ID 1RHKA STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 1RHK DE Caspase-3 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.190 FT #SUB 6 150 ASP A 96 396 LYS B Protein S 1 FT #SUB 7 151 ASN A 96 396 LYS B Protein B 4 FT #SUB 7 151 ASN A 97 397 GLU B Protein B 3 FT #SUB 8 152 SER A 96 396 LYS B Protein B 5 FT #SUB 8 152 SER A 97 397 GLU B Protein A 4 FT #SUB 9 153 TYR A 17 326 ASP B Protein S 6 FT #SUB 9 153 TYR A 94 394 LEU B Protein S 4 FT #SUB 9 153 TYR A 95 395 THR B Protein S 4 FT #SUB 9 153 TYR A 96 396 LYS B Protein A 12 FT #SUB 9 153 TYR A 97 397 GLU B Protein A 4 FT #SUB 11 155 MET A 98 398 LEU B Protein S 2 FT #SUB 11 155 MET A 99 399 TYR B Protein S 2 FT #SUB 35 178 SER A 32 341 ARG B Protein B 1 FT #SUB 36 179 ARG A 32 341 ARG B Protein A 9 FT #SUB 37 180 SER A 32 341 ARG B Protein B 9 FT #SUB 37 180 SER A 33 342 ASN B Protein B 1 FT #SUB 37 180 SER A 34 343 SER B Protein B 2 FT #SUB 38 181 GLY A 33 342 ASN B Protein B 1 FT #SUB 38 181 GLY A 34 343 SER B Protein B 3 FT #SUB 38 181 GLY A 37 346 GLY B Protein B 1 FT #SUB 41 184 VAL A 35 344 LYS B Protein S 1 FT #SUB 41 184 VAL A 36 345 ASP B Protein S 1 FT #SUB 42 185 ASP A 37 346 GLY B Protein S 2 FT #SUB 42 185 ASP A 38 347 SER B Protein S 8 FT #SUB 42 185 ASP A 41 350 ILE B Protein A 11 FT #SUB 45 188 ASN A 45 354 CYS B Protein A 8 FT #SUB 45 188 ASN A 49 358 LYS B Protein S 3 FT #SUB 46 189 LEU A 41 350 ILE B Protein S 3 FT #SUB 46 189 LEU A 45 354 CYS B Protein A 4 FT #SUB 49 192 THR A 45 354 CYS B Protein S 2 FT #SUB 49 192 THR A 48 357 LEU B Protein S 2 FT #SUB 49 192 THR A 49 358 LYS B Protein S 1 FT #SUB 50 193 PHE A 48 357 LEU B Protein S 1 FT #SUB 53 196 LEU A 52 361 ALA B Protein S 1 FT #SUB 55 198 TYR A 100 400 PHE B Protein S 3 FT #SUB 96 240 GLU A 26 335 PRO B Protein S 2 FT #SUB 96 240 GLU A 27 336 GLY B Protein S 1 FT #SUB 108 258 LEU A 22 331 TYR B Protein S 1 FT #SUB 112 262 THR A 18 327 PHE B Protein A 2 FT #SUB 112 262 THR A 20 329 TYR B Protein S 2 FT #SUB 115 265 PHE A 18 327 PHE B Protein B 2 FT #SUB 116 266 ARG A 14 323 VAL B Protein A 6 FT #SUB 116 266 ARG A 15 324 GLU B Protein S 1 FT #SUB 116 266 ARG A 18 327 PHE B Protein A 4 FT #SUB 117 267 GLY A 14 323 VAL B Protein B 1 FT #SUB 118 268 ASP A 14 323 VAL B Protein S 4 FT #SUB 125 275 GLY A 17 326 ASP B Protein B 3 FT #SUB 126 276 LYS A 17 326 ASP B Protein B 2 FT #SUB 127 277 PRO A 17 326 ASP B Protein B 2 FT #SUB 128 278 LYS A 16 325 ALA B Protein S 1 FT #SUB 128 278 LYS A 17 326 ASP B Protein A 7 FT #SUB 128 278 LYS A 18 327 PHE B Protein A 5 FT #SUB 128 278 LYS A 19 328 LEU B Protein B 3 FT #SUB 129 279 LEU A 19 328 LEU B Protein A 4 FT #SUB 129 279 LEU A 98 398 LEU B Protein S 2 FT #SUB 130 280 PHE A 18 327 PHE B Protein S 2 FT #SUB 130 280 PHE A 19 328 LEU B