ID 2HOBA STANDARD; PRT; 306 AA. DT CONVERTED FROM PDB (SEQRES) 2HOB DE Replicase polyprotein 1ab OS SARS coronavirus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.205 FT #SUB 25 25 THR A 6 6 010 B Protein A 9 FT #SUB 26 26 THR A 6 6 010 B Protein B 2 FT #SUB 27 27 LEU A 5 5 PJE B Protein S 1 FT #SUB 41 41 HIS A 4 4 LEU B Protein S 5 FT #SUB 41 41 HIS A 5 5 PJE B Protein S 1 FT #SUB 49 49 MET A 4 4 LEU B Protein S 1 FT #SUB 49 49 MET A 6 6 010 B Protein S 3 FT #SUB 140 140 PHE A 5 5 PJE B Protein A 5 FT #SUB 141 141 LEU A 5 5 PJE B Protein B 3 FT #SUB 142 142 ASN A 5 5 PJE B Protein A 4 FT #SUB 143 143 GLY A 5 5 PJE B Protein B 6 FT #SUB 143 143 GLY A 6 6 010 B Protein B 1 FT #SUB 144 144 SER A 5 5 PJE B Protein A 2 FT #SUB 145 145 CYS A 5 5 PJE B Protein A 16 FT #SUB 163 163 HIS A 5 5 PJE B Protein S 6 FT #SUB 164 164 HIS A 4 4 LEU B Protein B 2 FT #SUB 164 164 HIS A 5 5 PJE B Protein B 3 FT #SUB 165 165 MET A 3 3 VAL B Protein A 4 FT #SUB 165 165 MET A 4 4 LEU B Protein S 3 FT #SUB 165 165 MET A 5 5 PJE B Protein B 3 FT #SUB 166 166 GLU A 1 1 02J B Protein B 1 FT #SUB 166 166 GLU A 2 2 ALA B Protein B 2 FT #SUB 166 166 GLU A 3 3 VAL B Protein B 10 FT #SUB 166 166 GLU A 5 5 PJE B Protein A 10 FT #SUB 168 168 PRO A 1 1 02J B Protein S 9 FT #SUB 172 172 HIS A 5 5 PJE B Protein S 2 FT #SUB 187 187 ASP A 4 4 LEU B Protein B 2 FT #SUB 188 188 ARG A 2 2 ALA B Protein B 1 FT #SUB 188 188 ARG A 4 4 LEU B Protein B 1 FT #SUB 189 189 GLN A 2 2 ALA B Protein A 4 FT #SUB 189 189 GLN A 3 3 VAL B Protein S 3 FT #SUB 189 189 GLN A 4 4 LEU B Protein S 6 FT #SUB 190 190 THR A 1 1 02J B Protein B 2 FT #SUB 190 190 THR A 2 2 ALA B Protein B 3 FT #SUB 191 191 ALA A 1 1 02J B Protein B 1 FT #SUB 192 192 GLN A 1 1 02J B Protein B 2 FT #SUB 192 192 GLN A 2 2 ALA B Protein S 2 CC SEQUENCE 306 AA (ATOM); CC SGFRKMAFPS GKVEGCMVQV TCGTTTLNGL WLDDTVYCPR HVICTAEDML NPNYEDLLIR CC KSNHSFLVQA GNVQLRVIGH SMQNCLLRLK VDTSNPKTPK YKFVRIQPGQ TFSVLACYNG CC SPSGVYQCAM RPNHTIKGSF LNGSCGSVGF NIDYDCVSFC YMHHMELPTG VHAGTDLEGK CC FYGPFVDRQT AQAAGTDTTI TLNVLAWLYA AVINGDRWFL NRFTTTLNDF NLVAMKYNYE CC PLTQDHVDIL GPLSAQTGIA VLDMCAALKE LLQNGMNGRT ILGSTILEDE FTPFDVVRQC CC SGVTFQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDML CC ATOM SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDML CC ************************************************** CC SEQRES NPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPK CC ATOM NPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPK CC ************************************************** CC SEQRES YKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSCGSVGF CC ATOM YKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSCGSVGF CC ************************************************** CC SEQRES NIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAGTDTTI CC ATOM NIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAGTDTTI CC ************************************************** CC SEQRES TLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDIL CC ATOM TLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDIL CC ************************************************** CC SEQRES GPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDVVRQC CC ATOM GPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDVVRQC CC ************************************************** CC SEQRES SGVTFQ CC ATOM SGVTFQ CC ****** SQ SEQUENCE 306 AA; MW; CN; SGFRKMAFPS GKVEGCMVQV TCGTTTLNGL WLDDTVYCPR HVICTAEDML NPNYEDLLIR KSNHSFLVQA GNVQLRVIGH SMQNCLLRLK VDTSNPKTPK YKFVRIQPGQ TFSVLACYNG SPSGVYQCAM RPNHTIKGSF LNGSCGSVGF NIDYDCVSFC YMHHMELPTG VHAGTDLEGK FYGPFVDRQT AQAAGTDTTI TLNVLAWLYA AVINGDRWFL NRFTTTLNDF NLVAMKYNYE PLTQDHVDIL GPLSAQTGIA VLDMCAALKE LLQNGMNGRT ILGSTILEDE FTPFDVVRQC SGVTFQ // ID 2HOBB STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 2HOB DE N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOX DE Y)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.950 CC R-Factor 0.205 FT #SUB 1 1 02J B 166 166 GLU A Protein B 1 FT #SUB 1 1 02J B 168 168 PRO A Protein A 9 FT #SUB 1 1 02J B 190 190 THR A Protein B 2 FT #SUB 1 1 02J B 191 191 ALA A Protein B 1 FT #SUB 1 1 02J B 192 192 GLN A Protein B 2 FT #SUB 2 2 ALA B 166 166 GLU A Protein B 2 FT #SUB 2 2 ALA B 188 188 ARG A Protein S 1 FT #SUB 2 2 ALA B 189 189 GLN A Protein B 4 FT #SUB 2 2 ALA B 190 190 THR A Protein A 3 FT #SUB 2 2 ALA B 192 192 GLN A Protein S 2 FT #SUB 3 3 VAL B 165 165 MET A Protein B 4 FT #SUB 3 3 VAL B 166 166 GLU A Protein A 10 FT #SUB 3 3 VAL B 189 189 GLN A Protein A 3 FT #SUB 4 4 LEU B 41 41 HIS A Protein S 5 FT #SUB 4 4 LEU B 49 49 MET A Protein S 1 FT #SUB 4 4 LEU B 164 164 HIS A Protein B 2 FT #SUB 4 4 LEU B 165 165 MET A Protein A 3 FT #SUB 4 4 LEU B 187 187 ASP A Protein S 2 FT #SUB 4 4 LEU B 188 188 ARG A Protein S 1 FT #SUB 4 4 LEU B 189 189 GLN A Protein A 6 FT #SUB 5 5 PJE B 27 27 LEU A Protein B 1 FT #SUB 5 5 PJE B 41 41 HIS A Protein S 1 FT #SUB 5 5 PJE B 140 140 PHE A Protein S 5 FT #SUB 5 5 PJE B 141 141 LEU A Protein S 3 FT #SUB 5 5 PJE B 142 142 ASN A Protein S 4 FT #SUB 5 5 PJE B 143 143 GLY A Protein B 6 FT #SUB 5 5 PJE B 144 144 SER A Protein A 2 FT #SUB 5 5 PJE B 145 145 CYS A Protein A 16 FT #SUB 5 5 PJE B 163 163 HIS A Protein S 6 FT #SUB 5 5 PJE B 164 164 HIS A Protein B 3 FT #SUB 5 5 PJE B 165 165 MET A Protein A 3 FT #SUB 5 5 PJE B 166 166 GLU A Protein S 10 FT #SUB 5 5 PJE B 172 172 HIS A Protein S 2 FT #SUB 6 6 010 B 25 25 THR A Protein S 9 FT #SUB 6 6 010 B 26 26 THR A Protein A 2 FT #SUB 6 6 010 B 49 49 MET A Protein S 3 FT #SUB 6 6 010 B 143 143 GLY A Protein B 1 CC SEQUENCE 6 AA (ATOM); CC XAVLXX CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XAVLXX CC ATOM XAVLXX CC ****** SQ SEQUENCE 6 AA; MW; CN; XAVLXX //