ID 4E0UA STANDARD; PRT; 428 AA. DT CONVERTED FROM PDB (SEQRES) 4E0U DE Cyclic dipeptide N-prenyltransferase OS Aspergillus fumigatus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.600 CC R-Factor 0.198 FT #SUB 124 136 ARG A 144 156 SER B Protein S 5 FT #SUB 124 136 ARG A 145 157 GLN B Protein S 1 FT #SUB 124 136 ARG A 148 160 LEU B Protein S 4 FT #SUB 126 138 GLN A 148 160 LEU B Protein S 5 FT #SUB 131 143 HIS A 151 163 LYS B Protein A 6 FT #SUB 137 149 THR A 147 159 GLN B Protein S 1 FT #SUB 137 149 THR A 148 160 LEU B Protein S 1 FT #SUB 140 152 ASN A 155 167 ILE B Protein S 1 FT #SUB 141 153 ALA A 144 156 SER B Protein A 5 FT #SUB 144 156 SER A 124 136 ARG B Protein B 4 FT #SUB 144 156 SER A 141 153 ALA B Protein S 5 FT #SUB 145 157 GLN A 124 136 ARG B Protein S 1 FT #SUB 147 159 GLN A 137 149 THR B Protein S 1 FT #SUB 148 160 LEU A 124 136 ARG B Protein S 5 FT #SUB 148 160 LEU A 126 138 GLN B Protein S 4 FT #SUB 148 160 LEU A 137 149 THR B Protein S 1 FT #SUB 151 163 LYS A 131 143 HIS B Protein S 7 FT #SUB 154 166 ASN A 169 181 ALA B Protein S 1 FT #SUB 155 167 ILE A 140 152 ASN B Protein S 1 FT #SUB 156 168 GLU A 168 180 THR B Protein S 4 FT #SUB 156 168 GLU A 169 181 ALA B Protein S 2 FT #SUB 159 171 HIS A 159 171 HIS B Protein A 10 FT #SUB 160 172 LEU A 163 175 GLU B Protein S 1 FT #SUB 163 175 GLU A 160 172 LEU B Protein S 3 FT #SUB 168 180 THR A 156 168 GLU B Protein A 8 FT #SUB 169 181 ALA A 154 166 ASN B Protein S 1 FT #SUB 169 181 ALA A 156 168 GLU B Protein A 2 FT #SUB 173 185 ARG A 267 279 ASP B Protein S 2 FT #SUB 267 279 ASP A 170 182 LYS B Protein S 1 FT #SUB 267 279 ASP A 173 185 ARG B Protein S 1 FT #HET 35 47 LEU A 6 506 EDO A B 2 FT #HET 36 48 LEU A 6 506 EDO A A 4 FT #HET 37 49 PHE A 6 506 EDO A A 3 FT #HET 96 108 THR A 1 501 0MV A A 8 FT #HET 96 108 THR A 4 504 EDO A A 3 FT #HET 97 109 LEU A 1 501 0MV A A 3 FT #HET 104 116 GLU A 1 501 0MV A S 5 FT #HET 104 116 GLU A 4 504 EDO A S 1 FT #HET 117 129 ARG A 2 502 PIS A S 9 FT #HET 119 131 ALA A 1 501 0MV A S 2 FT #HET 189 201 VAL A 1 501 0MV A S 2 FT #HET 191 203 THR A 1 501 0MV A S 5 FT #HET 207 219 LYS A 2 502 PIS A S 7 FT #HET 209 221 TYR A 1 501 0MV A S 5 FT #HET 209 221 TYR A 2 502 PIS A S 5 FT #HET 211 223 PHE A 1 501 0MV A S 7 FT #HET 260 272 PHE A 1 501 0MV A S 1 FT #HET 272 284 ARG A 2 502 PIS A S 4 FT #HET 274 286 LYS A 2 502 PIS A S 9 FT #HET 276 288 TYR A 2 502 PIS A S 5 FT #HET 337 349 MET A 1 501 0MV A S 4 FT #HET 337 349 MET A 3 503 IMD A S 2 FT #HET 352 364 LYS A 2 502 PIS A S 5 FT #HET 354 366 TYR A 2 502 PIS A S 5 FT #HET 354 366 TYR A 3 503 IMD A S 10 FT #HET 357 369 LEU A 5 505 NA A A 3 FT #HET 360 372 ILE A 5 505 NA A B 2 FT #HET 362 374 GLU A 5 505 NA A S 3 FT #HET 365 377 ILE A 5 505 NA A S 1 FT #HET 