ID 1LLFA STANDARD; PRT; 534 AA. DT CONVERTED FROM PDB (SEQRES) 1LLF DE Lipase 3 OS Candida cylindracea CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.400 CC R-Factor 0.142 FT #SUB 73 73 LEU A 455 1455 TRP B Protein S 1 FT #SUB 73 73 LEU A 459 1459 LEU B Protein S 1 FT #SUB 86 86 VAL A 86 1086 VAL B Protein S 1 FT #SUB 90 90 VAL A 86 1086 VAL B Protein S 1 FT #SUB 350 350 LEU A 443 1443 PRO B Protein S 3 FT #SUB 353 353 THR A 396 1396 PHE B Protein S 3 FT #SUB 396 396 PHE A 353 1353 THR B Protein S 3 FT #SUB 396 396 PHE A 399 1399 ILE B Protein A 3 FT #SUB 396 396 PHE A 401 1401 PRO B Protein S 3 FT #SUB 397 397 ASN A 398 1398 ALA B Protein B 1 FT #SUB 397 397 ASN A 399 1399 ILE B Protein A 5 FT #SUB 398 398 ALA A 397 1397 ASN B Protein B 1 FT #SUB 398 398 ALA A 398 1398 ALA B Protein B 4 FT #SUB 399 399 ILE A 396 1396 PHE B Protein B 3 FT #SUB 399 399 ILE A 397 1397 ASN B Protein B 4 FT #SUB 399 399 ILE A 444 1444 ILE B Protein S 1 FT #SUB 401 401 PRO A 396 1396 PHE B Protein S 3 FT #SUB 443 443 PRO A 350 1350 LEU B Protein S 3 FT #SUB 444 444 ILE A 399 1399 ILE B Protein S 1 FT #SUB 444 444 ILE A 444 1444 ILE B Protein S 1 FT #SUB 455 455 TRP A 73 1073 LEU B Protein S 1 FT #SUB 459 459 LEU A 73 1073 LEU B Protein S 1 FT #HET 69 69 PHE A 4 2 NAG D S 8 FT #HET 70 70 GLU A 3 1 NAG D S 14 FT #HET 70 70 GLU A 4 2 NAG D S 21 FT #HET 122 122 GLY A 9 800 F23 A B 9 FT #HET 123 123 GLY A 9 800 F23 A B 11 FT #HET 124 124 GLY A 9 800 F23 A B 17 FT #HET 125 125 PHE A 9 800 F23 A S 4 FT #HET 183 183 ARG A 1 1 NAG C S 2 FT #HET 187 187 GLN A 1 1 NAG C S 1 FT #HET 208 208 GLU A 9 800 F23 A S 5 FT #HET 209 209 SER A 9 800 F23 A A 16 FT #HET 210 210 ALA A 9 800 F23 A A 6 FT #HET 213 213 MET A 9 800 F23 A S 15 FT #HET 221 221 TRP A 1 1 NAG C S 8 FT #HET 222 222 ASN A 1 1 NAG C S 9 FT #HET 245 245 VAL A 9 800 F23 A S 1 FT #HET 246 246 PRO A 9 800 F23 A A 12 FT #HET 296 296 PHE A 9 800 F23 A S 14 FT #HET 299 299 TYR A 3 1 NAG D S 41 FT #HET 299 299 TYR A 4 2 NAG D S 7 FT #HET 300 300 SER A 4 2 NAG D A 5 FT #HET 300 300 SER A 9 800 F23 A B 1 FT #HET 302 302 LEU A 9 800 F23 A A 37 FT #HET 303 303 ARG A 9 800 F23 A A 11 FT #HET 304 304 LEU A 9 800 F23 A S 10 FT #HET 307 307 LEU A 9 800 F23 A S 4 FT #HET 313 313 LYS A 1 1 NAG C A 8 FT #HET 313 313 LYS A 2 2 NAG C S 1 FT #HET 345 345 PHE A 9 800 F23 A S 13 FT #HET 352 352 VAL A 3 1 NAG D A 4 FT #HET 357 357 GLN A 3 1 NAG D S 14 FT #HET 361 361 TYR A 9 800 F23 A S 6 FT #HET 362 362 PHE A 9 800 F23 A S 8 FT #HET 364 