ID 5NX7A STANDARD; PRT; 330 AA. DT CONVERTED FROM PDB (SEQRES) 5NX7 DE Pentalenene synthase OS Streptomyces clavuligerus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.510 CC R-Factor 0.151 FT #SUB 7 7 GLU A 285 285 LEU B Protein S 1 FT #SUB 8 8 PHE A 285 285 LEU B Protein B 1 FT #SUB 9 9 ASP A 275 275 PRO B Protein S 1 FT #SUB 9 9 ASP A 285 285 LEU B Protein S 1 FT #SUB 9 9 ASP A 288 288 ARG B Protein S 6 FT #SUB 9 9 ASP A 292 292 TYR B Protein S 5 FT #SUB 10 10 ILE A 292 292 TYR B Protein B 1 FT #SUB 11 11 PRO A 275 275 PRO B Protein S 1 FT #SUB 11 11 PRO A 292 292 TYR B Protein A 13 FT #SUB 13 13 PRO A 293 293 THR B Protein A 3 FT #SUB 13 13 PRO A 296 296 GLU B Protein S 2 FT #SUB 15 15 ARG A 15 15 ARG B Protein S 1 FT #SUB 15 15 ARG A 60 60 TYR B Protein S 3 FT #SUB 15 15 ARG A 61 61 LEU B Protein S 3 FT #SUB 15 15 ARG A 296 296 GLU B Protein S 3 FT #SUB 18 18 PRO A 19 19 PHE B Protein S 2 FT #SUB 18 18 PRO A 61 61 LEU B Protein S 2 FT #SUB 18 18 PRO A 63 63 GLN B Protein S 1 FT #SUB 19 19 PHE A 18 18 PRO B Protein S 2 FT #SUB 19 19 PHE A 19 19 PHE B Protein S 4 FT #SUB 60 60 TYR A 15 15 ARG B Protein S 3 FT #SUB 60 60 TYR A 60 60 TYR B Protein S 2 FT #SUB 60 60 TYR A 61 61 LEU B Protein B 1 FT #SUB 61 61 LEU A 15 15 ARG B Protein S 3 FT #SUB 61 61 LEU A 18 18 PRO B Protein S 2 FT #SUB 61 61 LEU A 60 60 TYR B Protein S 1 FT #SUB 63 63 GLN A 18 18 PRO B Protein S 1 FT #SUB 268 268 ILE A 272 272 PRO B Protein A 3 FT #SUB 268 268 ILE A 275 275 PRO B Protein S 1 FT #SUB 272 272 PRO A 268 268 ILE B Protein A 3 FT #SUB 272 272 PRO A 272 272 PRO B Protein S 1 FT #SUB 275 275 PRO A 9 9 ASP B Protein S 1 FT #SUB 275 275 PRO A 11 11 PRO B Protein S 1 FT #SUB 285 285 LEU A 7 7 GLU B Protein S 1 FT #SUB 285 285 LEU A 8 8 PHE B Protein S 1 FT #SUB 285 285 LEU A 9 9 ASP B Protein S 2 FT #SUB 288 288 ARG A 9 9 ASP B Protein S 6 FT #SUB 289 289 THR A 303 303 ARG B Protein S 1 FT #SUB 292 292 TYR A 9 9 ASP B Protein S 5 FT #SUB 292 292 TYR A 10 10 ILE B Protein S 1 FT #SUB 292 292 TYR A 11 11 PRO B Protein S 13 FT #SUB 293 293 THR A 13 13 PRO B Protein A 3 FT #SUB 296 296 GLU A 13 13 PRO B Protein S 2 FT #SUB 296 296 GLU A 15 15 ARG B Protein S 3 FT #SUB 299 299 ARG A 299 299 ARG B Protein S 11 FT #SUB 303 303 ARG A 289 289 THR B Protein S 1 FT #HET 6 6 GLU A 6 405 9D2 A S 10 FT #HET 18 18 PRO A 14 406 NDS B B 1 FT #HET 19 19 PHE A 7 406 NDS A S 11 FT #HET 19 19 PHE A 14 406 NDS B S 1 FT #HET 22 22 ARG A 7 406 NDS A S 7 FT #HET 22 22 ARG A 14 406 NDS B S 1 FT #HET 26 26 ARG A 7 406 NDS A