402 414 THR A 5 505 NA A B 3 FT #HET 405 417 GLN A 5 505 NA A B 2 FT #HET 407 419 TRP A 3 503 IMD A S 6 FT #HET 407 419 TRP A 4 504 EDO A S 4 FT #HET 419 431 TYR A 2 502 PIS A S 5 FT #HET 423 435 TYR A 2 502 PIS A S 6 FT #HET 423 435 TYR A 3 503 IMD A S 3 FT #HET 425 437 PHE A 4 504 EDO A S 3 FT DISORDER 1 20 CC SEQUENCE 408 AA (ATOM); CC PIPKDIAYHT LTKALLFPDI DQYQHWHHVA PMLAKMLVDG KYSIHQQYEY LCLFAQLVAP CC VLGPYPSPGR DVYRCTLGGN MTVELSQNFQ RSGSTTRIAF EPVRYQASVG HDRFNRTSVN CC AFFSQLQLLV KSVNIELHHL LSEHLTLTAK DERNLNEEQL TKYLTNFQVK TQYVVALDLR CC KTGIVAKEYF FPGIKCAATG QTGSNACFGA IRAVDKDGHL DSLCQLIEAH FQQSKIDDAF CC LCCDLVDPAH TRFKVYIADP LVTLARAEEH WTLGGRLTDE DAAVGLEIIR GLWSELGIIQ CC GPLEPSAMME KGLLPIMLNY EMKAGQRLPK PKLYMPLTGI PETKIARIMT AFFQRHDMPE CC QAEVFMENLQ AYYEGKNLEE ATRYQAWLSF AYTKEKGPYL SIYYFWPE CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HHHHHHSSGLVPRGSHQSQAPIPKDIAYHTLTKALLFPDIDQYQHWHHVA CC ATOM --------------------PIPKDIAYHTLTKALLFPDIDQYQHWHHVA CC ****************************** CC SEQRES PMLAKMLVDGKYSIHQQYEYLCLFAQLVAPVLGPYPSPGRDVYRCTLGGN CC ATOM PMLAKMLVDGKYSIHQQYEYLCLFAQLVAPVLGPYPSPGRDVYRCTLGGN CC ************************************************** CC SEQRES MTVELSQNFQRSGSTTRIAFEPVRYQASVGHDRFNRTSVNAFFSQLQLLV CC ATOM MTVELSQNFQRSGSTTRIAFEPVRYQASVGHDRFNRTSVNAFFSQLQLLV CC ************************************************** CC SEQRES KSVNIELHHLLSEHLTLTAKDERNLNEEQLTKYLTNFQVKTQYVVALDLR CC ATOM KSVNIELHHLLSEHLTLTAKDERNLNEEQLTKYLTNFQVKTQYVVALDLR CC ************************************************** CC SEQRES KTGIVAKEYFFPGIKCAATGQTGSNACFGAIRAVDKDGHLDSLCQLIEAH CC ATOM KTGIVAKEYFFPGIKCAATGQTGSNACFGAIRAVDKDGHLDSLCQLIEAH CC ************************************************** CC SEQRES FQQSKIDDAFLCCDLVDPAHTRFKVYIADPLVTLARAEEHWTLGGRLTDE CC ATOM FQQSKIDDAFLCCDLVDPAHTRFKVYIADPLVTLARAEEHWTLGGRLTDE CC ************************************************** CC SEQRES DAAVGLEIIRGLWSELGIIQGPLEPSAMMEKGLLPIMLNYEMKAGQRLPK CC ATOM DAAVGLEIIRGLWSELGIIQGPLEPSAMMEKGLLPIMLNYEMKAGQRLPK CC ************************************************** CC SEQRES PKLYMPLTGIPETKIARIMTAFFQRHDMPEQAEVFMENLQAYYEGKNLEE CC ATOM PKLYMPLTGIPETKIARIMTAFFQRHDMPEQAEVFMENLQAYYEGKNLEE CC ************************************************** CC SEQRES ATRYQAWLSFAYTKEKGPYLSIYYFWPE CC ATOM ATRYQAWLSFAYTKEKGPYLSIYYFWPE CC **************************** SQ SEQUENCE 428 AA; MW; CN; HHHHHHSSGL VPRGSHQSQA PIPKDIAYHT LTKALLFPDI DQYQHWHHVA PMLAKMLVDG KYSIHQQYEY LCLFAQLVAP VLGPYPSPGR DVYRCTLGGN MTVELSQNFQ RSGSTTRIAF EPVRYQASVG HDRFNRTSVN AFFSQLQLLV KSVNIELHHL LSEHLTLTAK DERNLNEEQL TKYLTNFQVK TQYVVALDLR KTGIVAKEYF FPGIKCAATG QTGSNACFGA IRAVDKDGHL DSLCQLIEAH FQQSKIDDAF LCCDLVDPAH TRFKVYIADP LVTLARAEEH WTLGGRLTDE DAAVGLEIIR GLWSELGIIQ GPLEPSAMME KGLLPIMLNY EMKAGQRLPK