364 GLN A 4 2 NAG D S 6 FT #HET 365 365 SER A 9 800 F23 A A 9 FT #HET 366 366 PHE A 9 800 F23 A S 11 FT #HET 406 406 ILE A 9 800 F23 A S 1 FT #HET 410 410 LEU A 9 800 F23 A S 9 FT #HET 413 413 LEU A 9 800 F23 A S 5 FT #HET 414 414 ALA A 9 800 F23 A A 4 FT #HET 415 415 PHE A 9 800 F23 A S 7 FT #HET 449 449 HIS A 9 800 F23 A S 9 FT #HET 450 450 ALA A 9 800 F23 A S 1 FT #HET 532 532 PHE A 9 800 F23 A B 1 FT #HET 534 534 VAL A 9 800 F23 A S 14 FT #MOD 314 314 ASN A 1 1 NAG C S FT #MOD 351 351 ASN A 3 1 NAG D S CC SEQUENCE 534 AA (ATOM); CC APTAKLANGD TITGLNAIIN EAFLGIPFAE PPVGNLRFKD PVPYSGSLNG QKFTSYGPSC CC MQQNPEGTFE ENLGKTALDL VMQSKVFQAV LPQSEDCLTI NVVRPPGTKA GANLPVMLWI CC FGGGFEIGSP TIFPPAQMVT KSVLMGKPII HVAVNYRVAS WGFLAGDDIK AEGSGNAGLK CC DQRLGMQWVA DNIAGFGGDP SKVTIFGESA GSMSVLCHLI WNDGDNTYKG KPLFRAGIMQ CC SGAMVPSDPV DGTYGNEIYD LFVSSAGCGS ASDKLACLRS ASSDTLLDAT NNTPGFLAYS CC SLRLSYLPRP DGKNITDDMY KLVRDGKYAS VPVIIGDQND EGTIFGLSSL NVTTNAQARA CC YFKQSFIHAS DAEIDTLMAA YPQDITQGSP FDTGIFNAIT PQFKRISAVL GDLAFIHARR CC YFLNHFQGGT KYSFLSKQLS GLPIMGTFHA NDIVWQDYLL GSGSVIYNNA FIAFATDLDP CC NTAGLLVNWP KYTSSSQSGN NLMMINALGL YTGKDNFRTA GYDALMTNPS SFFV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES APTAKLANGDTITGLNAIINEAFLGIPFAEPPVGNLRFKDPVPYSGSLNG CC ATOM APTAKLANGDTITGLNAIINEAFLGIPFAEPPVGNLRFKDPVPYSGSLNG CC ************************************************** CC SEQRES QKFTSYGPSCMQQNPEGTFEENLGKTALDLVMQSKVFQAVLPQSEDCLTI CC ATOM QKFTSYGPSCMQQNPEGTFEENLGKTALDLVMQSKVFQAVLPQSEDCLTI CC ************************************************** CC SEQRES NVVRPPGTKAGANLPVMLWIFGGGFEIGSPTIFPPAQMVTKSVLMGKPII CC ATOM NVVRPPGTKAGANLPVMLWIFGGGFEIGSPTIFPPAQMVTKSVLMGKPII CC ************************************************** CC SEQRES HVAVNYRVASWGFLAGDDIKAEGSGNAGLKDQRLGMQWVADNIAGFGGDP CC ATOM HVAVNYRVASWGFLAGDDIKAEGSGNAGLKDQRLGMQWVADNIAGFGGDP CC ************************************************** CC SEQRES SKVTIFGESAGSMSVLCHLIWNDGDNTYKGKPLFRAGIMQSGAMVPSDPV CC ATOM SKVTIFGESAGSMSVLCHLIWNDGDNTYKGKPLFRAGIMQSGAMVPSDPV CC ************************************************** CC SEQRES DGTYGNEIYDLFVSSAGCGSASDKLACLRSASSDTLLDATNNTPGFLAYS CC ATOM DGTYGNEIYDLFVSSAGCGSASDKLACLRSASSDTLLDATNNTPGFLAYS CC ************************************************** CC SEQRES SLRLSYLPRPDGKNITDDMYKLVRDGKYASVPVIIGDQNDEGTIFGLSSL CC ATOM SLRLSYLPRPDGKNITDDMYKLVRDGKYASVPVIIGDQNDEGTIFGLSSL CC ************************************************** CC SEQRES NVTTNAQARAYFKQSFIHASDAEIDTLMAAYPQDITQGSPFDTGIFNAIT CC ATOM