ID 3IXKA STANDARD; PRT; 405 AA. DT CONVERTED FROM PDB (SEQRES) 3IXK DE Beta-secretase 1 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.232 FT #SUB 18 46 SER A 124 152 GLU B Protein S 2 FT #SUB 19 47 PHE A 124 152 GLU B Protein A 3 FT #SUB 20 48 VAL A 95 123 LYS B Protein B 3 FT #SUB 20 48 VAL A 97 125 GLU B Protein A 7 FT #SUB 20 48 VAL A 124 152 GLU B Protein A 3 FT #SUB 20 48 VAL A 125 153 SER B Protein S 3 FT #SUB 21 49 GLU A 126 154 ASP B Protein A 2 FT #SUB 23 51 VAL A 88 116 TYR B Protein S 5 FT #SUB 23 51 VAL A 95 123 LYS B Protein B 1 FT #SUB 24 52 ASP A 88 116 TYR B Protein S 4 FT #SUB 200 228 ASP A 97 125 GLU B Protein S 9 FT #SUB 202 230 SER A 87 115 VAL B Protein S 4 FT #SUB 202 230 SER A 88 116 TYR B Protein S 3 FT #SUB 202 230 SER A 97 125 GLU B Protein S 4 FT #SUB 207 235 SER A 312 340 THR C Protein S 3 FT #SUB 209 237 TRP A 311 339 VAL C Protein S 2 FT #SUB 209 237 TRP A 312 340 THR C Protein S 4 FT #SUB 310 338 GLU A 311 339 VAL C Protein S 1 FT #SUB 311 339 VAL A 209 237 TRP C Protein S 1 FT #SUB 311 339 VAL A 310 338 GLU C Protein S 2 FT #SUB 311 339 VAL A 314 342 GLN C Protein S 1 FT #SUB 312 340 THR A 207 235 SER C Protein S 4 FT #SUB 312 340 THR A 209 237 TRP C Protein A 6 FT #SUB 312 340 THR A 393 421 PRO C Protein B 1 FT #SUB 313 341 ASN A 393 421 PRO C Protein B 1 FT #SUB 314 342 GLN A 311 339 VAL C Protein S 1 FT #SUB 393 421 PRO A 312 340 THR C Protein S 2 FT #SUB 393 421 PRO A 395 423 VAL C Protein S 2 FT #SUB 395 423 VAL A 393 421 PRO C Protein S 1 FT #HET 31 59 GLY A 1 500 929 A B 5 FT #HET 32 60 GLN A 1 500 929 A B 6 FT #HET 33 61 GLY A 1 500 929 A B 10 FT #HET 50 78 LEU A 1 500 929 A S 2 FT #HET 52 80 ASP A 1 500 929 A S 8 FT #HET 54 82 GLY A 1 500 929 A B 4 FT #HET 55 83 SER A 1 500 929 A A 2 FT #HET 89 117 VAL A 1 500 929 A S 1 FT #HET 90 118 PRO A 1 500 929 A A 8 FT #HET 91 119 TYR A 1 500 929 A A 22 FT #HET 92 120 THR A 1 500 929 A A 11 FT #HET 93 121 GLN A 1 500 929 A A 15 FT #HET 94 122 GLY A 1 500 929 A B 6 FT #HET 127 155 LYS A 1 500 929 A B 1 FT #HET 128 156 PHE A 1 500 929 A A 4 FT #HET 130 158 ILE A 1 500 929 A S 3 FT #HET 138 166 ILE A 1 500 929 A S 2 FT #HET 146 174 ILE A 1 500 929 A S 1 FT #HET 218 246 TYR A 1 500 929 A S 5 FT #HET 248 276 ASP A 1 500 929 A S 7 FT #HET 249 277 SER A 1 500 929 A B 2 FT #HET 250 278 GLY A 1 500 929 A B 16 FT #HET 251 279 THR A 1 500 929 A A 10 FT #HET 252 280 THR A 1 500 929 A A 20 FT #HET 253 281 ASN A 1 500 929 A A 13 FT #HET 255 283 ARG A 1 500 929 A S 5 FT #HET 345 373 SER A 1 500 929 A S 1 FT #HET 355 383 ALA A 1 500 929 A S 1 FT DISORDER 1 17 FT DISORDER 178 188 FT DISORDER 331 334 CC SEQUENCE 373 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 KAASSTEKFP DGFWLGEQLV CWQAGTTPWN IFPVISLYLM GEVTNQSFRI TILPQQYLRP CC