PKLYMPLTGI PETKIARIMT AFFQRHDMPE QAEVFMENLQ AYYEGKNLEE ATRYQAWLSF AYTKEKGPYL SIYYFWPE // ID 4E0UB STANDARD; PRT; 428 AA. DT CONVERTED FROM PDB (SEQRES) 4E0U DE Cyclic dipeptide N-prenyltransferase OS Aspergillus fumigatus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.600 CC R-Factor 0.198 FT #SUB 124 136 ARG B 144 156 SER A Protein S 4 FT #SUB 124 136 ARG B 145 157 GLN A Protein S 1 FT #SUB 124 136 ARG B 148 160 LEU A Protein S 5 FT #SUB 126 138 GLN B 148 160 LEU A Protein S 4 FT #SUB 131 143 HIS B 151 163 LYS A Protein A 7 FT #SUB 137 149 THR B 147 159 GLN A Protein S 1 FT #SUB 137 149 THR B 148 160 LEU A Protein S 1 FT #SUB 140 152 ASN B 155 167 ILE A Protein S 1 FT #SUB 141 153 ALA B 144 156 SER A Protein A 5 FT #SUB 144 156 SER B 124 136 ARG A Protein A 5 FT #SUB 144 156 SER B 141 153 ALA A Protein S 5 FT #SUB 145 157 GLN B 124 136 ARG A Protein S 1 FT #SUB 147 159 GLN B 137 149 THR A Protein S 1 FT #SUB 148 160 LEU B 124 136 ARG A Protein S 4 FT #SUB 148 160 LEU B 126 138 GLN A Protein S 5 FT #SUB 148 160 LEU B 137 149 THR A Protein S 1 FT #SUB 151 163 LYS B 131 143 HIS A Protein S 6 FT #SUB 154 166 ASN B 169 181 ALA A Protein S 1 FT #SUB 155 167 ILE B 140 152 ASN A Protein S 1 FT #SUB 156 168 GLU B 168 180 THR A Protein S 8 FT #SUB 156 168 GLU B 169 181 ALA A Protein S 2 FT #SUB 159 171 HIS B 159 171 HIS A Protein A 10 FT #SUB 160 172 LEU B 163 175 GLU A Protein S 3 FT #SUB 163 175 GLU B 160 172 LEU A Protein S 1 FT #SUB 168 180 THR B 156 168 GLU A Protein A 4 FT #SUB 169 181 ALA B 154 166 ASN A Protein S 1 FT #SUB 169 181 ALA B 156 168 GLU A Protein A 2 FT #SUB 170 182 LYS B 267 279 ASP A Protein S 1 FT #SUB 173 185 ARG B 267 279 ASP A Protein S 1 FT #SUB 267 279 ASP B 173 185 ARG A Protein S 2 FT #HET 35 47 LEU B 11 505 EDO B B 2 FT #HET 36 48 LEU B 11 505 EDO B A 2 FT #HET 37 49 PHE B 11 505 EDO B A 4 FT #HET 43 55 TYR B 11 505 EDO B S 1 FT #HET 95 107 CYS B 7 501 0MV B S 2 FT #HET 96 108 THR B 7 501 0MV B A 8 FT #HET 96 108 THR B 9 503 EDO B B 2 FT #HET 97 109 LEU B 7 501 0MV B A 4 FT #HET 104 116 GLU B 7 501 0MV B S 6 FT #HET 104 116 GLU B 9 503 EDO B S 4 FT #HET 117 129 ARG B 8 502 PIS B S 7 FT #HET 119 131 ALA B 7 501 0MV B S 2 FT #HET 189 201 VAL B 7 501 0MV B S 2 FT #HET 191 203 THR B 7 501 0MV B S 5 FT #HET 207 219 LYS B 8 502 PIS B S 6 FT #HET 209 221 TYR B 7 501 0MV B S 8 FT #HET 209 221 TYR B 8 502 PIS B S 6 FT #HET 211 223 PHE B 7 501 0MV B S 5 FT #HET 272 284 ARG B 8 502 PIS B S 3 FT #HET 274 286 LYS B 8 502 PIS B S 9 FT #HET 276 288 TYR B 8 502 PIS B S 6 FT #HET 337 349 MET B 7 501 0MV B S 2 FT #HET 337 349 MET B 10 504 IMD B S 3 FT #HET 352 364 LYS B 8 502 PIS B S 5 FT #HET 354 366 TYR B 8 502 PIS B S 5 FT #HET 354 366 TYR B 10 504 IMD B S 12 FT #HET 407 419 TRP B 9 