ID 2Q6FA STANDARD; PRT; 309 AA. DT CONVERTED FROM PDB (SEQRES) 2Q6F DE Infectious bronchitis virus (IBV) main protease OS Infectious bronchitis virus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.216 FT #SUB 3 1 SER A 138 136 ALA B Protein B 1 FT #SUB 3 1 SER A 139 137 SER B Protein B 3 FT #SUB 3 1 SER A 140 138 PHE B Protein B 2 FT #SUB 3 1 SER A 166 164 GLU B Protein B 4 FT #SUB 3 1 SER A 170 168 ALA B Protein B 2 FT #SUB 3 1 SER A 172 170 HIS B Protein B 4 FT #SUB 4 2 GLY A 138 136 ALA B Protein B 2 FT #SUB 4 2 GLY A 139 137 SER B Protein B 3 FT #SUB 4 2 GLY A 170 168 ALA B Protein B 1 FT #SUB 6 4 LYS A 126 124 TYR B Protein S 4 FT #SUB 6 4 LYS A 127 125 PRO B Protein S 3 FT #SUB 6 4 LYS A 137 135 ARG B Protein S 3 FT #SUB 6 4 LYS A 138 136 ALA B Protein S 1 FT #SUB 6 4 LYS A 139 137 SER B Protein S 1 FT #SUB 8 6 LEU A 124 122 GLY B Protein S 1 FT #SUB 8 6 LEU A 125 123 LEU B Protein A 3 FT #SUB 8 6 LEU A 126 124 TYR B Protein S 2 FT #SUB 9 7 VAL A 124 122 GLY B Protein B 2 FT #SUB 9 7 VAL A 125 123 LEU B Protein A 7 FT #SUB 10 8 SER A 125 123 LEU B Protein B 1 FT #SUB 11 9 PRO A 12 10 SER B Protein A 3 FT #SUB 11 9 PRO A 16 14 GLU B Protein S 3 FT #SUB 11 9 PRO A 122 120 VAL B Protein S 1 FT #SUB 11 9 PRO A 123 121 ILE B Protein S 2 FT #SUB 11 9 PRO A 125 123 LEU B Protein B 1 FT #SUB 12 10 SER A 11 9 PRO B Protein S 3 FT #SUB 12 10 SER A 12 10 SER B Protein A 4 FT #SUB 12 10 SER A 16 14 GLU B Protein B 1 FT #SUB 13 11 SER A 16 14 GLU B Protein A 5 FT #SUB 16 14 GLU A 11 9 PRO B Protein S 3 FT #SUB 16 14 GLU A 12 10 SER B Protein S 1 FT #SUB 16 14 GLU A 13 11 SER B Protein S 8 FT #SUB 122 120 VAL A 11 9 PRO B Protein B 1 FT #SUB 123 121 ILE A 11 9 PRO B Protein B 2 FT #SUB 124 122 GLY A 8 6 LEU B Protein B 2 FT #SUB 124 122 GLY A 9 7 VAL B Protein B 2 FT #SUB 124 122 GLY A 11 9 PRO B Protein B 1 FT #SUB 125 123 LEU A 8 6 LEU B Protein B 4 FT #SUB 125 123 LEU A 9 7 VAL B Protein A 9 FT #SUB 125 123 LEU A 11 9 PRO B Protein S 1 FT #SUB 126 124 TYR A 6 4 LYS B Protein S 3 FT #SUB 126 124 TYR A 8 6 LEU B Protein S 2 FT #SUB 127 125 PRO A 6 4 LYS B Protein B 4 FT #SUB 137 135 ARG A 6 4 LYS B Protein B 1 FT #SUB 138 136 ALA A 3 1 SER B Protein B 1 FT #SUB 138 136 ALA A 4 2 GLY B Protein B 2 FT #SUB 139 137 SER A 3 1 SER B Protein B 2 FT #SUB 139 137 SER A 4 2 GLY B Protein A 3 FT #SUB 139 137 SER A 302 300 GLN B Protein S 4 FT #SUB 140 138 PHE A 3 1 SER B Protein B 6 FT #SUB 141 139 LEU A 3 1 SER B Protein S 1 FT #SUB 141 139 LEU A 302 300 GLN B Protein S 1 FT #SUB 141 139 LEU A 303 301 VAL B Protein S 1 FT #SUB 141 139 LEU A 304 302 GLY B Protein S 1 FT #SUB 166 164 GLU A 3 1 SER B Protein S 3 FT #SUB 172 170 HIS A 3 1 SER B Protein S 2 FT #SUB 286 284 GLY A 289 287 ASN B Protein B 4 FT #SUB 287 285 GLN A 289 287 ASN B Protein A 2 FT #SUB 288 286 TYR A 288 286 TYR B Protein A 4 FT #SUB 289 287 ASN A 286 284 GLY B Protein S 3 FT #SUB 289 287 ASN A 287 285 GLN B Protein S 1 FT #SUB 293 291 GLU A 6 4 LYS B Protein S 1 FT #SUB 302 300 GLN A 139 137 SER B Protein S 4 FT #SUB 302 300 GLN A 141 139 LEU B Protein B 1 FT #SUB 303 301 VAL A 141 139 LEU B Protein B 1 FT #SUB 43 41 HIS A 4 4 LEU D Protein S 2 FT #SUB 43 41 HIS A 5 5 PJE D Protein S 1 FT #SUB 47 45 LYS A 4 4 LEU D Protein S 1 FT #SUB 140 138 PHE A 5 5 PJE D Protein A 4 FT #SUB 142 140 ALA A 5 5 PJE D Protein B 2 FT #SUB 142 140 ALA A 6 6 010 D Protein S 1 FT #SUB 143 141 GLY A 5 5 PJE D Protein B 3 FT #SUB 145 143 CYS A 5 5 PJE D Protein A 9 FT #SUB 163 161 HIS A 5 5 PJE D Protein S 5 FT #SUB 164 162 HIS A 4 4 LEU D Protein B 2 FT #SUB 164 162 HIS A 5 5 PJE D Protein B 1 FT #SUB 165 163 LEU A 3 3 VAL D Protein A 3 FT #SUB 165 163 LEU A 5 5 PJE D Protein B 1 FT #SUB 166 164 GLU A 2 2 ALA D Protein B 3 FT #SUB 166 164 GLU A 3 3 VAL D Protein A 7 FT #SUB 166 164 GLU A 5 5 PJE D Protein A 8 FT #SUB 167 165 LEU A 2 2 ALA D Protein S 1 FT #SUB 172 170 HIS A 5 5 PJE D Protein S 2 FT #SUB 187 185 ASP A 4 4 LEU D Protein B 2 FT #SUB 188 186 GLU A 2 2 ALA D Protein B 1 FT #SUB 189 187 GLU A 2 2 ALA D Protein A 4 FT #SUB 189 187 GLU A 3 3 VAL D Protein S 2 FT #SUB 189 187 GLU A 4 4 LEU D Protein S 6 FT #SUB 190 188 VAL A 1 1 02J D Protein B 4 FT #SUB 190 188 VAL A 2 2 ALA D Protein B 2 FT #SUB 191 189 ALA A 1 1 02J D Protein A 5 FT #SUB 192 190 GLN A 2 2 ALA D Protein S 1 FT DISORDER 1 2 FT DISORDER 216 222 FT DISORDER 304 309 CC SEQUENCE 294 AA (ATOM); CC SGFKKLVSPS SAVEKCIVSV SYRGNNLNGL WLGDSIYCPR HVLGKFSGDQ WGDVLNLANN CC HEFEVVTQNG VTLNVVSRRL KGAVLILQTA VANAETPKYK FVKANCGDSF TIACSYGGTV CC IGLYPVTMRS NGTIRASFLA GACGSVGFNI EKGVVNFFYM