7 2 GLY B Protein B 2 FT #SUB 143 138 GLY A 8 3 PHE B Protein B 1 FT #SUB 144 139 SER A 6 1 SER B Protein A 3 FT #SUB 144 139 SER A 7 2 GLY B Protein S 2 FT #SUB 144 139 SER A 11 6 MET B Protein S 2 FT #SUB 144 139 SER A 304 299 GLN B Protein S 4 FT #SUB 145 140 PHE A 6 1 SER B Protein B 7 FT #SUB 146 141 LEU A 6 1 SER B Protein S 1 FT #SUB 146 141 LEU A 304 299 GLN B Protein S 3 FT #SUB 146 141 LEU A 305 300 CYS B Protein S 2 FT #SUB 146 141 LEU A 307 302 GLY B Protein S 2 FT #SUB 171 166 GLU A 5 0 SER B Protein S 7 FT #SUB 177 172 HIS A 6 1 SER B Protein S 2 FT #SUB 290 285 THR A 290 285 THR B Protein S 1 FT #SUB 290 285 THR A 291 286 ILE B Protein S 1 FT #SUB 291 286 ILE A 290 285 THR B Protein S 2 FT #SUB 295 290 GLU A 9 4 ARG B Protein S 5 FT #SUB 304 299 GLN A 144 139 SER B Protein S 3 FT #SUB 305 300 CYS A 146 141 LEU B Protein B 1 FT #SUB 306 301 SER A 146 141 LEU B Protein B 2 FT #SUB 307 302 GLY A 123 118 TYR B Protein B 1 FT #SUB 307 302 GLY A 128 123 SER B Protein B 2 FT #SUB 307 302 GLY A 146 141 LEU B Protein B 2 FT #SUB 308 303 VAL A 128 123 SER B Protein B 5 FT #SUB 309 304 THR A 123 118 TYR B Protein S 2 FT #SUB 309 304 THR A 126 121 SER B Protein S 2 FT #SUB 309 304 THR A 127 122 PRO B Protein A 3 FT #SUB 310 305 PHE A 127 122 PRO B Protein A 3 FT #SUB 310 305 PHE A 128 123 SER B Protein S 2 FT #HET 30 25 THR A 1 1001 9IN A S 1 FT #HET 31 26 THR A 1 1001 9IN A B 4 FT #HET 32 27 LEU A 1 1001 9IN A S 1 FT #HET 46 41 HIS A 1 1001 9IN A S 1 FT #HET 54 49 MET A 1 1001 9IN A S 3 FT #HET 145 140 PHE A 1 1001 9IN A A 2 FT #HET 147 142 ASN A 1 1001 9IN A S 2 FT #HET 148 143 GLY A 1 1001 9IN A B 6 FT #HET 149 144 SER A 1 1001 9IN A B 2 FT #HET 150 145 CYS A 1 1001 9IN A A 16 FT #HET 168 163 HIS A 1 1001 9IN A S 4 FT #HET 169 164 HIS A 1 1001 9IN A B 6 FT #HET 170 165 MET A 1 1001 9IN A A 8 FT #HET 171 166 GLU A 1 1001 9IN A A 12 FT #HET 172 167 LEU A 1 1001 9IN A S 1 FT #HET 173 168 PRO A 1 1001 9IN A S 1 FT #HET 177 172 HIS A 1 1001 9IN A S 2 FT #HET 192 187 ASP A 1 1001 9IN A B 3 FT #HET 193 188 ARG A 1 1001 9IN A B 2 FT #HET 194 189 GLN A 1 1001 9IN A A 16 FT #HET 195 190 THR A 1 1001 9IN A B 8 FT #HET 196 191 ALA A 1 1001 9IN A A 5 FT #HET 197 192 GLN A 1 1001 9IN A A 6 FT DISORDER 1 1 FT DISORDER 311 311 CC SEQUENCE 309 AA (ATOM); CC PLGSSGFRKM AFPSGKVEGC MVQVTCGTTT LNGLWLDDTV YCPRHVICTA EDMLNPNYED CC LLIRKSNHSF LVQAGNVQLR VIGHSMQNCL LRLKVDTSNP KTPKYKFVRI QPGQTFSVLA CC CYNGSPSGVY QCAMRPNHTI KGSFLNGSCG SVGFNIDYDC VSFCYMHHME LPTGVHAGTD CC LEGKFYGPFV DRQTAQAAGT DTTITLNVLA WLYAAVINGD RWFLNRFTTT LNDFNLVAMK CC YNYEPLTQDH VDILGPLSAQ TGIAVLDMCA ALKELLQNGM NGRTILGSTI LEDEFTPFDV CC VRQCSGVTF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GPLGSSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICT CC ATOM -PLGSSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICT CC ************************************************* CC SEQRES AEDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSN CC ATOM AEDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSN CC ************************************************** CC SEQRES PKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSC CC ATOM PKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSC CC ************************************************** CC SEQRES GSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAG CC ATOM GSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAG CC ************************************************** CC SEQRES TDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQD CC ATOM TDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQD CC ************************************************** CC SEQRES HVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFD CC ATOM HVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFD CC ************************************************** CC SEQRES VVRQCSGVTFQ CC ATOM VVRQCSGVTF- CC ********** SQ SEQUENCE 311 AA; MW; CN; GPLGSSGFRK MAFPSGKVEG CMVQVTCGTT TLNGLWLDDT VYCPRHVICT AEDMLNPNYE DLLIRKSNHS FLVQAGNVQL RVIGHSMQNC LLRLKVDTSN PKTPKYKFVR IQPGQTFSVL ACYNGSPSGV YQCAMRPNHT IKGSFLNGSC GSVGFNIDYD CVSFCYMHHM ELPTGVHAGT DLEGKFYGPF VDRQTAQAAG TDTTITLNVL AWLYAAVING DRWFLNRFTT TLNDFNLVAM KYNYEPLTQD HVDILGPLSA QTGIAVLDMC AALKELLQNG MNGRTILGST ILEDEFTPFD VVRQCSGVTF Q // ID 2AMDB STANDARD; PRT; 311 AA. DT CONVERTED FROM PDB (SEQRES) 2AMD DE 3C-like proteinase OS SARS coronavirus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.850 CC R-Factor 0.220 FT #SUB 5 0 SER B 171 166 GLU A Protein A 7 FT #SUB 6 1 SER B 143 138 GLY A Protein B 1 FT #SUB 6 1 SER B 144 139 SER A Protein B 3 FT #SUB 6 1 SER B 145 140 PHE A Protein A 7 FT #SUB 6 1 SER B 146 141 LEU A Protein S 1 FT #SUB 6 1 SER B 177 172 HIS A Protein B 2 FT #SUB 7 2 GLY B 143 138 GLY A Protein B 2 FT #SUB 7 2 GLY B 144 139 SER A Protein B 2 FT #SUB 8 3 PHE B 143 138 GLY A Protein B 1 FT #SUB 9 4 ARG B 131 126 TYR A Protein S 3 FT #SUB 9 4 ARG B 132 127 GLN A Protein S 4 FT #SUB 9 4 ARG B 133 128 CYS A Protein S 1 FT #SUB 9 4 ARG B 142 137 LYS A Protein S 8 FT #SUB 9 4 ARG B 295 290 GLU A Protein S 5 FT #SUB 11 6 MET B 130 125 VAL A Protein A 3 FT #SUB 11 6 MET B 131 126 TYR A Protein S 4 FT #SUB 11 6 MET B 144 139 SER A Protein S 2 FT #SUB 12 7 ALA B 129 124 GLY A Protein B 2 FT #SUB 12 7 ALA B 130 125 VAL A Protein B 8 FT #SUB 13 8 PHE B 130 125 VAL A Protein B 1 FT #SUB 14 9 PRO B 15 10 SER A Protein A 3 FT #SUB 14 9 PRO B 19 14 GLU A Protein A 5 FT #SUB 14 9 PRO B 120 115 LEU A