503 EDO B S 3 FT #HET 407 419 TRP B 10 504 IMD B S 11 FT #HET 419 431 TYR B 8 502 PIS B S 5 FT #HET 423 435 TYR B 8 502 PIS B S 6 FT #HET 423 435 TYR B 10 504 IMD B S 3 FT #HET 425 437 PHE B 9 503 EDO B S 5 FT DISORDER 1 20 CC SEQUENCE 408 AA (ATOM); CC PIPKDIAYHT LTKALLFPDI DQYQHWHHVA PMLAKMLVDG KYSIHQQYEY LCLFAQLVAP CC VLGPYPSPGR DVYRCTLGGN MTVELSQNFQ RSGSTTRIAF EPVRYQASVG HDRFNRTSVN CC AFFSQLQLLV KSVNIELHHL LSEHLTLTAK DERNLNEEQL TKYLTNFQVK TQYVVALDLR CC KTGIVAKEYF FPGIKCAATG QTGSNACFGA IRAVDKDGHL DSLCQLIEAH FQQSKIDDAF CC LCCDLVDPAH TRFKVYIADP LVTLARAEEH WTLGGRLTDE DAAVGLEIIR GLWSELGIIQ CC GPLEPSAMME KGLLPIMLNY EMKAGQRLPK PKLYMPLTGI PETKIARIMT AFFQRHDMPE CC QAEVFMENLQ AYYEGKNLEE ATRYQAWLSF AYTKEKGPYL SIYYFWPE CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HHHHHHSSGLVPRGSHQSQAPIPKDIAYHTLTKALLFPDIDQYQHWHHVA CC ATOM --------------------PIPKDIAYHTLTKALLFPDIDQYQHWHHVA CC ****************************** CC SEQRES PMLAKMLVDGKYSIHQQYEYLCLFAQLVAPVLGPYPSPGRDVYRCTLGGN CC ATOM PMLAKMLVDGKYSIHQQYEYLCLFAQLVAPVLGPYPSPGRDVYRCTLGGN CC ************************************************** CC SEQRES MTVELSQNFQRSGSTTRIAFEPVRYQASVGHDRFNRTSVNAFFSQLQLLV CC ATOM MTVELSQNFQRSGSTTRIAFEPVRYQASVGHDRFNRTSVNAFFSQLQLLV CC ************************************************** CC SEQRES KSVNIELHHLLSEHLTLTAKDERNLNEEQLTKYLTNFQVKTQYVVALDLR CC ATOM KSVNIELHHLLSEHLTLTAKDERNLNEEQLTKYLTNFQVKTQYVVALDLR CC ************************************************** CC SEQRES KTGIVAKEYFFPGIKCAATGQTGSNACFGAIRAVDKDGHLDSLCQLIEAH CC ATOM KTGIVAKEYFFPGIKCAATGQTGSNACFGAIRAVDKDGHLDSLCQLIEAH CC ************************************************** CC SEQRES FQQSKIDDAFLCCDLVDPAHTRFKVYIADPLVTLARAEEHWTLGGRLTDE CC ATOM FQQSKIDDAFLCCDLVDPAHTRFKVYIADPLVTLARAEEHWTLGGRLTDE CC ************************************************** CC SEQRES DAAVGLEIIRGLWSELGIIQGPLEPSAMMEKGLLPIMLNYEMKAGQRLPK CC ATOM DAAVGLEIIRGLWSELGIIQGPLEPSAMMEKGLLPIMLNYEMKAGQRLPK CC ************************************************** CC SEQRES PKLYMPLTGIPETKIARIMTAFFQRHDMPEQAEVFMENLQAYYEGKNLEE CC ATOM PKLYMPLTGIPETKIARIMTAFFQRHDMPEQAEVFMENLQAYYEGKNLEE CC ************************************************** CC SEQRES ATRYQAWLSFAYTKEKGPYLSIYYFWPE CC ATOM ATRYQAWLSFAYTKEKGPYLSIYYFWPE CC **************************** SQ SEQUENCE 428 AA; MW; CN; HHHHHHSSGL VPRGSHQSQA PIPKDIAYHT LTKALLFPDI DQYQHWHHVA PMLAKMLVDG KYSIHQQYEY LCLFAQLVAP VLGPYPSPGR DVYRCTLGGN MTVELSQNFQ RSGSTTRIAF EPVRYQASVG HDRFNRTSVN AFFSQLQLLV KSVNIELHHL LSEHLTLTAK DERNLNEEQL TKYLTNFQVK TQYVVALDLR KTGIVAKEYF FPGIKCAATG QTGSNACFGA IRAVDKDGHL DSLCQLIEAH FQQSKIDDAF LCCDLVDPAH TRFKVYIADP LVTLARAEEH WTLGGRLTDE DAAVGLEIIR GLWSELGIIQ GPLEPSAMME KGLLPIMLNY EMKAGQRLPK PKLYMPLTGI PETKIARIMT AFFQRHDMPE QAEVFMENLQ AYYEGKNLEE ATRYQAWLSF AYTKEKGPYL SIYYFWPE //