S 7 FT #HET 63 63 GLN A 7 406 NDS A A 6 FT #HET 64 64 GLY A 7 406 NDS A B 4 FT #HET 74 74 PHE A 2 401 LA6 A S 1 FT #HET 77 77 PHE A 1 400 0FV A S 7 FT #HET 77 77 PHE A 2 401 LA6 A S 6 FT #HET 78 78 PHE A 2 401 LA6 A S 2 FT #HET 81 81 ASP A 1 400 0FV A S 4 FT #HET 81 81 ASP A 2 401 LA6 A S 4 FT #HET 81 81 ASP A 4 403 MG A S 3 FT #HET 81 81 ASP A 5 404 MG A S 3 FT #HET 174 174 ARG A 1 400 0FV A S 10 FT #HET 174 174 ARG A 2 401 LA6 A S 10 FT #HET 179 179 PHE A 1 400 0FV A S 2 FT #HET 179 179 PHE A 2 401 LA6 A A 3 FT #HET 180 180 MET A 1 400 0FV A S 1 FT #HET 180 180 MET A 2 401 LA6 A A 3 FT #HET 183 183 LEU A 1 400 0FV A S 2 FT #HET 216 216 ILE A 1 400 0FV A A 3 FT #HET 216 216 ILE A 2 401 LA6 A S 2 FT #HET 217 217 ASN A 1 400 0FV A B 1 FT #HET 217 217 ASN A 2 401 LA6 A S 1 FT #HET 220 220 ASN A 1 400 0FV A S 14 FT #HET 220 220 ASN A 2 401 LA6 A S 8 FT #HET 220 220 ASN A 3 402 MG A S 3 FT #HET 224 224 SER A 1 400 0FV A S 2 FT #HET 224 224 SER A 2 401 LA6 A S 2 FT #HET 224 224 SER A 3 402 MG A S 2 FT #HET 227 227 LYS A 1 400 0FV A S 3 FT #HET 227 227 LYS A 2 401 LA6 A S 3 FT #HET 228 228 GLU A 1 400 0FV A S 5 FT #HET 228 228 GLU A 2 401 LA6 A S 4 FT #HET 228 228 GLU A 3 402 MG A S 3 FT #HET 250 250 GLN A 6 405 9D2 A A 7 FT #HET 253 253 LEU A 6 405 9D2 A A 2 FT #HET 254 254 ALA A 6 405 9D2 A A 2 FT #HET 257 257 ARG A 6 405 9D2 A S 4 FT #HET 305 305 ASN A 1 400 0FV A S 2 FT #HET 305 305 ASN A 2 401 LA6 A S 2 FT #HET 308 308 TRP A 1 400 0FV A S 2 FT #HET 309 309 CYS A 2 401 LA6 A S 1 FT #HET 314 314 ARG A 1 400 0FV A S 6 FT #HET 314 314 ARG A 2 401 LA6 A S 6 FT #HET 315 315 TYR A 1 400 0FV A S 8 FT #HET 315 315 TYR A 2 401 LA6 A S 9 FT DISORDER 1 3 FT DISORDER 87 94 FT DISORDER 162 163 FT DISORDER 316 316 FT DISORDER 320 327 CC Miss-SC 3 CC SEQUENCE 308 AA (ATOM); CC GHEEFDIPFP SRVNPFHARA EDRHVAWMRA MGLITGDAAE ATYRRWSPAK VGARWFYLAQ CC GEDLDLGCDI FGWFFAYDDH FDGTAAFVNR TVAMLDPRAD PTGEHPLNIA FHDLWQRESA CC PMSPLWQRRA VDHWTQYLTA HITEATNRTR SPTIADYLEL RHRTGFMPPL LDLIERVWRA CC EIPAPVYTTP EVQTLLHTTN QNINIVNDVL SLEKEEAHGD PHNLVLVIQH ERQSTRQQAL CC ATARRMIDEW TDTFIRTEPR LPALCGRLGI PLADRTSLYT AVEGMRAAIR GNYDWCAETN CC RYVHRTPW CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MPAGHEEFDIPFPSRVNPFHARAEDRHVAWMRAMGLITGDAAEATYRRWS CC ATOM ---GHEEFDIPFPSRVNPFHARAEDRHVAWMRAMGLITGDAAEATYRRWS CC *********************************************** CC SEQRES PAKVGARWFYLAQGEDLDLGCDIFGWFFAYDDHFDGPTGTDPRQTAAFVN CC ATOM PAKVGARWFYLAQGEDLDLGCDIFGWFFAYDDHFDG--------TAAFVN CC ************************************ ****** CC