Protein S 1 FT #SUB 14 9 PRO B 127 122 PRO A Protein S 2 FT #SUB 14 9 PRO B 128 123 SER A Protein S 3 FT #SUB 14 9 PRO B 129 124 GLY A Protein S 3 FT #SUB 15 10 SER B 14 9 PRO A Protein S 2 FT #SUB 15 10 SER B 15 10 SER A Protein A 3 FT #SUB 15 10 SER B 19 14 GLU A Protein B 2 FT #SUB 16 11 GLY B 16 11 GLY A Protein B 3 FT #SUB 16 11 GLY B 19 14 GLU A Protein B 6 FT #SUB 19 14 GLU B 14 9 PRO A Protein S 5 FT #SUB 19 14 GLU B 15 10 SER A Protein S 3 FT #SUB 19 14 GLU B 16 11 GLY A Protein S 6 FT #SUB 123 118 TYR B 307 302 GLY A Protein S 1 FT #SUB 123 118 TYR B 309 304 THR A Protein A 2 FT #SUB 126 121 SER B 309 304 THR A Protein A 2 FT #SUB 127 122 PRO B 14 9 PRO A Protein A 4 FT #SUB 127 122 PRO B 309 304 THR A Protein B 3 FT #SUB 127 122 PRO B 310 305 PHE A Protein B 3 FT #SUB 128 123 SER B 14 9 PRO A Protein B 4 FT #SUB 128 123 SER B 307 302 GLY A Protein S 2 FT #SUB 128 123 SER B 308 303 VAL A Protein A 5 FT #SUB 128 123 SER B 310 305 PHE A Protein B 2 FT #SUB 129 124 GLY B 12 7 ALA A Protein B 2 FT #SUB 129 124 GLY B 14 9 PRO A Protein B 2 FT #SUB 130 125 VAL B 11 6 MET A Protein B 2 FT #SUB 130 125 VAL B 12 7 ALA A Protein A 9 FT #SUB 130 125 VAL B 13 8 PHE A Protein S 1 FT #SUB 130 125 VAL B 130 125 VAL A Protein S 1 FT #SUB 131 126 TYR B 9 4 ARG A Protein S 2 FT #SUB 131 126 TYR B 11 6 MET A Protein S 2 FT #SUB 132 127 GLN B 9 4 ARG A Protein B 3 FT #SUB 133 128 CYS B 9 4 ARG A Protein A 2 FT #SUB 142 137 LYS B 9 4 ARG A Protein B 4 FT #SUB 143 138 GLY B 3 -2 LEU A Protein B 1 FT #SUB 144 139 SER B 3 -2 LEU A Protein A 6 FT #SUB 144 139 SER B 9 4 ARG A Protein S 1 FT #SUB 144 139 SER B 304 299 GLN A Protein S 3 FT #SUB 145 140 PHE B 2 -3 PRO A Protein B 1 FT #SUB 145 140 PHE B 3 -2 LEU A Protein B 7 FT #SUB 146 141 LEU B 2 -3 PRO A Protein S 3 FT #SUB 146 141 LEU B 3 -2 LEU A Protein S 5 FT #SUB 146 141 LEU B 305 300 CYS A Protein S 1 FT #SUB 146 141 LEU B 306 301 SER A Protein S 2 FT #SUB 146 141 LEU B 307 302 GLY A Protein S 2 FT #SUB 171 166 GLU B 4 -1 GLY A Protein S 3 FT #SUB 175 170 GLY B 4 -1 GLY A Protein B 6 FT #SUB 177 172 HIS B 3 -2 LEU A Protein S 2 FT #SUB 177 172 HIS B 4 -1 GLY A Protein S 2 FT #SUB 290 285 THR B 290 285 THR A Protein S 1 FT #SUB 290 285 THR B 291 286 ILE A Protein S 2 FT #SUB 291 286 ILE B 290 285 THR A Protein S 1 FT #SUB 295 290 GLU B 9 4 ARG A Protein S 5 FT #SUB 303 298 ARG B 128 123 SER A Protein S 4 FT #SUB 304 299 GLN B 144 139 SER A Protein S 4 FT #SUB 304 299 GLN B 146 141 LEU A Protein B 3 FT #SUB 305 300 CYS B 146 141 LEU A Protein B 2 FT #SUB 307 302 GLY B 146 141 LEU A Protein B 2 FT #HET 30 25 THR B 2 2001 9IN B S 2 FT #HET 31 26 THR B 2 2001 9IN B B 4 FT #HET 32 27 LEU B 2 2001 9IN B S 1 FT #HET 46 41 HIS B 2 2001 9IN B S 3 