ID 3KYRA STANDARD; PRT; 405 AA. DT CONVERTED FROM PDB (SEQRES) 3KYR DE Beta-secretase 1 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.600 CC R-Factor 0.210 FT #SUB 18 46P SER A 124 104 GLU B Protein S 2 FT #SUB 19 47P PHE A 124 104 GLU B Protein B 1 FT #SUB 20 48P VAL A 95 75 LYS B Protein A 4 FT #SUB 20 48P VAL A 124 104 GLU B Protein A 2 FT #SUB 20 48P VAL A 125 105 SER B Protein S 4 FT #SUB 21 1 GLU A 95 75 LYS B Protein B 1 FT #SUB 21 1 GLU A 126 106 ASP B Protein S 2 FT #SUB 23 3 VAL A 88 68 TYR B Protein S 8 FT #SUB 23 3 VAL A 95 75 LYS B Protein B 1 FT #SUB 23 3 VAL A 97 77 GLU B Protein S 1 FT #SUB 24 4 ASP A 88 68 TYR B Protein S 1 FT #SUB 200 180 ASP A 97 77 GLU B Protein S 9 FT #SUB 202 182 SER A 86 66 GLY B Protein S 1 FT #SUB 202 182 SER A 87 67 VAL B Protein S 4 FT #SUB 202 182 SER A 88 68 TYR B Protein S 1 FT #SUB 202 182 SER A 97 77 GLU B Protein S 4 FT #SUB 207 187 SER A 312 292 THR C Protein S 3 FT #SUB 209 189 TRP A 311 291 VAL C Protein S 1 FT #SUB 209 189 TRP A 312 292 THR C Protein S 4 FT #SUB 310 290 GLU A 311 291 VAL C Protein S 3 FT #SUB 311 291 VAL A 209 189 TRP C Protein S 1 FT #SUB 311 291 VAL A 310 290 GLU C Protein S 2 FT #SUB 311 291 VAL A 314 294 GLN C Protein S 3 FT #SUB 312 292 THR A 207 187 SER C Protein S 3 FT #SUB 312 292 THR A 209 189 TRP C Protein A 3 FT #SUB 312 292 THR A 393 373 PRO C Protein B 1 FT #SUB 313 293 ASN A 393 373 PRO C Protein B 1 FT #SUB 314 294 GLN A 311 291 VAL C Protein S 4 FT #SUB 393 373 PRO A 312 292 THR C Protein S 1 FT #SUB 393 373 PRO A 395 375 VAL C Protein S 1 FT #SUB 395 375 VAL A 393 373 PRO C Protein S 1 FT #HET 24 4 ASP A 2 500 038 B S 7 FT #HET 54 34 GLY A 1 500 038 A B 12 FT #HET 55 35 SER A 1 500 038 A A 3 FT #HET 88 68 TYR A 1 500 038 A S 5 FT #HET 89 69 VAL A 1 500 038 A S 1 FT #HET 90 70 PRO A 1 500 038 A A 13 FT #HET 91 71 TYR A 1 500 038 A A 6 FT #HET 92 72 THR A 1 500 038 A A 7 FT #HET 95 75 LYS A 1 500 038 A S 4 FT #HET 146 126 ILE A 1 500 038 A A 2 FT #HET 148 128 ARG A 1 500 038 A S 6 FT #HET 176 156 GLY A 2 500 038 B B 1 FT #HET 218 198 TYR A 1 500 038 A S 9 FT #HET 244 224 LYS A 1 500 038 A S 5 FT #HET 246 226 ILE A 1 500 038 A S 2 FT #HET 248 228 ASP A 1 500 038 A S 6 FT #HET 255 235 ARG A 1 500 038 A S 4 FT #HET 349 329 THR A 1 500 038 A S 6 FT #HET 379 359 CYS A 2 500 038 B S 1 FT DISORDER 1 17 FT DISORDER 178 188 FT DISORDER 276 279 FT DISORDER 330 336 FT DISORDER 405 405 CC SEQUENCE 365 AA (ATOM); CC SFVEMVDNLR GKSGQGYYVE MTVGSPPQTL NILVDTGSSN FAVGAAPHPF LHRYYQRQLS CC STYRDLRKGV YVPYTQGKWE GELGTDLVSI PHGPNVTVRA NIAAITESDK FFINGSNWEG CC ILGLAYAEIA RPDDSLEPFF DSLVKQTHVP NLFSLQLCGA SVGGSMIIGG IDHSLYTGSL CC WYTPIRREWY YEVIIVRVEI NGQDLKMDCK EYNYDKSIVD SGTTNLRLPK KVFEAAVKSI CC KAASSTEGFW LGEQLVCWQA GTTPWNIFPV ISLYLMGEVT NQSFRITILP QQYLRPVDDC CC YKFAISQSST GTVMGAVIME GFYVVFDRAR KRIGFAVSAC HVHDEFRTAA VEGPFVTLDM CC EDCGY CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES RLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNIL CC ATOM -----------------SFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNIL CC ********************************* CC SEQRES VDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGEL CC ATOM VDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGEL CC ************************************************** CC SEQRES GTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPD CC ATOM GTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPD CC ************************************************** CC SEQRES DSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGID CC ATOM DSLEPFFDSLVKQTHVPNLFSLQLCGA-----------SVGGSMIIGGID CC *************************** ************ CC SEQRES HSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSG CC ATOM HSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSG CC ************************************************** CC SEQRES TTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIF CC ATOM TTNLRLPKKVFEAAVKSIKAASSTE----GFWLGEQLVCWQAGTTPWNIF CC ************************* ********************* CC SEQRES PVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTG CC ATOM PVISLYLMGEVTNQSFRITILPQQYLRPV-------DDCYKFAISQSSTG CC ***************************** ************** CC SEQRES TVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDME CC ATOM TVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDME CC ************************************************** CC SEQRES DCGYN CC ATOM DCGY- CC **** SQ SEQUENCE 405 AA; MW; CN; RLPRETDEEP EEPGRRGSFV EMVDNLRGKS GQGYYVEMTV GSPPQTLNIL VDTGSSNFAV GAAPHPFLHR YYQRQLSSTY RDLRKGVYVP YTQGKWEGEL GTDLVSIPHG PNVTVRANIA AITESDKFFI NGSNWEGILG LAYAEIARPD DSLEPFFDSL VKQTHVPNLF SLQLCGAGFP LNQSEVLASV GGSMIIGGID HSLYTGSLWY TPIRREWYYE VIIVRVEING QDLKMDCKEY NYDKSIVDSG TTNLRLPKKV FEAAVKSIKA ASSTEKFPDG FWLGEQLVCW QAGTTPWNIF PVISLYLMGE VTNQSFRITI LPQQYLRPVE DVATSQDDCY KFAISQSSTG TVMGAVIMEG FYVVFDRARK RIGFAVSACH VHDEFRTAAV EGPFVTLDME DCGYN // ID 3KYRB STANDARD; PRT; 405 AA. DT CONVERTED FROM PDB (SEQRES) 3KYR DE Beta-secretase 1 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.600 CC R-Factor 0.210 FT #SUB 86 66 GLY B 202 182 SER A Protein B 1 FT #SUB 87 67 VAL B 202 182 SER A Protein B 4 FT #SUB 88 68 TYR B 23 3 VAL A Protein S 8 FT #SUB 88 68 TYR B 24 4 ASP A Protein S 1 FT #SUB 88 68 TYR B 202 182 SER A Protein B 1 FT #SUB 95 75 LYS B 20 48P VAL A Protein S 4 FT #SUB 95 75 LYS B 21 1 GLU A Protein S 1 FT #SUB 95 75 LYS B 23 3 VAL A Protein S 1 FT #SUB 97 77 GLU B 23 3 VAL A Protein S 1 FT #SUB 97 77 GLU B 200 180 ASP A Protein S 9 FT #SUB 97 77 GLU B 202 182 SER A Protein S 4 FT #SUB 124 104 GLU B 18 46P SER A Protein S 2 FT #SUB 124 104 GLU B 19 47P PHE A Protein S 1 FT #SUB 124 104 GLU B 20 48P VAL A Protein S 2 FT #SUB 125 105 SER B 20 48P VAL A Protein B 4 FT #SUB 126 106 ASP B 21 1 GLU A Protein S 2 FT #HET 54 34 GLY B 2 500 038 B B 11 FT #HET 55 35 SER B 2 500 038 B S 1 FT #HET 88 68 TYR B 2 500 038 B S 5 FT #HET 89 69 VAL B 2 500 038 B S 1 FT #HET 90 70 PRO B 2 500 038 B A 11 FT #HET 91 71 TYR B 2 500 038 B A 7 FT #HET 92 72 THR B 2 500 038 B A 6 FT #HET 146 126 ILE B 2 500 038 B S 1 FT #HET 148 128 ARG B 2 500 038 B S 6 FT #HET 218 198 TYR B 2 500 038 B S 10 FT #HET 244 224 LYS B 2 500 038 B S 1 FT #HET 246 226 ILE B 2 500 038 B S 2 FT #HET 248 228 ASP B 2 500 038 B S 9 FT #HET 251 231 THR B 2 500 038 B S 1 FT #HET 255 235 ARG B 2 500 038 B S 5 FT #HET 349 329 THR B 2 500 038 B S 3 FT DISORDER 1 17 FT DISORDER 178 188 FT DISORDER 276 278 FT DISORDER 329 336 FT DISORDER 403 405 CC SEQUENCE 363 