NVTTNAQARAYFKQSFIHASDAEIDTLMAAYPQDITQGSPFDTGIFNAIT CC ************************************************** CC SEQRES PQFKRISAVLGDLAFIHARRYFLNHFQGGTKYSFLSKQLSGLPIMGTFHA CC ATOM PQFKRISAVLGDLAFIHARRYFLNHFQGGTKYSFLSKQLSGLPIMGTFHA CC ************************************************** CC SEQRES NDIVWQDYLLGSGSVIYNNAFIAFATDLDPNTAGLLVNWPKYTSSSQSGN CC ATOM NDIVWQDYLLGSGSVIYNNAFIAFATDLDPNTAGLLVNWPKYTSSSQSGN CC ************************************************** CC SEQRES NLMMINALGLYTGKDNFRTAGYDALMTNPSSFFV CC ATOM NLMMINALGLYTGKDNFRTAGYDALMTNPSSFFV CC ********************************** SQ SEQUENCE 534 AA; MW; CN; APTAKLANGD TITGLNAIIN EAFLGIPFAE PPVGNLRFKD PVPYSGSLNG QKFTSYGPSC MQQNPEGTFE ENLGKTALDL VMQSKVFQAV LPQSEDCLTI NVVRPPGTKA GANLPVMLWI FGGGFEIGSP TIFPPAQMVT KSVLMGKPII HVAVNYRVAS WGFLAGDDIK AEGSGNAGLK DQRLGMQWVA DNIAGFGGDP SKVTIFGESA GSMSVLCHLI WNDGDNTYKG KPLFRAGIMQ SGAMVPSDPV DGTYGNEIYD LFVSSAGCGS ASDKLACLRS ASSDTLLDAT NNTPGFLAYS SLRLSYLPRP DGKNITDDMY KLVRDGKYAS VPVIIGDQND EGTIFGLSSL NVTTNAQARA YFKQSFIHAS DAEIDTLMAA YPQDITQGSP FDTGIFNAIT PQFKRISAVL GDLAFIHARR YFLNHFQGGT KYSFLSKQLS GLPIMGTFHA NDIVWQDYLL GSGSVIYNNA FIAFATDLDP NTAGLLVNWP KYTSSSQSGN NLMMINALGL YTGKDNFRTA GYDALMTNPS SFFV // ID 1LLFB STANDARD; PRT; 534 AA. DT CONVERTED FROM PDB (SEQRES) 1LLF DE Lipase 3 OS Candida cylindracea CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.400 CC R-Factor 0.142 FT #SUB 73 1073 LEU B 455 455 TRP A Protein S 1 FT #SUB 73 1073 LEU B 459 459 LEU A Protein S 1 FT #SUB 86 1086 VAL B 86 86 VAL A Protein S 1 FT #SUB 86 1086 VAL B 90 90 VAL A Protein S 1 FT #SUB 350 1350 LEU B 443 443 PRO A Protein S 3 FT #SUB 353 1353 THR B 396 396 PHE A Protein S 3 FT #SUB 396 1396 PHE B 353 353 THR A Protein S 3 FT #SUB 396 1396 PHE B 399 399 ILE A Protein A 3 FT #SUB 396 1396 PHE B 401 401 PRO A Protein S 3 FT #SUB 397 1397 ASN B 398 398 ALA A Protein B 1 FT #SUB 397 1397 ASN B 399 399 ILE A Protein A 4 FT #SUB 398 1398 ALA B 397 397 ASN A Protein B 1 FT #SUB 398 1398 ALA B 398 398 ALA A Protein A 4 FT #SUB 399 1399 ILE B 396 396 PHE A Protein B 3 FT #SUB 399 1399 ILE B 397 397 ASN A Protein B 5 FT #SUB 399 1399 ILE B 444 444 ILE A Protein S 1 FT #SUB 401 1401 PRO B 396 396 PHE A Protein S 3 FT #SUB 443 1443 PRO B 350 350 LEU A Protein S 3 FT #SUB 444 1444 ILE B 399 399 ILE A Protein S 1 FT #SUB 444 1444 ILE B 444 444 ILE A Protein S 1 FT #SUB 455 1455 TRP B 73 73 LEU A Protein S 1 FT #SUB 459 1459 LEU B 73 73 LEU A Protein S 1 FT #HET 69 1069 PHE B 8 2 NAG F S 9 FT #HET 70 1070 GLU B 7 