ID 5GWYA STANDARD; PRT; 308 AA. DT CONVERTED FROM PDB (SEQRES) 5GWY DE main protease OS Human coronavirus NL63 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.850 CC R-Factor 0.202 FT #SUB 9 4 LYS A 130 125 PHE B Protein S 1 FT #SUB 9 4 LYS A 131 126 GLY B Protein S 2 FT #SUB 9 4 LYS A 141 136 LYS B Protein S 2 FT #SUB 9 4 LYS A 143 138 SER B Protein S 1 FT #SUB 11 6 MET A 129 124 VAL B Protein A 3 FT #SUB 11 6 MET A 130 125 PHE B Protein S 4 FT #SUB 11 6 MET A 143 138 SER B Protein S 2 FT #SUB 12 7 ALA A 128 123 GLY B Protein B 2 FT #SUB 12 7 ALA A 129 124 VAL B Protein A 9 FT #SUB 13 8 GLN A 129 124 VAL B Protein B 1 FT #SUB 14 9 PRO A 15 10 SER B Protein A 3 FT #SUB 14 9 PRO A 19 14 GLU B Protein A 5 FT #SUB 14 9 PRO A 126 121 ALA B Protein S 3 FT #SUB 14 9 PRO A 127 122 SER B Protein S 2 FT #SUB 14 9 PRO A 128 123 GLY B Protein S 1 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 1 FT #SUB 16 11 GLY A 16 11 GLY B Protein B 1 FT #SUB 16 11 GLY A 19 14 GLU B Protein B 5 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 4 FT #SUB 20 15 ARG A 16 11 GLY B Protein S 2 FT #SUB 20 15 ARG A 20 15 ARG B Protein S 11 FT #SUB 126 121 ALA A 14 9 PRO B Protein A 3 FT #SUB 127 122 SER A 14 9 PRO B Protein B 2 FT #SUB 127 122 SER A 300 295 LYS B Protein B 1 FT #SUB 128 123 GLY A 12 7 ALA B Protein B 2 FT #SUB 128 123 GLY A 14 9 PRO B Protein B 1 FT #SUB 129 124 VAL A 11 6 MET B Protein B 3 FT #SUB 129 124 VAL A 12 7 ALA B Protein A 7 FT #SUB 129 124 VAL A 13 8 GLN B Protein S 1 FT #SUB 129 124 VAL A 129 124 VAL B Protein S 1 FT #SUB 130 125 PHE A 9 4 LYS B Protein S 5 FT #SUB 130 125 PHE A 10 5 LYS B Protein S 1 FT #SUB 130 125 PHE A 11 6 MET B Protein S 6 FT #SUB 131 126 GLY A 9 4 LYS B Protein B 2 FT #SUB 141 136 LYS A 9 4 LYS B Protein B 1 FT #SUB 142 137 GLY A 6 1 SER B Protein B 1 FT #SUB 142 137 GLY A 7 2 GLY B Protein B 2 FT #SUB 143 138 SER A 6 1 SER B Protein B 1 FT #SUB 143 138 SER A 7 2 GLY B Protein A 5 FT #SUB 143 138 SER A 9 4 LYS B Protein S 2 FT #SUB 143 138 SER A 11 6 MET B Protein A 2 FT #SUB 143 138 SER A 301 296 GLN B Protein S 4 FT #SUB 144 139 PHE A 6 1 SER B Protein B 3 FT #SUB 145 140 ILE A 6 1 SER B Protein S 1 FT #SUB 145 140 ILE A 301 296 GLN B Protein S 1 FT #SUB 145 140 ILE A 302 297 MET B Protein S 1 FT #SUB 145 140 ILE A 303 298 TYR B Protein S 1 FT #SUB 145 140 ILE A 304 299 GLY B Protein S 2 FT #SUB 171 166 GLU A 3 -2 LEU B Protein S 2 FT #SUB 171 166 GLU A 5 0 SER B Protein S 4 FT #SUB 172 167 LEU A 3 -2 LEU B Protein B 1 FT #SUB 173 168 GLY A 3 -2 LEU B Protein B 5 FT #SUB 