SEQRES RTVAMLDPRADPTGEHPLNIAFHDLWQRESAPMSPLWQRRAVDHWTQYLT CC ATOM RTVAMLDPRADPTGEHPLNIAFHDLWQRESAPMSPLWQRRAVDHWTQYLT CC ************************************************** CC SEQRES AHITEATNRTRHTSPTIADYLELRHRTGFMPPLLDLIERVWRAEIPAPVY CC ATOM AHITEATNRTR--SPTIADYLELRHRTGFMPPLLDLIERVWRAEIPAPVY CC *********** ************************************* CC SEQRES TTPEVQTLLHTTNQNINIVNDVLSLEKEEAHGDPHNLVLVIQHERQSTRQ CC ATOM TTPEVQTLLHTTNQNINIVNDVLSLEKEEAHGDPHNLVLVIQHERQSTRQ CC ************************************************** CC SEQRES QALATARRMIDEWTDTFIRTEPRLPALCGRLGIPLADRTSLYTAVEGMRA CC ATOM QALATARRMIDEWTDTFIRTEPRLPALCGRLGIPLADRTSLYTAVEGMRA CC ************************************************** CC SEQRES AIRGNYDWCAETNRYAVHRPTGTGRATTPW CC ATOM AIRGNYDWCAETNRY-VHR--------TPW CC *************** *** *** SQ SEQUENCE 330 AA; MW; CN; MPAGHEEFDI PFPSRVNPFH ARAEDRHVAW MRAMGLITGD AAEATYRRWS PAKVGARWFY LAQGEDLDLG CDIFGWFFAY DDHFDGPTGT DPRQTAAFVN RTVAMLDPRA DPTGEHPLNI AFHDLWQRES APMSPLWQRR AVDHWTQYLT AHITEATNRT RHTSPTIADY LELRHRTGFM PPLLDLIERV WRAEIPAPVY TTPEVQTLLH TTNQNINIVN DVLSLEKEEA HGDPHNLVLV IQHERQSTRQ QALATARRMI DEWTDTFIRT EPRLPALCGR LGIPLADRTS LYTAVEGMRA AIRGNYDWCA ETNRYAVHRP TGTGRATTPW // ID 5NX7B STANDARD; PRT; 330 AA. DT CONVERTED FROM PDB (SEQRES) 5NX7 DE Pentalenene synthase OS Streptomyces clavuligerus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.510 CC R-Factor 0.151 FT #SUB 7 7 GLU B 285 285 LEU A Protein S 1 FT #SUB 8 8 PHE B 285 285 LEU A Protein B 1 FT #SUB 9 9 ASP B 275 275 PRO A Protein S 1 FT #SUB 9 9 ASP B 285 285 LEU A Protein S 2 FT #SUB 9 9 ASP B 288 288 ARG A Protein S 6 FT #SUB 9 9 ASP B 292 292 TYR A Protein S 5 FT #SUB 10 10 ILE B 292 292 TYR A Protein B 1 FT #SUB 11 11 PRO B 275 275 PRO A Protein S 1 FT #SUB 11 11 PRO B 292 292 TYR A Protein A 13 FT #SUB 13 13 PRO B 293 293 THR A Protein A 3 FT #SUB 13 13 PRO B 296 296 GLU A Protein S 2 FT #SUB 15 15 ARG B 15 15 ARG A Protein S 1 FT #SUB 15 15 ARG B 60 60 TYR A Protein S 3 FT #SUB 15 15 ARG B 61 61 LEU A Protein S 3 FT #SUB 15 15 ARG B 296 296 GLU A Protein S 3 FT #SUB 18 18 PRO B 19 19 PHE A Protein S 2 FT #SUB 18 18 PRO B 61 61 LEU A Protein S 2 FT #SUB 18 18 PRO B 63 63 GLN A Protein S 1 FT #SUB 19 19 PHE B 18 18 PRO A Protein S 2 FT #SUB 19 19 PHE B 19 19 PHE A Protein S 4 FT #SUB 60 60 TYR B 15 15 ARG A Protein S 3 FT #SUB 60 60 TYR B 60 60 TYR A Protein S 2 FT #SUB 60 60 TYR B 61 61 LEU A Protein B 1 FT #SUB 61 61 LEU B 15 15 ARG A Protein S 3 FT #SUB 61 61 LEU B 18 18 PRO A Protein S 2 FT #SUB 61 61 LEU B 