1 NAG F S 14 FT #HET 70 1070 GLU B 8 2 NAG F S 22 FT #HET 122 1122 GLY B 10 1800 F23 B B 9 FT #HET 123 1123 GLY B 10 1800 F23 B B 10 FT #HET 124 1124 GLY B 10 1800 F23 B B 16 FT #HET 125 1125 PHE B 10 1800 F23 B S 5 FT #HET 180 1180 LYS B 5 1 NAG E S 1 FT #HET 208 1208 GLU B 10 1800 F23 B S 5 FT #HET 209 1209 SER B 10 1800 F23 B A 18 FT #HET 210 1210 ALA B 10 1800 F23 B A 6 FT #HET 213 1213 MET B 10 1800 F23 B S 16 FT #HET 221 1221 TRP B 5 1 NAG E S 8 FT #HET 222 1222 ASN B 5 1 NAG E S 10 FT #HET 245 1245 VAL B 10 1800 F23 B S 1 FT #HET 246 1246 PRO B 10 1800 F23 B A 13 FT #HET 296 1296 PHE B 10 1800 F23 B S 12 FT #HET 299 1299 TYR B 7 1 NAG F S 42 FT #HET 299 1299 TYR B 8 2 NAG F S 7 FT #HET 300 1300 SER B 8 2 NAG F A 5 FT #HET 300 1300 SER B 10 1800 F23 B B 1 FT #HET 302 1302 LEU B 10 1800 F23 B A 37 FT #HET 303 1303 ARG B 10 1800 F23 B A 12 FT #HET 304 1304 LEU B 10 1800 F23 B S 8 FT #HET 307 1307 LEU B 10 1800 F23 B S 4 FT #HET 313 1313 LYS B 5 1 NAG E A 16 FT #HET 313 1313 LYS B 6 2 NAG E S 1 FT #HET 345 1345 PHE B 10 1800 F23 B S 13 FT #HET 352 1352 VAL B 7 1 NAG F A 2 FT #HET 357 1357 GLN B 7 1 NAG F S 14 FT #HET 361 1361 TYR B 10 1800 F23 B S 4 FT #HET 362 1362 PHE B 10 1800 F23 B S 7 FT #HET 364 1364 GLN B 8 2 NAG F S 5 FT #HET 365 1365 SER B 10 1800 F23 B A 9 FT #HET 366 1366 PHE B 10 1800 F23 B S 11 FT #HET 406 1406 ILE B 10 1800 F23 B S 1 FT #HET 409 1409 VAL B 10 1800 F23 B S 1 FT #HET 410 1410 LEU B 10 1800 F23 B S 10 FT #HET 413 1413 LEU B 10 1800 F23 B S 5 FT #HET 414 1414 ALA B 10 1800 F23 B A 4 FT #HET 415 1415 PHE B 10 1800 F23 B S 6 FT #HET 449 1449 HIS B 10 1800 F23 B S 11 FT #HET 450 1450 ALA B 10 1800 F23 B S 1 FT #HET 532 1532 PHE B 10 1800 F23 B B 1 FT #HET 534 1534 VAL B 10 1800 F23 B S 14 FT #MOD 314 1314 ASN B 5 1 NAG E S FT #MOD 351 1351 ASN B 7 1 NAG F S CC SEQUENCE 534 AA (ATOM); CC APTAKLANGD TITGLNAIIN EAFLGIPFAE PPVGNLRFKD PVPYSGSLNG QKFTSYGPSC CC MQQNPEGTFE ENLGKTALDL VMQSKVFQAV LPQSEDCLTI NVVRPPGTKA GANLPVMLWI CC FGGGFEIGSP TIFPPAQMVT KSVLMGKPII HVAVNYRVAS WGFLAGDDIK AEGSGNAGLK CC DQRLGMQWVA DNIAGFGGDP SKVTIFGESA GSMSVLCHLI WNDGDNTYKG KPLFRAGIMQ CC SGAMVPSDPV DGTYGNEIYD LFVSSAGCGS ASDKLACLRS ASSDTLLDAT NNTPGFLAYS CC SLRLSYLPRP DGKNITDDMY KLVRDGKYAS VPVIIGDQND EGTIFGLSSL NVTTNAQARA CC YFKQSFIHAS DAEIDTLMAA YPQDITQGSP FDTGIFNAIT PQFKRISAVL GDLAFIHARR CC YFLNHFQGGT KYSFLSKQLS GLPIMGTFHA NDIVWQDYLL GSGSVIYNNA FIAFATDLDP CC NTAGLLVNWP KYTSSSQSGN NLMMINALGL YTGKDNFRTA GYDALMTNPS SFFV CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES APTAKLANGDTITGLNAIINEAFLGIPFAEPPVGNLRFKDPVPYSGSLNG CC ATOM APTAKLANGDTITGLNAIINEAFLGIPFAEPPVGNLRFKDPVPYSGSLNG CC ************************************************** CC SEQRES QKFTSYGPSCMQQNPEGTFEENLGKTALDLVMQSKVFQAVLPQSEDCLTI CC ATOM QKFTSYGPSCMQQNPEGTFEENLGKTALDLVMQSKVFQAVLPQSEDCLTI CC ************************************************** CC SEQRES NVVRPPGTKAGANLPVMLWIFGGGFEIGSPTIFPPAQMVTKSVLMGKPII CC ATOM NVVRPPGTKAGANLPVMLWIFGGGFEIGSPTIFPPAQMVTKSVLMGKPII CC ************************************************** CC SEQRES HVAVNYRVASWGFLAGDDIKAEGSGNAGLKDQRLGMQWVADNIAGFGGDP CC ATOM HVAVNYRVASWGFLAGDDIKAEGSGNAGLKDQRLGMQWVADNIAGFGGDP CC ************************************************** CC SEQRES SKVTIFGESAGSMSVLCHLIWNDGDNTYKGKPLFRAGIMQSGAMVPSDPV CC ATOM SKVTIFGESAGSMSVLCHLIWNDGDNTYKGKPLFRAGIMQSGAMVPSDPV CC ************************************************** CC SEQRES DGTYGNEIYDLFVSSAGCGSASDKLACLRSASSDTLLDATNNTPGFLAYS CC ATOM DGTYGNEIYDLFVSSAGCGSASDKLACLRSASSDTLLDATNNTPGFLAYS CC ************************************************** CC SEQRES SLRLSYLPRPDGKNITDDMYKLVRDGKYASVPVIIGDQNDEGTIFGLSSL CC ATOM SLRLSYLPRPDGKNITDDMYKLVRDGKYASVPVIIGDQNDEGTIFGLSSL CC ************************************************** CC SEQRES NVTTNAQARAYFKQSFIHASDAEIDTLMAAYPQDITQGSPFDTGIFNAIT CC ATOM NVTTNAQARAYFKQSFIHASDAEIDTLMAAYPQDITQGSPFDTGIFNAIT CC ************************************************** CC SEQRES PQFKRISAVLGDLAFIHARRYFLNHFQGGTKYSFLSKQLSGLPIMGTFHA CC ATOM PQFKRISAVLGDLAFIHARRYFLNHFQGGTKYSFLSKQLSGLPIMGTFHA CC ************************************************** CC SEQRES NDIVWQDYLLGSGSVIYNNAFIAFATDLDPNTAGLLVNWPKYTSSSQSGN CC ATOM NDIVWQDYLLGSGSVIYNNAFIAFATDLDPNTAGLLVNWPKYTSSSQSGN CC ************************************************** CC SEQRES NLMMINALGLYTGKDNFRTAGYDALMTNPSSFFV CC ATOM NLMMINALGLYTGKDNFRTAGYDALMTNPSSFFV CC ********************************** SQ SEQUENCE 534 AA; MW; CN; APTAKLANGD TITGLNAIIN EAFLGIPFAE PPVGNLRFKD PVPYSGSLNG QKFTSYGPSC MQQNPEGTFE ENLGKTALDL VMQSKVFQAV LPQSEDCLTI NVVRPPGTKA GANLPVMLWI FGGGFEIGSP TIFPPAQMVT KSVLMGKPII HVAVNYRVAS WGFLAGDDIK AEGSGNAGLK DQRLGMQWVA DNIAGFGGDP SKVTIFGESA GSMSVLCHLI WNDGDNTYKG KPLFRAGIMQ SGAMVPSDPV DGTYGNEIYD LFVSSAGCGS ASDKLACLRS ASSDTLLDAT NNTPGFLAYS SLRLSYLPRP DGKNITDDMY KLVRDGKYAS VPVIIGDQND EGTIFGLSSL NVTTNAQARA YFKQSFIHAS DAEIDTLMAA YPQDITQGSP FDTGIFNAIT PQFKRISAVL GDLAFIHARR YFLNHFQGGT KYSFLSKQLS GLPIMGTFHA NDIVWQDYLL GSGSVIYNNA FIAFATDLDP NTAGLLVNWP KYTSSSQSGN NLMMINALGL YTGKDNFRTA GYDALMTNPS SFFV //