AA (ATOM); CC SFVEMVDNLR GKSGQGYYVE MTVGSPPQTL NILVDTGSSN FAVGAAPHPF LHRYYQRQLS CC STYRDLRKGV YVPYTQGKWE GELGTDLVSI PHGPNVTVRA NIAAITESDK FFINGSNWEG CC ILGLAYAEIA RPDDSLEPFF DSLVKQTHVP NLFSLQLCGA SVGGSMIIGG IDHSLYTGSL CC WYTPIRREWY YEVIIVRVEI NGQDLKMDCK EYNYDKSIVD SGTTNLRLPK KVFEAAVKSI CC KAASSTEDGF WLGEQLVCWQ AGTTPWNIFP VISLYLMGEV TNQSFRITIL PQQYLRPDDC CC YKFAISQSST GTVMGAVIME GFYVVFDRAR KRIGFAVSAC HVHDEFRTAA VEGPFVTLDM CC EDC CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES RLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNIL CC ATOM -----------------SFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNIL CC ********************************* CC SEQRES VDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGEL CC ATOM VDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGEL CC ************************************************** CC SEQRES GTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPD CC ATOM GTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPD CC ************************************************** CC SEQRES DSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGID CC ATOM DSLEPFFDSLVKQTHVPNLFSLQLCGA-----------SVGGSMIIGGID CC *************************** ************ CC SEQRES HSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSG CC ATOM HSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSG CC ************************************************** CC SEQRES TTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIF CC ATOM TTNLRLPKKVFEAAVKSIKAASSTE---DGFWLGEQLVCWQAGTTPWNIF CC ************************* ********************** CC SEQRES PVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTG CC ATOM PVISLYLMGEVTNQSFRITILPQQYLRP--------DDCYKFAISQSSTG CC **************************** ************** CC SEQRES TVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDME CC ATOM TVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDME CC ************************************************** CC SEQRES DCGYN CC ATOM DC--- CC ** SQ SEQUENCE 405 AA; MW; CN; RLPRETDEEP EEPGRRGSFV EMVDNLRGKS GQGYYVEMTV GSPPQTLNIL VDTGSSNFAV GAAPHPFLHR YYQRQLSSTY RDLRKGVYVP YTQGKWEGEL GTDLVSIPHG PNVTVRANIA AITESDKFFI NGSNWEGILG LAYAEIARPD DSLEPFFDSL VKQTHVPNLF SLQLCGAGFP LNQSEVLASV GGSMIIGGID HSLYTGSLWY TPIRREWYYE VIIVRVEING QDLKMDCKEY NYDKSIVDSG TTNLRLPKKV FEAAVKSIKA ASSTEKFPDG FWLGEQLVCW QAGTTPWNIF PVISLYLMGE VTNQSFRITI LPQQYLRPVE DVATSQDDCY KFAISQSSTG TVMGAVIMEG FYVVFDRARK RIGFAVSACH VHDEFRTAAV EGPFVTLDME DCGYN // ID 3KYRC STANDARD; PRT; 405 AA. DT CONVERTED FROM PDB (SEQRES) 3KYR DE Beta-secretase 1 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.600 CC R-Factor 0.210 FT #SUB 207 187 SER C 312 292 THR A Protein S 3 FT #SUB 209 189 TRP C 311 291 VAL A Protein S 1 FT #SUB 209 189 TRP C 312 292 THR A Protein S 3 FT #SUB 310 290 GLU C 311 291 VAL A Protein S 2 FT #SUB 311 291 VAL C 209 189 TRP A Protein S 1 FT #SUB 311 291 VAL C 310 290 GLU A Protein S 3 FT #SUB 311 291 VAL C 314 294 GLN A Protein S 4 FT #SUB 312 292 THR C 207 187 SER A Protein S 3 FT #SUB 312 292 THR C 209 189 TRP A Protein A 4 FT #SUB 312 292 THR C 393 373 PRO A Protein B 1 FT #SUB 314 294 GLN C 311 291 VAL A Protein S 3 FT #SUB 393 373 PRO C 312 292 THR A Protein S 1 FT #SUB 393 373 PRO C 313 293 ASN A Protein