177 172 HIS A 6 1 SER B Protein S 2 FT #SUB 286 281 TYR A 287 282 SER B Protein B 2 FT #SUB 287 282 SER A 287 282 SER B Protein A 11 FT #SUB 288 283 SER A 287 282 SER B Protein A 3 FT #SUB 301 296 GLN A 143 138 SER B Protein S 1 FT #SUB 301 296 GLN A 145 140 ILE B Protein B 1 FT #SUB 302 297 MET A 145 140 ILE B Protein B 1 FT #SUB 303 298 TYR A 145 140 ILE B Protein B 1 FT #SUB 304 299 GLY A 145 140 ILE B Protein B 2 FT #SUB 30 25 THR A 6 6 010 E Protein S 3 FT #SUB 31 26 VAL A 6 6 010 E Protein B 4 FT #SUB 32 27 LEU A 6 6 010 E Protein S 3 FT #SUB 46 41 HIS A 4 4 LEU E Protein S 3 FT #SUB 46 41 HIS A 5 5 PJE E Protein S 1 FT #SUB 46 41 HIS A 6 6 010 E Protein S 1 FT #SUB 56 51 ILE A 4 4 LEU E Protein S 1 FT #SUB 144 139 PHE A 5 5 PJE E Protein A 4 FT #SUB 145 140 ILE A 5 5 PJE E Protein B 2 FT #SUB 147 142 GLY A 5 5 PJE E Protein B 2 FT #SUB 147 142 GLY A 6 6 010 E Protein B 1 FT #SUB 149 144 CYS A 5 5 PJE E Protein A 13 FT #SUB 168 163 HIS A 5 5 PJE E Protein S 5 FT #SUB 169 164 GLN A 4 4 LEU E Protein B 4 FT #SUB 169 164 GLN A 5 5 PJE E Protein B 2 FT #SUB 170 165 ILE A 2 2 ALA E Protein S 1 FT #SUB 170 165 ILE A 3 3 VAL E Protein A 6 FT #SUB 171 166 GLU A 2 2 ALA E Protein B 2 FT #SUB 171 166 GLU A 3 3 VAL E Protein B 8 FT #SUB 171 166 GLU A 5 5 PJE E Protein A 7 FT #SUB 173 168 GLY A 1 1 02J E Protein B 2 FT #SUB 177 172 HIS A 5 5 PJE E Protein S 1 FT #SUB 192 187 ASP A 4 4 LEU E Protein A 5 FT #SUB 193 188 GLN A 2 2 ALA E Protein B 1 FT #SUB 194 189 PRO A 1 1 02J E Protein B 1 FT #SUB 194 189 PRO A 2 2 ALA E Protein A 4 FT #SUB 195 190 SER A 1 1 02J E Protein B 4 FT #SUB 195 190 SER A 2 2 ALA E Protein B 4 FT #SUB 196 191 LEU A 1 1 02J E Protein A 8 FT DISORDER 1 7 FT DISORDER 306 308 CC SEQUENCE 298 AA (ATOM); CC LKKMAQPSGC VERCVVRVCY GSTVLNGVWL GDTVTCPRHV IAPSTTVLID YDHAYSTMRL CC HNFSVSHNGV FLGVVGVTMH GSVLRIKVSQ SNVHTPKHVF KTLKPGDSFN ILACYEGIAS CC GVFGVNLRTN FTIKGSFING ACGSPGYNVR NDGTVEFCYL HQIELGSGAH VGSDFTGSVY CC GNFDDQPSLQ VESANLMLSD NVVAFLYAAL LNGCRWWLCS TRVNVDGFNE WAMANGYTSV CC SSVECYSILA AKTGVSVEQL LASIQHLHEG FGGKNILGYS SLCDEFTLAE VVKQMYGV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GPLGSSGLKKMAQPSGCVERCVVRVCYGSTVLNGVWLGDTVTCPRHVIAP CC ATOM -------LKKMAQPSGCVERCVVRVCYGSTVLNGVWLGDTVTCPRHVIAP CC ******************************************* CC SEQRES STTVLIDYDHAYSTMRLHNFSVSHNGVFLGVVGVTMHGSVLRIKVSQSNV CC ATOM STTVLIDYDHAYSTMRLHNFSVSHNGVFLGVVGVTMHGSVLRIKVSQSNV CC ************************************************** CC SEQRES HTPKHVFKTLKPGDSFNILACYEGIASGVFGVNLRTNFTIKGSFINGACG CC ATOM