Protein A 6 FT #SUB 130 280 PHE A 20 329 TYR B Protein A 3 FT #SUB 130 280 PHE A 21 330 ALA B Protein B 3 FT #SUB 131 281 ILE A 21 330 ALA B Protein B 2 FT #SUB 131 281 ILE A 40 349 PHE B Protein S 1 FT #SUB 131 281 ILE A 44 353 LEU B Protein S 1 FT #SUB 132 282 ILE A 21 330 ALA B Protein B 2 FT #SUB 132 282 ILE A 22 331 TYR B Protein B 2 FT #SUB 132 282 ILE A 23 332 SER B Protein B 4 FT #SUB 133 283 GLN A 23 332 SER B Protein A 3 FT #SUB 133 283 GLN A 30 339 SER B Protein S 3 FT #SUB 133 283 GLN A 31 340 TRP B Protein S 1 FT #SUB 133 283 GLN A 38 347 SER B Protein S 8 FT #SUB 133 283 GLN A 40 349 PHE B Protein S 2 FT #SUB 134 284 ALA A 23 332 SER B Protein B 2 FT #SUB 134 284 ALA A 30 339 SER B Protein B 2 FT #SUB 135 285 CYS A 29 338 TYR B Protein S 1 FT #SUB 135 285 CYS A 30 339 SER B Protein S 1 FT #SUB 136 286 ARG A 22 331 TYR B Protein S 15 FT #SUB 136 286 ARG A 24 333 THR B Protein S 4 FT #SUB 136 286 ARG A 25 334 ALA B Protein S 3 FT #SUB 136 286 ARG A 26 335 PRO B Protein S 5 FT #SUB 136 286 ARG A 27 336 GLY B Protein A 8 FT #SUB 136 286 ARG A 28 337 TYR B Protein A 5 FT #SUB 136 286 ARG A 89 388 CYS B Protein S 2 FT #SUB 137 287 GLY A 27 336 GLY B Protein B 5 FT #SUB 137 287 GLY A 28 337 TYR B Protein B 4 FT #SUB 137 287 GLY A 29 338 TYR B Protein B 5 FT #SUB 138 288 THR A 27 336 GLY B Protein B 1 FT #SUB 138 288 THR A 29 338 TYR B Protein A 14 FT #SUB 139 289 GLU A 27 336 GLY B Protein A 5 FT #SUB 139 289 GLU A 28 337 TYR B Protein A 13 FT #SUB 139 289 GLU A 29 338 TYR B Protein B 5 FT #SUB 140 290 LEU A 28 337 TYR B Protein B 4 FT #SUB 140 290 LEU A 29 338 TYR B Protein S 2 FT #SUB 140 290 LEU A 31 340 TRP B Protein S 1 FT #SUB 140 290 LEU A 80 381G THR B Protein S 2 FT #SUB 140 290 LEU A 84 383 LYS B Protein S 1 FT #SUB 141 291 ASP A 28 337 TYR B Protein A 4 FT #SUB 141 291 ASP A 84 383 LYS B Protein B 4 FT #SUB 141 291 ASP A 85 384 LYS B Protein A 7 FT #SUB 142 292 CYS A 84 383 LYS B Protein S 2 FT #SUB 36 179 ARG A 5 505 FPR C Protein S 10 FT #SUB 92 236 SER A 5 505 FPR C Protein B 2 FT #SUB 93 237 HIS A 5 505 FPR C Protein A 8 FT #SUB 94 238 GLY A 5 505 FPR C Protein B 2 FT #SUB 95 239 GLU A 5 505 FPR C Protein S 4 FT #SUB 133 283 GLN A 5 505 FPR C Protein S 3 FT #SUB 135 285 CYS A 5 505 FPR C Protein A 16 FT DISORDER 1 5 FT DISORDER 146 147 CC SEQUENCE 140 AA (ATOM); CC DNSYKMDYPE MGLCIIINNK NFHKSTGMTS RSGTDVDAAN LRETFRNLKY EVRNKNDLTR CC EEIVELMRDV SKEDHSKRSS FVCVLLSHGE EGIIFGTNGP VDLKKITNFF RGDRCRSLTG CC KPKLFIIQAC RGTELDCGIE CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SGISLDNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANLRETF CC ATOM -----DNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANLRETF CC ********************************************* CC SEQRES RNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLSHGEEGIIF CC ATOM RNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLSHGEEGIIF CC ************************************************** CC SEQRES GTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETD CC ATOM GTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIE-- CC ********************************************* SQ SEQUENCE 147 AA; MW; CN; SGISLDNSYK MDYPEMGLCI IINNKNFHKS TGMTSRSGTD VDAANLRETF RNLKYEVRNK NDLTREEIVE LMRDVSKEDH SKRSSFVCVL LSHGEEGIIF GTNGPVDLKK ITNFFRGDRC RSLTGKPKLF IIQACRGTEL DCGIETD // ID 1RHKB STANDARD; PRT; 102 AA. DT CONVERTED FROM PDB (SEQRES) 1RHK DE Caspase-3 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.190 FT #SUB 14 323 VAL B 116 266 ARG A Protein A 6 FT #SUB 14 323 VAL B 117 267 GLY A Protein B 1 FT #SUB 14 323 VAL B 118 268 ASP A Protein S 4 FT #SUB 15 324 GLU B 116 266 ARG A Protein S 1 FT #SUB 16 325 ALA B 128 278 LYS A Protein B 1 FT #SUB 17 326 ASP B 9 153 TYR A Protein A 6 FT #SUB 17 326 ASP B 125 275 GLY A Protein S 3 FT #SUB 17 326 ASP B 126 276 LYS A Protein A 2 FT #SUB 17 326 ASP B 127 277 PRO A Protein B 2 FT #SUB 17 326 ASP B 128 278 LYS A Protein A 7 FT #SUB 18 327 PHE B 112 262 THR A Protein S 2 FT #SUB 18 327 PHE B 115 265 PHE A Protein S 2 FT #SUB 18 327 PHE B 116 266 ARG A Protein S 4 FT #SUB 18 327 PHE B 128 278 LYS A Protein A 5 FT #SUB 18 327 PHE B 130 280 PHE A Protein S 2 FT #SUB 19 328 LEU B 128 278 LYS A Protein B 3 FT #SUB 19 328 LEU B 129 279 LEU A Protein A 4 FT #SUB 19 328 LEU B 130 280 PHE A Protein B 6 FT #SUB 20 329 TYR B 112 262 THR A Protein S 2 FT #SUB 20 329 TYR B 130 280 PHE A Protein A 3 FT #SUB 21 330 ALA B 130 280 PHE A Protein B 3 FT #SUB 21 330 ALA B 131 281 ILE A Protein B 2 FT #SUB 21 330 ALA B 132 282 ILE A Protein B 2 FT #SUB 22 331 TYR B 108 258 LEU A Protein S 1 FT #SUB 22 331 TYR B 132 282 ILE A Protein B 2 FT #SUB 22 331 TYR B 136 286 ARG A Protein S 15 FT #SUB 23 332 SER B 132 282 ILE A Protein A 4 FT #SUB 23 332 SER B 133 283 GLN A Protein S 3 FT #SUB 23 332 SER B 134 284 ALA A Protein S 2 FT #SUB 24 333 THR B 136 286 ARG A Protein A 4 FT #SUB 25 334 ALA B 136 286 ARG A Protein B 3 FT #SUB 26 335 PRO B 96 240 GLU A Protein B 2 FT #SUB 26 335 PRO B 136 286 ARG A Protein A 5 FT #SUB 27 336 GLY B 96 240 GLU A Protein B 1 FT #SUB 27 336 GLY B 136 286 ARG A Protein B 8 FT #SUB 27 336 GLY B 137 287 GLY A Protein B 5 FT #SUB 27 336 GLY B 138 288 THR A Protein B 1 FT #SUB 27 336 GLY B 139 289 GLU A Protein B 5 FT #SUB 28 337 TYR B 136 286 ARG A Protein B 5 FT #SUB 28 337 TYR B 137 287 GLY A Protein B 4 FT #SUB 28 337 TYR B 139 289 GLU A Protein A 13 FT #SUB 28 337 TYR B 140 290 LEU A Protein S 4 FT #SUB 28 337 TYR B 141 291 ASP A Protein S 4 FT #SUB 29 338 TYR B 135 285 CYS A Protein S 1 FT #SUB 29 338 