HHLELPNALH TGTDLMGEFY CC GGYVDEEVAQ RVPPDNLVTN NIVAWLYAAI ISVPKWLEST TVSIEDYNRW ASDNGFTPFS CC TSTAITKLSA ITGVDVCKLL RTIMVKSAQW GSDPILGQYN FEDELTPESV FNQV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GSSGFKKLVSPSSAVEKCIVSVSYRGNNLNGLWLGDSIYCPRHVLGKFSG CC ATOM --SGFKKLVSPSSAVEKCIVSVSYRGNNLNGLWLGDSIYCPRHVLGKFSG CC ************************************************ CC SEQRES DQWGDVLNLANNHEFEVVTQNGVTLNVVSRRLKGAVLILQTAVANAETPK CC ATOM DQWGDVLNLANNHEFEVVTQNGVTLNVVSRRLKGAVLILQTAVANAETPK CC ************************************************** CC SEQRES YKFVKANCGDSFTIACSYGGTVIGLYPVTMRSNGTIRASFLAGACGSVGF CC ATOM YKFVKANCGDSFTIACSYGGTVIGLYPVTMRSNGTIRASFLAGACGSVGF CC ************************************************** CC SEQRES NIEKGVVNFFYMHHLELPNALHTGTDLMGEFYGGYVDEEVAQRVPPDNLV CC ATOM NIEKGVVNFFYMHHLELPNALHTGTDLMGEFYGGYVDEEVAQRVPPDNLV CC ************************************************** CC SEQRES TNNIVAWLYAAIISVKESSFSQPKWLESTTVSIEDYNRWASDNGFTPFST CC ATOM TNNIVAWLYAAIISV-------PKWLESTTVSIEDYNRWASDNGFTPFST CC *************** **************************** CC SEQRES STAITKLSAITGVDVCKLLRTIMVKSAQWGSDPILGQYNFEDELTPESVF CC ATOM STAITKLSAITGVDVCKLLRTIMVKSAQWGSDPILGQYNFEDELTPESVF CC ************************************************** CC SEQRES NQVGGVRLQ CC ATOM NQV------ CC *** SQ SEQUENCE 309 AA; MW; CN; GSSGFKKLVS PSSAVEKCIV SVSYRGNNLN GLWLGDSIYC PRHVLGKFSG DQWGDVLNLA NNHEFEVVTQ NGVTLNVVSR RLKGAVLILQ TAVANAETPK YKFVKANCGD SFTIACSYGG TVIGLYPVTM RSNGTIRASF LAGACGSVGF NIEKGVVNFF YMHHLELPNA LHTGTDLMGE FYGGYVDEEV AQRVPPDNLV TNNIVAWLYA AIISVKESSF SQPKWLESTT VSIEDYNRWA SDNGFTPFST STAITKLSAI TGVDVCKLLR TIMVKSAQWG SDPILGQYNF EDELTPESVF NQVGGVRLQ // ID 2Q6FB STANDARD; PRT; 309 AA. DT CONVERTED FROM PDB (SEQRES) 2Q6F DE Infectious bronchitis virus (IBV) main protease OS Infectious bronchitis virus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.216 FT #SUB 3 1 SER B 138 136 ALA A Protein B 1 FT #SUB 3 1 SER B 139 137 SER A Protein B 2 FT #SUB 3 1 SER B 140 138 PHE A Protein A 6 FT #SUB 3 1 SER B 141 139 LEU A Protein B 1 FT #SUB 3 1 SER B 166 164 GLU A Protein S 3 FT #SUB 3 1 SER B 172 170 HIS A Protein B 2 FT #SUB 4 2 GLY B 138 136 ALA A Protein B 2 FT #SUB 4 2 GLY B 139 137 SER A Protein B 3 FT #SUB 6 4 LYS B 126 124 TYR A Protein S 3 FT #SUB 6 4 LYS B 127 125 