HTPKHVFKTLKPGDSFNILACYEGIASGVFGVNLRTNFTIKGSFINGACG CC ************************************************** CC SEQRES SPGYNVRNDGTVEFCYLHQIELGSGAHVGSDFTGSVYGNFDDQPSLQVES CC ATOM SPGYNVRNDGTVEFCYLHQIELGSGAHVGSDFTGSVYGNFDDQPSLQVES CC ************************************************** CC SEQRES ANLMLSDNVVAFLYAALLNGCRWWLCSTRVNVDGFNEWAMANGYTSVSSV CC ATOM ANLMLSDNVVAFLYAALLNGCRWWLCSTRVNVDGFNEWAMANGYTSVSSV CC ************************************************** CC SEQRES ECYSILAAKTGVSVEQLLASIQHLHEGFGGKNILGYSSLCDEFTLAEVVK CC ATOM ECYSILAAKTGVSVEQLLASIQHLHEGFGGKNILGYSSLCDEFTLAEVVK CC ************************************************** CC SEQRES QMYGVNLQ CC ATOM QMYGV--- CC ***** SQ SEQUENCE 308 AA; MW; CN; GPLGSSGLKK MAQPSGCVER CVVRVCYGST VLNGVWLGDT VTCPRHVIAP STTVLIDYDH AYSTMRLHNF SVSHNGVFLG VVGVTMHGSV LRIKVSQSNV HTPKHVFKTL KPGDSFNILA CYEGIASGVF GVNLRTNFTI KGSFINGACG SPGYNVRNDG TVEFCYLHQI ELGSGAHVGS DFTGSVYGNF DDQPSLQVES ANLMLSDNVV AFLYAALLNG CRWWLCSTRV NVDGFNEWAM ANGYTSVSSV ECYSILAAKT GVSVEQLLAS IQHLHEGFGG KNILGYSSLC DEFTLAEVVK QMYGVNLQ // ID 5GWYB STANDARD; PRT; 308 AA. DT CONVERTED FROM PDB (SEQRES) 5GWY DE main protease OS Human coronavirus NL63 CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.850 CC R-Factor 0.202 FT #SUB 3 -2 LEU B 171 166 GLU A Protein B 2 FT #SUB 3 -2 LEU B 172 167 LEU A Protein B 1 FT #SUB 3 -2 LEU B 173 168 GLY A Protein A 5 FT #SUB 5 0 SER B 171 166 GLU A Protein B 4 FT #SUB 6 1 SER B 142 137 GLY A Protein B 1 FT #SUB 6 1 SER B 143 138 SER A Protein B 1 FT #SUB 6 1 SER B 144 139 PHE A Protein A 3 FT #SUB 6 1 SER B 145 140 ILE A Protein S 1 FT #SUB 6 1 SER B 177 172 HIS A Protein B 2 FT #SUB 7 2 GLY B 142 137 GLY A Protein B 2 FT #SUB 7 2 GLY B 143 138 SER A Protein B 5 FT #SUB 9 4 LYS B 130 125 PHE A Protein S 5 FT #SUB 9 4 LYS B 131 126 GLY A Protein S 2 FT #SUB 9 4 LYS B 141 136 LYS A Protein S 1 FT #SUB 9 4 LYS B 143 138 SER A Protein A 2 FT #SUB 10 5 LYS B 130 125 PHE A Protein B 1 FT #SUB 11 6 MET B 129 124 VAL A Protein A 3 FT #SUB 11 6 MET B 130 125 PHE A Protein S 6 FT #SUB 11 6 MET B 143 138 SER A Protein S 2 FT #SUB 12 7 ALA B 128 123 GLY A Protein B 2 FT #SUB 12 7 ALA B 129 124 VAL A Protein B 7 FT #SUB 13 8 GLN B 129 124 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 126 121 ALA A Protein S 3 FT #SUB 14 9 PRO B 127 122 SER A Protein S 2 FT #SUB 14 9 PRO B 128 123 GLY A Protein S 1 FT #SUB 15 10 SER B 14 9 PRO A Protein S 3 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 1 FT #SUB 16 11 GLY B 19 14 GLU A Protein B 4 FT #SUB 16 11 GLY B 20 15 ARG A Protein B 2 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 