TYR B 137 287 GLY A Protein A 5 FT #SUB 29 338 TYR B 138 288 THR A Protein S 14 FT #SUB 29 338 TYR B 139 289 GLU A Protein A 5 FT #SUB 29 338 TYR B 140 290 LEU A Protein S 2 FT #SUB 30 339 SER B 133 283 GLN A Protein S 3 FT #SUB 30 339 SER B 134 284 ALA A Protein S 2 FT #SUB 30 339 SER B 135 285 CYS A Protein B 1 FT #SUB 31 340 TRP B 133 283 GLN A Protein B 1 FT #SUB 31 340 TRP B 140 290 LEU A Protein S 1 FT #SUB 32 341 ARG B 35 178 SER A Protein S 1 FT #SUB 32 341 ARG B 36 179 ARG A Protein S 9 FT #SUB 32 341 ARG B 37 180 SER A Protein S 9 FT #SUB 33 342 ASN B 37 180 SER A Protein B 1 FT #SUB 33 342 ASN B 38 181 GLY A Protein B 1 FT #SUB 34 343 SER B 37 180 SER A Protein B 2 FT #SUB 34 343 SER B 38 181 GLY A Protein B 3 FT #SUB 35 344 LYS B 41 184 VAL A Protein B 1 FT #SUB 36 345 ASP B 41 184 VAL A Protein B 1 FT #SUB 37 346 GLY B 38 181 GLY A Protein B 1 FT #SUB 37 346 GLY B 42 185 ASP A Protein B 2 FT #SUB 38 347 SER B 42 185 ASP A Protein A 8 FT #SUB 38 347 SER B 133 283 GLN A Protein S 8 FT #SUB 40 349 PHE B 131 281 ILE A Protein S 1 FT #SUB 40 349 PHE B 133 283 GLN A Protein S 2 FT #SUB 41 350 ILE B 42 185 ASP A Protein S 11 FT #SUB 41 350 ILE B 46 189 LEU A Protein S 3 FT #SUB 44 353 LEU B 131 281 ILE A Protein S 1 FT #SUB 45 354 CYS B 45 188 ASN A Protein S 8 FT #SUB 45 354 CYS B 46 189 LEU A Protein S 4 FT #SUB 45 354 CYS B 49 192 THR A Protein S 2 FT #SUB 48 357 LEU B 49 192 THR A Protein S 2 FT #SUB 48 357 LEU B 50 193 PHE A Protein S 1 FT #SUB 49 358 LYS B 45 188 ASN A Protein S 3 FT #SUB 49 358 LYS B 49 192 THR A Protein S 1 FT #SUB 52 361 ALA B 53 196 LEU A Protein S 1 FT #SUB 80 381G THR B 140 290 LEU A Protein B 2 FT #SUB 84 383 LYS B 140 290 LEU A Protein S 1 FT #SUB 84 383 LYS B 141 291 ASP A Protein A 4 FT #SUB 84 383 LYS B 142 292 CYS A Protein S 2 FT #SUB 85 384 LYS B 141 291 ASP A Protein A 7 FT #SUB 89 388 CYS B 136 286 ARG A Protein S 2 FT #SUB 94 394 LEU B 9 153 TYR A Protein A 4 FT #SUB 95 395 THR B 9 153 TYR A Protein A 4 FT #SUB 96 396 LYS B 6 150 ASP A Protein S 1 FT #SUB 96 396 LYS B 7 151 ASN A Protein A 4 FT #SUB 96 396 LYS B 8 152 SER A Protein S 5 FT #SUB 96 396 LYS B 9 153 TYR A Protein A 12 FT #SUB 97 397 GLU B 7 151 ASN A Protein A 3 FT #SUB 97 397 GLU B 8 152 SER A Protein B 4 FT #SUB 97 397 GLU B 9 153 TYR A Protein B 4 FT #SUB 98 398 LEU B 11 155 MET A Protein S 2 FT #SUB 98 398 LEU B 129 279 LEU A Protein S 2 FT #SUB 99 399 TYR B 11 155 MET A Protein B 2 FT #SUB 100 400 PHE B 55 198 TYR A Protein S 3 FT #SUB 29 338 TYR B 4 504 VAL C Protein S 1 FT #SUB 30 339 SER B 3 503 GLU C Protein B 1 FT #SUB 30 339 SER B 4 504 VAL C Protein B 4 FT #SUB 30 339 SER B 5 505 FPR C Protein B 2 FT #SUB 31 340 TRP B 2 502 ASP C Protein S 2 FT #SUB 31 340 TRP B 3 503 GLU C Protein A 4 FT #SUB 31 340 