VESQDDCYKF AISQSSTGTV MGAVIMEGFY VVFDRARKRI GFAVSACHVH DEFRTAAVEG CC PFVTLDMEDC GYN 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 TTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIF CC ************************************************** CC SEQRES PVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTG CC ATOM PVISLYLMGEVTNQSFRITILPQQYLRPVE----SQDDCYKFAISQSSTG 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 // ID 3IXKB STANDARD; PRT; 405 AA. DT CONVERTED FROM PDB (SEQRES) 3IXK DE Beta-secretase 1 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.232 FT #SUB 87 115 VAL B 202 230 SER A Protein B 4 FT #SUB 88 116 TYR B 23 51 VAL A Protein S 5 FT #SUB 88 116 TYR B 24 52 ASP A Protein S 4 FT #SUB 88 116 TYR B 202 230 SER A Protein A 3 FT #SUB 95 123 LYS B 20 48 VAL A Protein S 3 FT #SUB 95 123 LYS B 23 51 VAL A Protein S 1 FT #SUB 97 125 GLU B 20 48 VAL A Protein A 7 FT #SUB 97 125 GLU B 200 228 ASP A Protein S 9 FT #SUB 97 125 GLU B 202 230 SER A Protein S 4 FT #SUB 124 152 GLU B 18 46 SER A Protein S 2 FT #SUB 124 152 GLU B 19 47 PHE A Protein S 3 FT #SUB 124 152 GLU B 20 48 VAL A Protein A 3 FT #SUB 125 153 SER B 20 48 VAL A Protein B 3 FT #SUB 126 154 ASP B 21 49 GLU A Protein S 2 FT #HET 31 59 GLY B 2 500 929 B B 5 FT #HET 32 60 GLN B 2 500 929 B B 6 FT #HET 33 61 GLY B 2 500 929 B B 9 FT #HET 34 62 TYR B 2 500 929 B S 1 FT #HET 50 78 LEU B 2 500 929 B S 2 FT #HET 52 80 ASP B 2 500 929 B S 10 FT #HET 54 82 GLY B 2 500 929 B B 5 FT #HET 55 83 SER B 2 500 929 B A 2 FT #HET 89 117 VAL B 2 500 929 B S 1 FT #HET 90 118 PRO B 2 500 929 B A 10 FT #HET 91 119 TYR B 2 500 929 B A 17 FT #HET 92 120 THR B 2 500 929 B A 10 FT #HET 93 121 GLN B 2 500 929 B A 20 FT #HET 94 122 GLY B 2 500 929 B B 4 FT #HET 127 155 LYS B 2 500 929 B B 3 FT #HET 128 156 PHE B 2 500 929 B B 3 FT #HET 130 158 ILE B 2 500 929 B S 2 FT #HET 135 163 TRP B 2 500 929 B S 2 FT #HET 138 166 ILE B 2 500 929 B S 2 FT #HET 146 174 ILE B 2 500 929 B A 3 FT #HET 218 246 TYR B 2 500 929 B S 4 FT #HET 248 276 ASP B 2 500 929 B S 5 FT #HET 249 277 SER B 2 500 929 B B 2 FT #HET 250 278 GLY B 2 500 929 B B 16 FT #HET 251 279 THR B 2 500 929 B A 9 FT #HET 252 280 THR B 2 500 929 B A 18 FT #HET 253 281 ASN B 2 500 929 B A 11 FT #HET 255 283 ARG B 2 500 929 B S 6 FT #HET 345 373 SER B 2 500 929 B S 1 FT #HET 355 383 ALA B 2 500 929 B S 2 FT DISORDER 1 17 FT DISORDER 178 188 FT DISORDER 331 334 CC SEQUENCE 373 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 KAASSTEKFP DGFWLGEQLV CWQAGTTPWN IFPVISLYLM GEVTNQSFRI TILPQQYLRP CC VESQDDCYKF AISQSSTGTV MGAVIMEGFY VVFDRARKRI GFAVSACHVH DEFRTAAVEG CC PFVTLDMEDC GYN 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 TTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIF CC ************************************************** CC SEQRES PVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTG CC ATOM PVISLYLMGEVTNQSFRITILPQQYLRPVE----SQDDCYKFAISQSSTG 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 // ID 3IXKC STANDARD; PRT; 405 AA. DT CONVERTED FROM PDB (SEQRES) 3IXK DE Beta-secretase 1 OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.232 FT #SUB 207 235 SER C 312 340 THR A Protein S 4 FT #SUB 209 237 TRP C 311 339 VAL A Protein S 1 FT #SUB 209 237 TRP C 312 340 THR A Protein S 6 FT #SUB 310 338 GLU C 311 339 VAL A Protein S 2 FT #SUB 311 339 VAL C 209 237 TRP A Protein S 2 FT #SUB 311 339 VAL C 310 338 GLU A Protein S 1 FT #SUB 311 339 VAL C 314 342 GLN A Protein S 1 FT #SUB 312 340 THR C 207 235 SER A Protein S 3 FT #SUB 312 340 THR C 209 237 TRP A Protein A 4 FT #SUB 312 340 THR C 393 421 PRO A Protein B 2 FT #SUB 314 342 GLN C 311 339 VAL A Protein S 1 FT #SUB 393 421 PRO C 312 340 THR A Protein S 1 FT #SUB 393 421 PRO C 313 341 ASN A Protein S 1 FT #SUB 393 421 PRO C 395 423 VAL A Protein S 1 FT #SUB 395 423 VAL C 393 421 PRO A Protein S 2 FT #HET 31 59 GLY C 3 500 929 C B 5 FT #HET 32 60 GLN C 3 500 929 C B 4 FT #HET 33 61 GLY C 3 500 929 C B 8 FT #HET 34 62 TYR C 3 500 929 C S 1 FT #HET 50 78 LEU C 3 500 929 C S 1 FT #HET 52 80 ASP C 3 500 929 C S 8 FT #HET 54 82 GLY C 3 500 929 C B 5 FT #HET 55 83 SER C 3 500 929 C A 2 FT #HET 89 117 VAL C 3 500 929 C S 1 FT #HET 90 118 PRO C 3 500 929 C A 12 FT #HET 91 119 TYR C 3 500 929 C A 17 FT #HET 92 120 THR C 3 500 929 C A 8 FT #HET 93 121 GLN C 3 500 929 C A 18 FT #HET 94 122 GLY C 3 500 929 C B 6 FT #HET 127 155 LYS C 3 500 929 C B 4 FT #HET 128 156 PHE C 3 500 929 C A 5 FT #HET 130 158 ILE C 3 500 929 C S 2 FT #HET 138 166 ILE C 3 500 929 C S 3 FT #HET 218 246 TYR C 3 500 929 C S 6 FT #HET 248 276 ASP C 3 500 929 C S 7 FT #HET 249 277 SER C 3 500 929 C B 2 FT #HET 250 278 GLY C 3 500 929 C B 16 FT #HET 251 279 THR C 3 500 929 C A 9 FT #HET 252 280 THR C 3 500 929 C A 17 FT #HET 253 281 ASN C 3 500 929 C A 14 FT #HET 255 283 ARG C 3 500 929 C S 8 FT #HET 345 373 SER C 3 500 929 C S 1 FT #HET 355 383 ALA C 3 500 929 C S 1 FT DISORDER 1 17 FT DISORDER 178 188 FT DISORDER 331 336 CC SEQUENCE 371 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 KAASSTEKFP DGFWLGEQLV CWQAGTTPWN IFPVISLYLM GEVTNQSFRI TILPQQYLRP CC VEDDCYKFAI SQSSTGTVMG AVIMEGFYVV FDRARKRIGF AVSACHVHDE FRTAAVEGPF CC VTLDMEDCGY N 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 TTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIF CC ************************************************** CC SEQRES PVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTG CC ATOM PVISLYLMGEVTNQSFRITILPQQYLRPVE------DDCYKFAISQSSTG 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 //