FT #HET 54 49 MET B 2 2001 9IN B S 1 FT #HET 145 140 PHE B 2 2001 9IN B A 2 FT #HET 147 142 ASN B 2 2001 9IN B A 4 FT #HET 148 143 GLY B 2 2001 9IN B B 6 FT #HET 149 144 SER B 2 2001 9IN B B 1 FT #HET 150 145 CYS B 2 2001 9IN B A 16 FT #HET 168 163 HIS B 2 2001 9IN B S 5 FT #HET 169 164 HIS B 2 2001 9IN B B 5 FT #HET 170 165 MET B 2 2001 9IN B A 9 FT #HET 171 166 GLU B 2 2001 9IN B A 17 FT #HET 173 168 PRO B 2 2001 9IN B A 7 FT #HET 177 172 HIS B 2 2001 9IN B S 2 FT #HET 192 187 ASP B 2 2001 9IN B B 1 FT #HET 193 188 ARG B 2 2001 9IN B B 3 FT #HET 194 189 GLN B 2 2001 9IN B A 13 FT #HET 195 190 THR B 2 2001 9IN B B 7 FT #HET 196 191 ALA B 2 2001 9IN B A 5 FT #HET 197 192 GLN B 2 2001 9IN B S 2 FT DISORDER 1 3 FT DISORDER 308 311 CC SEQUENCE 304 AA (ATOM); CC GSSGFRKMAF PSGKVEGCMV QVTCGTTTLN GLWLDDTVYC PRHVICTAED MLNPNYEDLL CC IRKSNHSFLV QAGNVQLRVI GHSMQNCLLR LKVDTSNPKT PKYKFVRIQP GQTFSVLACY CC NGSPSGVYQC AMRPNHTIKG SFLNGSCGSV GFNIDYDCVS FCYMHHMELP TGVHAGTDLE CC GKFYGPFVDR QTAQAAGTDT TITLNVLAWL YAAVINGDRW FLNRFTTTLN DFNLVAMKYN CC YEPLTQDHVD ILGPLSAQTG IAVLDMCAAL KELLQNGMNG RTILGSTILE DEFTPFDVVR CC QCSG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GPLGSSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICT CC ATOM ---GSSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICT CC *********************************************** CC SEQRES AEDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSN CC ATOM AEDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSN CC ************************************************** CC SEQRES PKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSC CC ATOM PKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSC CC ************************************************** CC SEQRES GSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAG CC ATOM GSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAG CC ************************************************** CC SEQRES TDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQD CC ATOM TDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQD CC ************************************************** CC SEQRES HVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFD CC ATOM HVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFD CC ************************************************** CC SEQRES VVRQCSGVTFQ CC ATOM VVRQCSG---- CC ******* SQ SEQUENCE 311 AA; MW; CN; GPLGSSGFRK MAFPSGKVEG CMVQVTCGTT TLNGLWLDDT VYCPRHVICT AEDMLNPNYE DLLIRKSNHS FLVQAGNVQL RVIGHSMQNC LLRLKVDTSN PKTPKYKFVR IQPGQTFSVL ACYNGSPSGV YQCAMRPNHT IKGSFLNGSC GSVGFNIDYD CVSFCYMHHM ELPTGVHAGT DLEGKFYGPF VDRQTAQAAG TDTTITLNVL AWLYAAVING DRWFLNRFTT TLNDFNLVAM KYNYEPLTQD HVDILGPLSA QTGIAVLDMC AALKELLQNG MNGRTILGST ILEDEFTPFD VVRQCSGVTF Q //