1 FT #SUB 19 14 GLU B 16 11 GLY A Protein S 5 FT #SUB 20 15 ARG B 20 15 ARG A Protein S 11 FT #SUB 126 121 ALA B 14 9 PRO A Protein A 3 FT #SUB 127 122 SER B 14 9 PRO A Protein B 2 FT #SUB 128 123 GLY B 12 7 ALA A Protein B 2 FT #SUB 128 123 GLY B 14 9 PRO A Protein B 1 FT #SUB 129 124 VAL B 11 6 MET A Protein B 3 FT #SUB 129 124 VAL B 12 7 ALA A Protein A 9 FT #SUB 129 124 VAL B 13 8 GLN A Protein S 1 FT #SUB 129 124 VAL B 129 124 VAL A Protein S 1 FT #SUB 130 125 PHE B 9 4 LYS A Protein S 1 FT #SUB 130 125 PHE B 11 6 MET A Protein S 4 FT #SUB 131 126 GLY B 9 4 LYS A Protein B 2 FT #SUB 141 136 LYS B 9 4 LYS A Protein B 2 FT #SUB 143 138 SER B 9 4 LYS A Protein S 1 FT #SUB 143 138 SER B 11 6 MET A Protein S 2 FT #SUB 143 138 SER B 301 296 GLN A Protein S 1 FT #SUB 145 140 ILE B 301 296 GLN A Protein S 1 FT #SUB 145 140 ILE B 302 297 MET A Protein S 1 FT #SUB 145 140 ILE B 303 298 TYR A Protein S 1 FT #SUB 145 140 ILE B 304 299 GLY A Protein S 2 FT #SUB 287 282 SER B 286 281 TYR A Protein S 2 FT #SUB 287 282 SER B 287 282 SER A Protein A 11 FT #SUB 287 282 SER B 288 283 SER A Protein S 3 FT #SUB 300 295 LYS B 127 122 SER A Protein S 1 FT #SUB 301 296 GLN B 143 138 SER A Protein S 4 FT #SUB 301 296 GLN B 145 140 ILE A Protein B 1 FT #SUB 302 297 MET B 145 140 ILE A Protein B 1 FT #SUB 303 298 TYR B 145 140 ILE A Protein B 1 FT #SUB 304 299 GLY B 145 140 ILE A Protein B 2 FT #SUB 30 25 THR B 6 6 010 D Protein S 4 FT #SUB 31 26 VAL B 6 6 010 D Protein B 3 FT #SUB 46 41 HIS B 4 4 LEU D Protein S 1 FT #SUB 52 47 THR B 4 4 LEU D Protein B 1 FT #SUB 52 47 THR B 6 6 010 D Protein S 1 FT #SUB 56 51 ILE B 4 4 LEU D Protein S 1 FT #SUB 144 139 PHE B 5 5 PJE D Protein A 5 FT #SUB 145 140 ILE B 5 5 PJE D Protein B 2 FT #SUB 147 142 GLY B 5 5 PJE D Protein B 4 FT #SUB 149 144 CYS B 4 4 LEU D Protein S 1 FT #SUB 149 144 CYS B 5 5 PJE D Protein A 10 FT #SUB 168 163 HIS B 5 5 PJE D Protein S 5 FT #SUB 169 164 GLN B 4 4 LEU D Protein B 2 FT #SUB 169 164 GLN B 5 5 PJE D Protein B 2 FT #SUB 170 165 ILE B 2 2 ALA D Protein S 1 FT #SUB 170 165 ILE B 3 3 VAL D Protein A 3 FT #SUB 171 166 GLU B 2 2 ALA D Protein B 3 FT #SUB 171 166 GLU B 3 3 VAL D Protein B 4 FT #SUB 171 166 GLU B 5 5 PJE D Protein S 8 FT #SUB 172 167 LEU B 2 2 ALA D Protein A 4 FT #SUB 173 168 GLY B 1 1 02J D Protein B 4 FT #SUB 173 168 GLY B 2 2 ALA D Protein B 2 FT #SUB 177 172 HIS B 5 5 PJE D Protein S 2 FT #SUB 192 187 ASP B 4 4 LEU D Protein B 2 FT #SUB 193 188 GLN B 4 4 LEU D Protein B 3 FT #SUB 194 189 PRO B 2 2 ALA D Protein A 4 FT #SUB 