PRO A Protein S 4 FT #SUB 6 4 LYS B 137 135 ARG A Protein S 1 FT #SUB 6 4 LYS B 293 291 GLU A Protein S 1 FT #SUB 8 6 LEU B 124 122 GLY A Protein S 2 FT #SUB 8 6 LEU B 125 123 LEU A Protein A 4 FT #SUB 8 6 LEU B 126 124 TYR A Protein S 2 FT #SUB 9 7 VAL B 124 122 GLY A Protein B 2 FT #SUB 9 7 VAL B 125 123 LEU A Protein A 9 FT #SUB 11 9 PRO B 12 10 SER A Protein A 3 FT #SUB 11 9 PRO B 16 14 GLU A Protein S 3 FT #SUB 11 9 PRO B 122 120 VAL A Protein S 1 FT #SUB 11 9 PRO B 123 121 ILE A Protein S 2 FT #SUB 11 9 PRO B 124 122 GLY A Protein S 1 FT #SUB 11 9 PRO B 125 123 LEU A Protein B 1 FT #SUB 12 10 SER B 11 9 PRO A Protein S 3 FT #SUB 12 10 SER B 12 10 SER A Protein A 4 FT #SUB 12 10 SER B 16 14 GLU A Protein B 1 FT #SUB 13 11 SER B 16 14 GLU A Protein A 8 FT #SUB 16 14 GLU B 11 9 PRO A Protein S 3 FT #SUB 16 14 GLU B 12 10 SER A Protein S 1 FT #SUB 16 14 GLU B 13 11 SER A Protein S 5 FT #SUB 122 120 VAL B 11 9 PRO A Protein B 1 FT #SUB 123 121 ILE B 11 9 PRO A Protein B 2 FT #SUB 124 122 GLY B 8 6 LEU A Protein B 1 FT #SUB 124 122 GLY B 9 7 VAL A Protein B 2 FT #SUB 125 123 LEU B 8 6 LEU A Protein B 3 FT #SUB 125 123 LEU B 9 7 VAL A Protein B 7 FT #SUB 125 123 LEU B 10 8 SER A Protein S 1 FT #SUB 125 123 LEU B 11 9 PRO A Protein S 1 FT #SUB 126 124 TYR B 6 4 LYS A Protein S 4 FT #SUB 126 124 TYR B 8 6 LEU A Protein S 2 FT #SUB 127 125 PRO B 6 4 LYS A Protein B 3 FT #SUB 137 135 ARG B 6 4 LYS A Protein B 3 FT #SUB 138 136 ALA B 3 1 SER A Protein B 1 FT #SUB 138 136 ALA B 4 2 GLY A Protein B 2 FT #SUB 138 136 ALA B 6 4 LYS A Protein B 1 FT #SUB 139 137 SER B 3 1 SER A Protein B 3 FT #SUB 139 137 SER B 4 2 GLY A Protein A 3 FT #SUB 139 137 SER B 6 4 LYS A Protein S 1 FT #SUB 139 137 SER B 302 300 GLN A Protein S 4 FT #SUB 140 138 PHE B 3 1 SER A Protein B 2 FT #SUB 141 139 LEU B 302 300 GLN A Protein S 1 FT #SUB 141 139 LEU B 303 301 VAL A Protein S 1 FT #SUB 166 164 GLU B 3 1 SER A Protein S 4 FT #SUB 170 168 ALA B 3 1 SER A Protein A 2 FT #SUB 170 168 ALA B 4 2 GLY A Protein S 1 FT #SUB 172 170 HIS B 3 1 SER A Protein S 4 FT #SUB 286 284 GLY B 289 287 ASN A Protein B 3 FT #SUB 287 285 GLN B 289 287 ASN A Protein S 1 FT #SUB 288 286 TYR B 288 286 TYR A Protein A 4 FT #SUB 289 287 ASN B 286 284 GLY A Protein S 4 FT #SUB 289 287 ASN B 287 285 GLN