60 60 TYR A Protein S 1 FT #SUB 63 63 GLN B 18 18 PRO A Protein S 1 FT #SUB 268 268 ILE B 272 272 PRO A Protein A 3 FT #SUB 272 272 PRO B 268 268 ILE A Protein A 3 FT #SUB 272 272 PRO B 272 272 PRO A Protein S 1 FT #SUB 275 275 PRO B 9 9 ASP A Protein S 1 FT #SUB 275 275 PRO B 11 11 PRO A Protein S 1 FT #SUB 275 275 PRO B 268 268 ILE A Protein S 1 FT #SUB 285 285 LEU B 7 7 GLU A Protein S 1 FT #SUB 285 285 LEU B 8 8 PHE A Protein S 1 FT #SUB 285 285 LEU B 9 9 ASP A Protein S 1 FT #SUB 288 288 ARG B 9 9 ASP A Protein S 6 FT #SUB 289 289 THR B 303 303 ARG A Protein S 1 FT #SUB 292 292 TYR B 9 9 ASP A Protein S 5 FT #SUB 292 292 TYR B 10 10 ILE A Protein S 1 FT #SUB 292 292 TYR B 11 11 PRO A Protein S 13 FT #SUB 293 293 THR B 13 13 PRO A Protein A 3 FT #SUB 296 296 GLU B 13 13 PRO A Protein S 2 FT #SUB 296 296 GLU B 15 15 ARG A Protein S 3 FT #SUB 299 299 ARG B 299 299 ARG A Protein S 11 FT #SUB 303 303 ARG B 289 289 THR A Protein S 1 FT #HET 6 6 GLU B 13 405 9D2 B S 11 FT #HET 18 18 PRO B 7 406 NDS A B 1 FT #HET 19 19 PHE B 7 406 NDS A S 1 FT #HET 19 19 PHE B 14 406 NDS B S 10 FT #HET 22 22 ARG B 7 406 NDS A S 1 FT #HET 22 22 ARG B 14 406 NDS B S 5 FT #HET 26 26 ARG B 14 406 NDS B S 7 FT #HET 63 63 GLN B 14 406 NDS B A 8 FT #HET 64 64 GLY B 14 406 NDS B B 5 FT #HET 74 74 PHE B 8 400 0FV B S 1 FT #HET 74 74 PHE B 9 401 LA6 B S 1 FT #HET 77 77 PHE B 8 400 0FV B S 8 FT #HET 77 77 PHE B 9 401 LA6 B S 6 FT #HET 78 78 PHE B 8 400 0FV B S 1 FT #HET 78 78 PHE B 9 401 LA6 B S 1 FT #HET 81 81 ASP B 8 400 0FV B S 4 FT #HET 81 81 ASP B 9 401 LA6 B S 4 FT #HET 81 81 ASP B 11 403 MG B S 3 FT #HET 81 81 ASP B 12 404 MG B S 3 FT #HET 174 174 ARG B 8 400 0FV B S 7 FT #HET 174 174 ARG B 9 401 LA6 B S 12 FT #HET 179 179 PHE B 8 400 0FV B S 1 FT #HET 179 179 PHE B 9 401 LA6 B S 1 FT #HET 180 180 MET B 8 400 0FV B S 1 FT #HET 180 180 MET B 9 401 LA6 B S 2 FT #HET 183 183 LEU B 8 400 0FV B S 3 FT #HET 216 216 ILE B 8 400 0FV B A 3 FT #HET 216 216 ILE B 9 401 LA6 B S 2 FT #HET 217 217 ASN B 8 400 0FV B B 1 FT #HET 217 217 ASN B 9 401 LA6 B S 1 FT #HET 220 220 ASN B 8 400 0FV B S 14 FT #HET 220 220 ASN B 9 401 LA6 B S 10 FT #HET 220 220 ASN B 10 402 MG B S 3 FT #HET 224 224 SER B 8 400 0FV B S 2 FT #HET 224 224 SER B 9 401 LA6 B S 2 FT #HET 224 224 SER B 10 402 MG B S 2 FT #HET 227 227 LYS B 8 400 0FV B S 3 FT #HET 227 227 LYS B 9 401 LA6 B S 4 FT #HET 227 227 LYS B 11 403 MG B S 1 FT #HET 228 228 GLU B 8 400 0FV B S 3 FT #HET 228 228 GLU B 9 401 LA6 B S 4 FT #HET 228 228 GLU B 10 402 MG B S 3 FT #HET 250 