194 189 PRO B 4 4 LEU D Protein S 1 FT #SUB 195 190 SER B 1 1 02J D Protein B 2 FT #SUB 195 190 SER B 2 2 ALA D Protein B 3 FT #SUB 196 191 LEU B 1 1 02J D Protein A 11 FT #SUB 3 -2 LEU B 1 1 02J E Protein S 3 FT DISORDER 1 2 FT DISORDER 308 308 CC SEQUENCE 305 AA (ATOM); CC LGSSGLKKMA QPSGCVERCV VRVCYGSTVL NGVWLGDTVT CPRHVIAPST TVLIDYDHAY CC STMRLHNFSV SHNGVFLGVV GVTMHGSVLR IKVSQSNVHT PKHVFKTLKP GDSFNILACY CC EGIASGVFGV NLRTNFTIKG SFINGACGSP GYNVRNDGTV EFCYLHQIEL GSGAHVGSDF CC TGSVYGNFDD QPSLQVESAN LMLSDNVVAF LYAALLNGCR WWLCSTRVNV DGFNEWAMAN CC GYTSVSSVEC YSILAAKTGV SVEQLLASIQ HLHEGFGGKN ILGYSSLCDE FTLAEVVKQM CC YGVNL CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GPLGSSGLKKMAQPSGCVERCVVRVCYGSTVLNGVWLGDTVTCPRHVIAP CC ATOM --LGSSGLKKMAQPSGCVERCVVRVCYGSTVLNGVWLGDTVTCPRHVIAP CC ************************************************ CC SEQRES STTVLIDYDHAYSTMRLHNFSVSHNGVFLGVVGVTMHGSVLRIKVSQSNV CC ATOM STTVLIDYDHAYSTMRLHNFSVSHNGVFLGVVGVTMHGSVLRIKVSQSNV CC ************************************************** CC SEQRES HTPKHVFKTLKPGDSFNILACYEGIASGVFGVNLRTNFTIKGSFINGACG CC ATOM HTPKHVFKTLKPGDSFNILACYEGIASGVFGVNLRTNFTIKGSFINGACG CC ************************************************** CC SEQRES SPGYNVRNDGTVEFCYLHQIELGSGAHVGSDFTGSVYGNFDDQPSLQVES CC ATOM SPGYNVRNDGTVEFCYLHQIELGSGAHVGSDFTGSVYGNFDDQPSLQVES CC ************************************************** CC SEQRES ANLMLSDNVVAFLYAALLNGCRWWLCSTRVNVDGFNEWAMANGYTSVSSV CC ATOM ANLMLSDNVVAFLYAALLNGCRWWLCSTRVNVDGFNEWAMANGYTSVSSV CC ************************************************** CC SEQRES ECYSILAAKTGVSVEQLLASIQHLHEGFGGKNILGYSSLCDEFTLAEVVK CC ATOM ECYSILAAKTGVSVEQLLASIQHLHEGFGGKNILGYSSLCDEFTLAEVVK CC ************************************************** CC SEQRES QMYGVNLQ CC ATOM QMYGVNL- CC ******* SQ SEQUENCE 308 AA; MW; CN; GPLGSSGLKK MAQPSGCVER CVVRVCYGST VLNGVWLGDT VTCPRHVIAP STTVLIDYDH AYSTMRLHNF SVSHNGVFLG VVGVTMHGSV LRIKVSQSNV HTPKHVFKTL KPGDSFNILA CYEGIASGVF GVNLRTNFTI KGSFINGACG SPGYNVRNDG TVEFCYLHQI ELGSGAHVGS DFTGSVYGNF DDQPSLQVES ANLMLSDNVV AFLYAALLNG CRWWLCSTRV NVDGFNEWAM ANGYTSVSSV ECYSILAAKT GVSVEQLLAS IQHLHEGFGG KNILGYSSLC DEFTLAEVVK QMYGVNLQ // ID 5GWYD STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 5GWY 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 2.850 CC R-Factor 0.202 FT #SUB 1 1 02J D 173 168 GLY B Protein B 4 FT #SUB 1 1 02J D 195 190 SER B Protein B 2 FT #SUB 1 1 02J D 196 191 LEU B Protein A 11 FT #SUB 2 2 ALA D 170 165 ILE B Protein S 1 FT #SUB 2 2 ALA D 171 166 GLU B Protein A 3 FT #SUB 2 2 ALA D 172 167 LEU B Protein A 4 FT #SUB 2 2 