S 1 FT #SUB 393 373 PRO C 395 375 VAL A Protein S 1 FT #SUB 395 375 VAL C 393 373 PRO A Protein S 1 FT #HET 54 34 GLY C 3 500 038 C B 9 FT #HET 55 35 SER C 3 500 038 C S 1 FT #HET 88 68 TYR C 3 500 038 C S 4 FT #HET 89 69 VAL C 3 500 038 C S 1 FT #HET 90 70 PRO C 3 500 038 C A 14 FT #HET 91 71 TYR C 3 500 038 C A 6 FT #HET 92 72 THR C 3 500 038 C A 11 FT #HET 146 126 ILE C 3 500 038 C S 1 FT #HET 148 128 ARG C 3 500 038 C S 8 FT #HET 218 198 TYR C 3 500 038 C S 6 FT #HET 244 224 LYS C 3 500 038 C S 3 FT #HET 246 226 ILE C 3 500 038 C S 2 FT #HET 248 228 ASP C 3 500 038 C S 10 FT #HET 251 231 THR C 3 500 038 C S 1 FT #HET 255 235 ARG C 3 500 038 C S 6 FT #HET 349 329 THR C 3 500 038 C S 1 FT DISORDER 1 17 FT DISORDER 178 188 FT DISORDER 272 280 FT DISORDER 330 337 CC SEQUENCE 360 AA (ATOM); CC SFVEMVDNLR GKSGQGYYVE MTVGSPPQTL NILVDTGSSN FAVGAAPHPF LHRYYQRQLS CC STYRDLRKGV YVPYTQGKWE GELGTDLVSI PHGPNVTVRA NIAAITESDK FFINGSNWEG CC ILGLAYAEIA RPDDSLEPFF DSLVKQTHVP NLFSLQLCGA SVGGSMIIGG IDHSLYTGSL CC WYTPIRREWY YEVIIVRVEI NGQDLKMDCK EYNYDKSIVD SGTTNLRLPK KVFEAAVKSI CC KAAFWLGEQL VCWQAGTTPW NIFPVISLYL MGEVTNQSFR ITILPQQYLR PVDCYKFAIS CC QSSTGTVMGA VIMEGFYVVF DRARKRIGFA VSACHVHDEF RTAAVEGPFV TLDMEDCGYN CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES RLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNIL CC ATOM -----------------SFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNIL CC ********************************* CC SEQRES VDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGEL CC ATOM VDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGEL CC ************************************************** CC SEQRES GTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPD CC ATOM GTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPD CC ************************************************** CC SEQRES DSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGID CC ATOM DSLEPFFDSLVKQTHVPNLFSLQLCGA-----------SVGGSMIIGGID CC *************************** ************ CC SEQRES HSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSG CC ATOM HSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSG CC ************************************************** CC SEQRES TTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIF CC ATOM TTNLRLPKKVFEAAVKSIKAA---------FWLGEQLVCWQAGTTPWNIF CC ********************* ******************** CC SEQRES PVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTG CC ATOM PVISLYLMGEVTNQSFRITILPQQYLRPV--------DCYKFAISQSSTG CC ***************************** ************* CC SEQRES TVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDME CC ATOM TVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDME CC ************************************************** CC SEQRES DCGYN CC ATOM DCGYN CC ***** SQ SEQUENCE 405 AA; MW; CN; RLPRETDEEP EEPGRRGSFV EMVDNLRGKS GQGYYVEMTV GSPPQTLNIL VDTGSSNFAV GAAPHPFLHR YYQRQLSSTY RDLRKGVYVP YTQGKWEGEL GTDLVSIPHG PNVTVRANIA AITESDKFFI NGSNWEGILG LAYAEIARPD DSLEPFFDSL VKQTHVPNLF SLQLCGAGFP LNQSEVLASV GGSMIIGGID HSLYTGSLWY TPIRREWYYE VIIVRVEING QDLKMDCKEY NYDKSIVDSG TTNLRLPKKV FEAAVKSIKA ASSTEKFPDG FWLGEQLVCW QAGTTPWNIF PVISLYLMGE VTNQSFRITI LPQQYLRPVE DVATSQDDCY KFAISQSSTG TVMGAVIMEG FYVVFDRARK RIGFAVSACH VHDEFRTAAV EGPFVTLDME DCGYN //