A Protein S 2 FT #SUB 302 300 GLN B 139 137 SER A Protein S 4 FT #SUB 302 300 GLN B 141 139 LEU A Protein B 1 FT #SUB 303 301 VAL B 141 139 LEU A Protein B 1 FT #SUB 304 302 GLY B 141 139 LEU A Protein B 1 FT #SUB 3 1 SER B 5 5 PJE D Protein S 1 FT #SUB 27 25 ASN B 6 6 010 C Protein S 8 FT #SUB 28 26 ASN B 6 6 010 C Protein B 2 FT #SUB 29 27 LEU B 5 5 PJE C Protein S 1 FT #SUB 29 27 LEU B 6 6 010 C Protein S 1 FT #SUB 43 41 HIS B 4 4 LEU C Protein S 4 FT #SUB 43 41 HIS B 5 5 PJE C Protein S 1 FT #SUB 43 41 HIS B 6 6 010 C Protein A 3 FT #SUB 47 45 LYS B 4 4 LEU C Protein S 1 FT #SUB 140 138 PHE B 5 5 PJE C Protein A 3 FT #SUB 141 139 LEU B 5 5 PJE C Protein B 2 FT #SUB 142 140 ALA B 5 5 PJE C Protein B 1 FT #SUB 143 141 GLY B 5 5 PJE C Protein B 5 FT #SUB 144 142 ALA B 5 5 PJE C Protein B 1 FT #SUB 145 143 CYS B 5 5 PJE C Protein A 15 FT #SUB 163 161 HIS B 5 5 PJE C Protein S 5 FT #SUB 164 162 HIS B 4 4 LEU C Protein B 2 FT #SUB 164 162 HIS B 5 5 PJE C Protein B 1 FT #SUB 165 163 LEU B 2 2 ALA C Protein S 1 FT #SUB 165 163 LEU B 3 3 VAL C Protein A 4 FT #SUB 165 163 LEU B 4 4 LEU C Protein S 2 FT #SUB 166 164 GLU B 2 2 ALA C Protein B 3 FT #SUB 166 164 GLU B 3 3 VAL C Protein A 7 FT #SUB 166 164 GLU B 5 5 PJE C Protein A 10 FT #SUB 167 165 LEU B 2 2 ALA C Protein S 1 FT #SUB 168 166 PRO B 1 1 02J C Protein S 1 FT #SUB 172 170 HIS B 5 5 PJE C Protein S 1 FT #SUB 187 185 ASP B 4 4 LEU C Protein B 2 FT #SUB 188 186 GLU B 2 2 ALA C Protein B 1 FT #SUB 189 187 GLU B 2 2 ALA C Protein A 5 FT #SUB 189 187 GLU B 3 3 VAL C Protein S 2 FT #SUB 189 187 GLU B 4 4 LEU C Protein S 5 FT #SUB 190 188 VAL B 1 1 02J C Protein B 1 FT #SUB 190 188 VAL B 2 2 ALA C Protein B 4 FT #SUB 191 189 ALA B 1 1 02J C Protein A 5 FT #SUB 192 190 GLN B 2 2 ALA C Protein S 1 FT DISORDER 1 2 FT DISORDER 216 222 FT DISORDER 305 309 CC SEQUENCE 295 AA (ATOM); CC SGFKKLVSPS SAVEKCIVSV SYRGNNLNGL WLGDSIYCPR HVLGKFSGDQ WGDVLNLANN CC HEFEVVTQNG VTLNVVSRRL KGAVLILQTA VANAETPKYK FVKANCGDSF TIACSYGGTV CC IGLYPVTMRS NGTIRASFLA GACGSVGFNI EKGVVNFFYM HHLELPNALH TGTDLMGEFY CC GGYVDEEVAQ RVPPDNLVTN NIVAWLYAAI ISVPKWLEST TVSIEDYNRW ASDNGFTPFS CC TSTAITKLSA ITGVDVCKLL RTIMVKSAQW GSDPILGQYN FEDELTPESV FNQVG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GSSGFKKLVSPSSAVEKCIVSVSYRGNNLNGLWLGDSIYCPRHVLGKFSG