ALA D 173 168 GLY B Protein B 2 FT #SUB 2 2 ALA D 194 189 PRO B Protein B 4 FT #SUB 2 2 ALA D 195 190 SER B Protein A 3 FT #SUB 3 3 VAL D 170 165 ILE B Protein B 3 FT #SUB 3 3 VAL D 171 166 GLU B Protein B 4 FT #SUB 4 4 LEU D 46 41 HIS B Protein S 1 FT #SUB 4 4 LEU D 52 47 THR B Protein S 1 FT #SUB 4 4 LEU D 56 51 ILE B Protein S 1 FT #SUB 4 4 LEU D 149 144 CYS B Protein B 1 FT #SUB 4 4 LEU D 169 164 GLN B Protein B 2 FT #SUB 4 4 LEU D 192 187 ASP B Protein S 2 FT #SUB 4 4 LEU D 193 188 GLN B Protein S 3 FT #SUB 4 4 LEU D 194 189 PRO B Protein S 1 FT #SUB 5 5 PJE D 144 139 PHE B Protein S 5 FT #SUB 5 5 PJE D 145 140 ILE B Protein S 2 FT #SUB 5 5 PJE D 147 142 GLY B Protein A 4 FT #SUB 5 5 PJE D 149 144 CYS B Protein A 10 FT #SUB 5 5 PJE D 168 163 HIS B Protein S 5 FT #SUB 5 5 PJE D 169 164 GLN B Protein B 2 FT #SUB 5 5 PJE D 171 166 GLU B Protein S 8 FT #SUB 5 5 PJE D 177 172 HIS B Protein S 2 FT #SUB 6 6 010 D 30 25 THR B Protein A 4 FT #SUB 6 6 010 D 31 26 VAL B Protein S 3 FT #SUB 6 6 010 D 52 47 THR 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 5GWYE STANDARD; PRT; 6 AA. DT CONVERTED FROM PDB (SEQRES) 5GWY 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 2.850 CC R-Factor 0.202 FT #SUB 1 1 02J E 173 168 GLY A Protein B 2 FT #SUB 1 1 02J E 194 189 PRO A Protein B 1 FT #SUB 1 1 02J E 195 190 SER A Protein B 4 FT #SUB 1 1 02J E 196 191 LEU A Protein A 8 FT #SUB 2 2 ALA E 170 165 ILE A Protein S 1 FT #SUB 2 2 ALA E 171 166 GLU A Protein B 2 FT #SUB 2 2 ALA E 193 188 GLN A Protein S 1 FT #SUB 2 2 ALA E 194 189 PRO A Protein B 4 FT #SUB 2 2 ALA E 195 190 SER A Protein A 4 FT #SUB 3 3 VAL E 170 165 ILE A Protein B 6 FT #SUB 3 3 VAL E 171 166 GLU A Protein A 8 FT #SUB 4 4 LEU E 46 41 HIS A Protein S 3 FT #SUB 4 4 LEU E 56 51 ILE A Protein S 1 FT #SUB 4 4 LEU E 169 164 GLN A Protein A 4 FT #SUB 4 4 LEU E 192 187 ASP A Protein S 5 FT #SUB 5 5 PJE E 46 41 HIS A Protein S 1 FT #SUB 5 5 PJE E 144 139 PHE A Protein S 4 FT #SUB 5 5 PJE E 145 140 ILE A Protein S 2 FT #SUB 5 5 PJE E 147 142 GLY A Protein B 2 FT #SUB 5 5 PJE E 149 144 CYS A Protein A 13 FT #SUB 5 5 PJE E 168 163 HIS A Protein S 5 FT #SUB 5 5 PJE E 169 164 GLN A Protein B 2 FT #SUB 5 5 PJE E 171 166 GLU A Protein S 7 FT #SUB 5 5 PJE E 177 172 HIS A Protein S 1 FT #SUB 6 6 010 E 30 25 THR A Protein S 3 FT #SUB 6 6 010 E 31 26 VAL A Protein A 4 FT #SUB 6 6 010 E 32 27 LEU A Protein B 3 FT #SUB 6 6 010 E 46 41 HIS A Protein B 1 FT #SUB 6 6 010 E 147 142 GLY A Protein B 1 FT #SUB 1 1 02J E 3 -2 LEU 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 //