250 GLN B 13 405 9D2 B A 7 FT #HET 253 253 LEU B 13 405 9D2 B A 2 FT #HET 254 254 ALA B 13 405 9D2 B A 2 FT #HET 257 257 ARG B 13 405 9D2 B S 4 FT #HET 305 305 ASN B 8 400 0FV B S 1 FT #HET 305 305 ASN B 9 401 LA6 B S 2 FT #HET 308 308 TRP B 9 401 LA6 B S 2 FT #HET 309 309 CYS B 9 401 LA6 B S 1 FT #HET 314 314 ARG B 8 400 0FV B S 9 FT #HET 314 314 ARG B 9 401 LA6 B S 6 FT #HET 315 315 TYR B 8 400 0FV B S 8 FT #HET 315 315 TYR B 9 401 LA6 B S 9 FT DISORDER 1 3 FT DISORDER 87 94 FT DISORDER 161 164 FT DISORDER 316 316 FT DISORDER 321 327 CC Miss-BB 1 CC Miss-SC 3 CC SEQUENCE 307 AA (ATOM); CC GHEEFDIPFP SRVNPFHARA EDRHVAWMRA MGLITGDAAE ATYRRWSPAK VGARWFYLAQ CC GEDLDLGCDI FGWFFAYDDH FDGTAAFVNR TVAMLDPRAD PTGEHPLNIA FHDLWQRESA CC PMSPLWQRRA VDHWTQYLTA HITEATNRTP TIADYLELRH RTGFMPPLLD LIERVWRAEI CC PAPVYTTPEV QTLLHTTNQN INIVNDVLSL EKEEAHGDPH NLVLVIQHER QSTRQQALAT CC ARRMIDEWTD TFIRTEPRLP ALCGRLGIPL ADRTSLYTAV EGMRAAIRGN YDWCAETNRY CC VHRPTPW CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MPAGHEEFDIPFPSRVNPFHARAEDRHVAWMRAMGLITGDAAEATYRRWS CC ATOM ---GHEEFDIPFPSRVNPFHARAEDRHVAWMRAMGLITGDAAEATYRRWS CC *********************************************** CC SEQRES PAKVGARWFYLAQGEDLDLGCDIFGWFFAYDDHFDGPTGTDPRQTAAFVN CC ATOM PAKVGARWFYLAQGEDLDLGCDIFGWFFAYDDHFDG--------TAAFVN CC ************************************ ****** CC SEQRES RTVAMLDPRADPTGEHPLNIAFHDLWQRESAPMSPLWQRRAVDHWTQYLT CC ATOM RTVAMLDPRADPTGEHPLNIAFHDLWQRESAPMSPLWQRRAVDHWTQYLT CC ************************************************** CC SEQRES AHITEATNRTRHTSPTIADYLELRHRTGFMPPLLDLIERVWRAEIPAPVY CC ATOM AHITEATNRT----PTIADYLELRHRTGFMPPLLDLIERVWRAEIPAPVY CC ********** ************************************ CC SEQRES TTPEVQTLLHTTNQNINIVNDVLSLEKEEAHGDPHNLVLVIQHERQSTRQ CC ATOM TTPEVQTLLHTTNQNINIVNDVLSLEKEEAHGDPHNLVLVIQHERQSTRQ CC ************************************************** CC SEQRES QALATARRMIDEWTDTFIRTEPRLPALCGRLGIPLADRTSLYTAVEGMRA CC ATOM QALATARRMIDEWTDTFIRTEPRLPALCGRLGIPLADRTSLYTAVEGMRA CC ************************************************** CC SEQRES AIRGNYDWCAETNRYAVHRPTGTGRATTPW CC ATOM AIRGNYDWCAETNRY-VHRP-------TPW CC *************** **** *** SQ SEQUENCE 330 AA; MW; CN; MPAGHEEFDI PFPSRVNPFH ARAEDRHVAW MRAMGLITGD AAEATYRRWS PAKVGARWFY LAQGEDLDLG CDIFGWFFAY DDHFDGPTGT DPRQTAAFVN RTVAMLDPRA DPTGEHPLNI AFHDLWQRES APMSPLWQRR AVDHWTQYLT AHITEATNRT RHTSPTIADY LELRHRTGFM PPLLDLIERV WRAEIPAPVY TTPEVQTLLH TTNQNINIVN DVLSLEKEEA HGDPHNLVLV IQHERQSTRQ QALATARRMI DEWTDTFIRT EPRLPALCGR LGIPLADRTS LYTAVEGMRA AIRGNYDWCA ETNRYAVHRP TGTGRATTPW //