CC ATOM --SGFKKLVSPSSAVEKCIVSVSYRGNNLNGLWLGDSIYCPRHVLGKFSG CC ************************************************ CC SEQRES DQWGDVLNLANNHEFEVVTQNGVTLNVVSRRLKGAVLILQTAVANAETPK CC ATOM DQWGDVLNLANNHEFEVVTQNGVTLNVVSRRLKGAVLILQTAVANAETPK CC ************************************************** CC SEQRES YKFVKANCGDSFTIACSYGGTVIGLYPVTMRSNGTIRASFLAGACGSVGF CC ATOM YKFVKANCGDSFTIACSYGGTVIGLYPVTMRSNGTIRASFLAGACGSVGF CC ************************************************** CC SEQRES NIEKGVVNFFYMHHLELPNALHTGTDLMGEFYGGYVDEEVAQRVPPDNLV CC ATOM NIEKGVVNFFYMHHLELPNALHTGTDLMGEFYGGYVDEEVAQRVPPDNLV CC ************************************************** CC SEQRES TNNIVAWLYAAIISVKESSFSQPKWLESTTVSIEDYNRWASDNGFTPFST CC ATOM TNNIVAWLYAAIISV-------PKWLESTTVSIEDYNRWASDNGFTPFST CC *************** **************************** CC SEQRES STAITKLSAITGVDVCKLLRTIMVKSAQWGSDPILGQYNFEDELTPESVF CC ATOM STAITKLSAITGVDVCKLLRTIMVKSAQWGSDPILGQYNFEDELTPESVF CC ************************************************** CC SEQRES NQVGGVRLQ CC ATOM NQVG----- CC **** SQ SEQUENCE 309 AA; MW; CN; GSSGFKKLVS PSSAVEKCIV SVSYRGNNLN GLWLGDSIYC PRHVLGKFSG DQWGDVLNLA NNHEFEVVTQ NGVTLNVVSR RLKGAVLILQ TAVANAETPK YKFVKANCGD SFTIACSYGG TVIGLYPVTM RSNGTIRASF LAGACGSVGF NIEKGVVNFF YMHHLELPNA LHTGTDLMGE FYGGYVDEEV AQRVPPDNLV TNNIVAWLYA AIISVKESSF SQPKWLESTT VSIEDYNRWA SDNGFTPFST STAITKLSAI TGVDVCKLLR TIMVKSAQWG SDPILGQYNF EDELTPESVF NQVGGVRLQ // ID 2Q6FD STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 2Q6F 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 2.000 CC R-Factor 0.216 FT #SUB 1 1 02J D 190 188 VAL A Protein A 4 FT #SUB 1 1 02J D 191 189 ALA A Protein A 5 FT #SUB 2 2 ALA D 166 164 GLU A Protein A 3 FT #SUB 2 2 ALA D 167 165 LEU A Protein S 1 FT #SUB 2 2 ALA D 188 186 GLU A Protein S 1 FT #SUB 2 2 ALA D 189 187 GLU A Protein B 4 FT #SUB 2 2 ALA D 190 188 VAL A Protein A 2 FT #SUB 2 2 ALA D 192 190 GLN A Protein S 1 FT #SUB 3 3 VAL D 165 163 LEU A Protein B 3 FT #SUB 3 3 VAL D 166 164 GLU A Protein B 7 FT #SUB 3 3 VAL D 189 187 GLU A Protein B 2 FT #SUB 4 4 LEU D 43 41 HIS A Protein S 2 FT #SUB 4 4 LEU D 47 45 LYS A Protein S 1 FT #SUB 4 4 LEU D 164 162 HIS A Protein B 2 FT #SUB 4 4 LEU D 187 185 ASP A Protein S 2 FT #SUB 4 4 LEU D 189 187 GLU A Protein A 6 FT #SUB 5 5 PJE D 43 41 