TRP B 4 504 VAL C Protein S 4 FT #SUB 32 341 ARG B 1 501 ACE C Protein B 1 FT #SUB 32 341 ARG B 2 502 ASP C Protein B 2 FT #SUB 32 341 ARG B 3 503 GLU C Protein A 16 FT #SUB 32 341 ARG B 4 504 VAL C Protein S 2 FT #SUB 32 341 ARG B 5 505 FPR C Protein S 6 FT #SUB 33 342 ASN B 1 501 ACE C Protein A 5 FT #SUB 33 342 ASN B 2 502 ASP C Protein S 5 FT #SUB 34 343 SER B 1 501 ACE C Protein A 6 FT #SUB 34 343 SER B 3 503 GLU C Protein S 3 FT #SUB 74 381A SER B 2 502 ASP C Protein A 3 FT #SUB 75 381B PHE B 2 502 ASP C Protein B 3 FT DISORDER 1 10 FT DISORDER 102 102 CC SEQUENCE 91 AA (ATOM); CC KIPVEADFLY AYSTAPGYYS WRNSKDGSWF IQSLCAMLKQ YADKLEFMHI LTRVNRKVAT CC EFESFSFDAT FHAKKQIPCI VSMLTKELYF Y CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SGVDDDMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQ CC ATOM ----------KIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQ CC **************************************** CC SEQRES YADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIPCIVSMLTKELYF CC ATOM YADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIPCIVSMLTKELYF CC ************************************************** CC SEQRES YH CC ATOM Y- CC * SQ SEQUENCE 102 AA; MW; CN; SGVDDDMACH KIPVEADFLY AYSTAPGYYS WRNSKDGSWF IQSLCAMLKQ YADKLEFMHI LTRVNRKVAT EFESFSFDAT FHAKKQIPCI VSMLTKELYF YH // ID 1RHKC STANDARD; PRT; 5 AA. DT CONVERTED FROM PDB (SEQRES) 1RHK DE acetyl-asp-glu-val-fpr OS syntetic CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.190 FT #SUB 5 505 FPR C 36 179 ARG A Protein S 10 FT #SUB 5 505 FPR C 92 236 SER A Protein S 2 FT #SUB 5 505 FPR C 93 237 HIS A Protein A 8 FT #SUB 5 505 FPR C 94 238 GLY A Protein A 2 FT #SUB 5 505 FPR C 95 239 GLU A Protein S 4 FT #SUB 5 505 FPR C 133 283 GLN A Protein S 3 FT #SUB 5 505 FPR C 135 285 CYS A Protein A 16 FT #SUB 1 501 ACE C 32 341 ARG B Protein B 1 FT #SUB 1 501 ACE C 33 342 ASN B Protein B 5 FT #SUB 1 501 ACE C 34 343 SER B Protein B 6 FT #SUB 2 502 ASP C 31 340 TRP B Protein S 2 FT #SUB 2 502 ASP C 32 341 ARG B Protein B 2 FT #SUB 2 502 ASP C 33 342 ASN B Protein A 5 FT #SUB 2 502 ASP C 74 381A SER B Protein S 3 FT #SUB 2 502 ASP C 75 381B PHE B Protein S 3 FT #SUB 3 503 GLU C 30 339 SER B Protein B 1 FT #SUB 3 503 GLU C 31 340 TRP B Protein B 4 FT #SUB 3 503 GLU C 32 341 ARG B Protein A 16 FT #SUB 3 503 GLU C 34 343 SER B Protein S 3 FT #SUB 4 504 VAL C 29 338 TYR B Protein S 1 FT #SUB 4 504 VAL C 30 339 SER B Protein A 4 FT #SUB 4 504 VAL C 31 340 TRP B Protein S 4 FT #SUB 4 504 VAL C 32 341 ARG B Protein B 2 FT #SUB 5 505 FPR C 30 339 SER B Protein B 2 FT #SUB 5 505 FPR C 32 341 ARG B Protein S 6 CC SEQUENCE 5 AA (ATOM); CC XDEVX CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XDEVX CC ATOM XDEVX CC ***** SQ SEQUENCE 5 AA; MW; CN; XDEVX //