HIS A Protein S 1 FT #SUB 5 5 PJE D 140 138 PHE A Protein S 4 FT #SUB 5 5 PJE D 142 140 ALA A Protein B 2 FT #SUB 5 5 PJE D 143 141 GLY A Protein B 3 FT #SUB 5 5 PJE D 145 143 CYS A Protein A 9 FT #SUB 5 5 PJE D 163 161 HIS A Protein S 5 FT #SUB 5 5 PJE D 164 162 HIS A Protein B 1 FT #SUB 5 5 PJE D 165 163 LEU A Protein S 1 FT #SUB 5 5 PJE D 166 164 GLU A Protein S 8 FT #SUB 5 5 PJE D 172 170 HIS A Protein S 2 FT #SUB 6 6 010 D 142 140 ALA A Protein S 1 FT #SUB 5 5 PJE D 3 1 SER B Protein S 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 // ID 2Q6FC STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 2Q6F 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 2.000 CC R-Factor 0.216 FT #SUB 1 1 02J C 168 166 PRO B Protein S 1 FT #SUB 1 1 02J C 190 188 VAL B Protein B 1 FT #SUB 1 1 02J C 191 189 ALA B Protein A 5 FT #SUB 2 2 ALA C 165 163 LEU B Protein S 1 FT #SUB 2 2 ALA C 166 164 GLU B Protein A 3 FT #SUB 2 2 ALA C 167 165 LEU B Protein S 1 FT #SUB 2 2 ALA C 188 186 GLU B Protein S 1 FT #SUB 2 2 ALA C 189 187 GLU B Protein B 5 FT #SUB 2 2 ALA C 190 188 VAL B Protein A 4 FT #SUB 2 2 ALA C 192 190 GLN B Protein S 1 FT #SUB 3 3 VAL C 165 163 LEU B Protein B 4 FT #SUB 3 3 VAL C 166 164 GLU B Protein B 7 FT #SUB 3 3 VAL C 189 187 GLU B Protein B 2 FT #SUB 4 4 LEU C 43 41 HIS B Protein S 4 FT #SUB 4 4 LEU C 47 45 LYS B Protein S 1 FT #SUB 4 4 LEU C 164 162 HIS B Protein B 2 FT #SUB 4 4 LEU C 165 163 LEU B Protein A 2 FT #SUB 4 4 LEU C 187 185 ASP B Protein S 2 FT #SUB 4 4 LEU C 189 187 GLU B Protein A 5 FT #SUB 5 5 PJE C 29 27 LEU B Protein B 1 FT #SUB 5 5 PJE C 43 41 HIS B Protein S 1 FT #SUB 5 5 PJE C 140 138 PHE B Protein S 3 FT #SUB 5 5 PJE C 141 139 LEU B Protein S 2 FT #SUB 5 5 PJE C 142 140 ALA B Protein S 1 FT #SUB 5 5 PJE C 143 141 GLY B Protein B 5 FT #SUB 5 5 PJE C 144 142 ALA B Protein B 1 FT #SUB 5 5 PJE C 145 143 CYS B Protein A 15 FT #SUB 5 5 PJE C 163 161 HIS B Protein S 5 FT #SUB 5 5 PJE C 164 162 HIS B Protein B 1 FT #SUB 5 5 PJE C 166 164 GLU B Protein S 10 FT #SUB 5 5 PJE C 172 170 HIS B Protein S 1 FT #SUB 6 6 010 C 27 25 ASN B Protein S 8 FT #SUB 6 6 010 C 28 26 ASN B Protein B 2 FT #SUB 6 6 010 C 29 27 LEU B Protein B 1 FT #SUB 6 6 010 C 43 41 HIS B Protein A 3 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 //