ID 3U17A STANDARD; PRT; 544 AA. DT CONVERTED FROM PDB (SEQRES) 3U17 DE Peptide arylation enzyme OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.190 FT #SUB 115 113 ARG A 269 267 GLU B Protein S 2 FT #SUB 117 115 TYR A 293 291 ILE B Protein S 2 FT #SUB 117 115 TYR A 294 292 MET B Protein S 6 FT #SUB 117 115 TYR A 297 295 GLU B Protein S 2 FT #SUB 293 291 ILE A 117 115 TYR B Protein S 1 FT #SUB 293 291 ILE A 204 202 GLY B Protein S 2 FT #SUB 294 292 MET A 117 115 TYR B Protein S 4 FT #SUB 318 316 SER A 203 201 THR B Protein B 1 FT #SUB 423 421 LEU A 423 421 LEU B Protein S 1 FT #SUB 435 433 VAL A 438 436 ILE B Protein B 3 FT #SUB 435 433 VAL A 439 437 LYS B Protein B 7 FT #SUB 436 434 GLY A 437 435 ARG B Protein B 2 FT #SUB 436 434 GLY A 439 437 LYS B Protein B 1 FT #SUB 437 435 ARG A 436 434 GLY B Protein B 2 FT #SUB 437 435 ARG A 437 435 ARG B Protein B 6 FT #SUB 438 436 ILE A 435 433 VAL B Protein A 5 FT #SUB 439 437 LYS A 435 433 VAL B Protein A 3 FT #HET 55 53 GLN A 3 545 CA A B 2 FT #HET 60 58 GLU A 3 545 CA A S 3 FT #HET 111 109 LEU A 1 543 H90 A S 2 FT #HET 113 111 SER A 1 543 H90 A S 1 FT #HET 227 225 CYS A 6 548 MPD A B 2 FT #HET 228 226 GLY A 6 548 MPD A B 2 FT #HET 229 227 LEU A 6 548 MPD A S 1 FT #HET 233 231 THR A 6 548 MPD A A 7 FT #HET 239 237 LEU A 1 543 H90 A S 1 FT #HET 240 238 PRO A 1 543 H90 A S 8 FT #HET 243 241 HIS A 1 543 H90 A S 10 FT #HET 244 242 ASN A 1 543 H90 A A 6 FT #HET 245 243 PHE A 1 543 H90 A A 11 FT #HET 249 247 SER A 1 543 H90 A S 3 FT #HET 283 281 ASN A 6 548 MPD A A 3 FT #HET 284 282 MET A 6 548 MPD A S 1 FT #HET 288 286 VAL A 1 543 H90 A S 4 FT #HET 307 305 GLN A 4 546 CA A B 2 FT #HET 309 307 LEU A 4 546 CA A B 2 FT #HET 310 308 LYS A 6 548 MPD A S 3 FT #HET 315 313 GLY A 1 543 H90 A B 2 FT #HET 316 314 GLY A 1 543 H90 A B 13 FT #HET 329 327 GLU A 2 544 CA A B 2 FT #HET 332 330 ASN A 2 544 CA A S 3 FT #HET 332 330 ASN A 4 546 CA A B 2 FT #HET 338 336 VAL A 1 543 H90 A A 3 FT #HET 339 337 PHE A 1 543 H90 A A 4 FT #HET 340 338 GLY A 1 543 H90 A B 25 FT #HET 341 339 MET A 1 543 H90 A B 7 FT #HET 342 340 ALA A 1 543 H90 A B 1 FT #HET 351 349 LEU A 6 548 MPD A S 1 FT #HET 420 418 SER A 5 547 CA A B 1 FT #HET 437 435 ARG A 1 543 H90 A S 8 FT DISORDER 1 4 FT DISORDER 201 202 FT DISORDER 440 544 CC SEQUENCE 433 AA (ATOM); CC KQLIEFVRWS PERAQHYRNK GYWIDQPLTR ILTVGVQSHP HSLAIICGER QLSYIELDRL CC STNLATRLAE KGLGKGDTAL VQLPNVAEFY IVFFALLKAG VVVLNALYSH RQYELNAFIK CC QIQPKLLIGS RQHEVFSNNQ FIDSLHDVNL SPEIILMLNH QATDFGLLDW IETPAETFVD CC FSSTPADEVA FFQLSGTGTP KLIPRTHNDY DYSVRASAEI CGLNSNTRLL CALPAPHNFM CC LSSPGALGVL HAGGCVVMAP NPEPLNCFSI IQRHQVNMAS LVPSAVIMWL EKAAQYKDQI CC QSLKLLQVGG ASFPESLARQ VPEVLNCKLQ QVFGMAEGLV NYTRLDDSDE QIFTTQGRPI CC SSDDEIKIVD EQYREVPEGE IGMLATRGPY TFCGYYQSPE HNSQVFDEDN YYYSGDLVQR CC TPDGNLRVVG RIK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GHMKKQLIEFVRWSPERAQHYRNKGYWIDQPLTRILTVGVQSHPHSLAII CC ATOM ----KQLIEFVRWSPERAQHYRNKGYWIDQPLTRILTVGVQSHPHSLAII CC ********************************************** CC SEQRES CGERQLSYIELDRLSTNLATRLAEKGLGKGDTALVQLPNVAEFYIVFFAL CC ATOM CGERQLSYIELDRLSTNLATRLAEKGLGKGDTALVQLPNVAEFYIVFFAL CC ************************************************** CC SEQRES LKAGVVVLNALYSHRQYELNAFIKQIQPKLLIGSRQHEVFSNNQFIDSLH CC ATOM LKAGVVVLNALYSHRQYELNAFIKQIQPKLLIGSRQHEVFSNNQFIDSLH CC ************************************************** CC SEQRES DVNLSPEIILMLNHQATDFGLLDWIETPAETFVDFSSTPADEVAFFQLSG CC ATOM DVNLSPEIILMLNHQATDFGLLDWIETPAETFVDFSSTPADEVAFFQLSG CC ************************************************** CC SEQRES GSTGTPKLIPRTHNDYDYSVRASAEICGLNSNTRLLCALPAPHNFMLSSP CC ATOM --TGTPKLIPRTHNDYDYSVRASAEICGLNSNTRLLCALPAPHNFMLSSP CC ************************************************ CC SEQRES GALGVLHAGGCVVMAPNPEPLNCFSIIQRHQVNMASLVPSAVIMWLEKAA CC ATOM GALGVLHAGGCVVMAPNPEPLNCFSIIQRHQVNMASLVPSAVIMWLEKAA CC ************************************************** CC SEQRES QYKDQIQSLKLLQVGGASFPESLARQVPEVLNCKLQQVFGMAEGLVNYTR CC ATOM QYKDQIQSLKLLQVGGASFPESLARQVPEVLNCKLQQVFGMAEGLVNYTR CC ************************************************** CC SEQRES LDDSDEQIFTTQGRPISSDDEIKIVDEQYREVPEGEIGMLATRGPYTFCG CC ATOM LDDSDEQIFTTQGRPISSDDEIKIVDEQYREVPEGEIGMLATRGPYTFCG CC ************************************************** CC SEQRES YYQSPEHNSQVFDEDNYYYSGDLVQRTPDGNLRVVGRIKDQINRGGEKIA CC ATOM YYQSPEHNSQVFDEDNYYYSGDLVQRTPDGNLRVVGRIK----------- CC *************************************** CC SEQRES SEEIEKLILLHPEVMHAALVAIVDEQFGEKSCAFIVSRNPELKAVVLRRH CC ATOM -------------------------------------------------- CC CC SEQRES LMELGIAQYKLPDQIKLIESLPLTAVGKVDKKQLRSILNTSTTS CC ATOM -------------------------------------------- CC SQ SEQUENCE 544 AA; MW; CN; GHMKKQLIEF VRWSPERAQH YRNKGYWIDQ PLTRILTVGV QSHPHSLAII CGERQLSYIE LDRLSTNLAT RLAEKGLGKG DTALVQLPNV AEFYIVFFAL LKAGVVVLNA LYSHRQYELN AFIKQIQPKL LIGSRQHEVF SNNQFIDSLH DVNLSPEIIL MLNHQATDFG LLDWIETPAE TFVDFSSTPA DEVAFFQLSG GSTGTPKLIP RTHNDYDYSV RASAEICGLN SNTRLLCALP APHNFMLSSP GALGVLHAGG CVVMAPNPEP LNCFSIIQRH QVNMASLVPS AVIMWLEKAA QYKDQIQSLK LLQVGGASFP ESLARQVPEV LNCKLQQVFG MAEGLVNYTR LDDSDEQIFT TQGRPISSDD EIKIVDEQYR EVPEGEIGML ATRGPYTFCG YYQSPEHNSQ VFDEDNYYYS GDLVQRTPDG NLRVVGRIKD QINRGGEKIA SEEIEKLILL HPEVMHAALV AIVDEQFGEK SCAFIVSRNP ELKAVVLRRH LMELGIAQYK LPDQIKLIES LPLTAVGKVD KKQLRSILNT STTS // ID 3U17B STANDARD; PRT; 544 AA. DT CONVERTED FROM PDB (SEQRES) 3U17 DE Peptide arylation enzyme OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.190 FT #SUB 117 115 TYR B 293 291 ILE A Protein S 1 FT #SUB 117 115 TYR B 294 292 MET A Protein S 4 FT #SUB 203 201 THR B 318 316 SER A Protein S 1 FT #SUB 204 202 GLY B 293 291 ILE A Protein B 2 FT #SUB 269 267 GLU B 115 113 ARG A Protein S 2 FT #SUB 293 291 ILE B 117 115 TYR A Protein S 2 FT #SUB 294 292 MET B 117 115 TYR A Protein S 6 FT #SUB 297 295 GLU B 117 115 TYR A Protein S 2 FT #SUB 423 421 LEU B 423 421 LEU A Protein S 1 FT #SUB 435 433 VAL B 438 436 ILE A Protein A 5 FT #SUB 435 433 VAL B 439 437 LYS A Protein B 3 FT #SUB 436 434 GLY B 437 435 ARG A Protein B 2 FT #SUB 437 435 ARG B 436 434 GLY A Protein B 2 FT #SUB 437 435 ARG B 437 435 ARG A Protein B 6 FT #SUB 438 436 ILE B 435 433 VAL A Protein A 3 FT #SUB 439 437 LYS B 435 433 VAL A Protein A 7 FT #SUB 439 437 LYS B 436 434 GLY A Protein S 1 FT #HET 55 53 GLN B 9 545 CA B B 2 FT #HET 60 58 GLU B 9 545 CA B S 3 FT #HET 111 109 LEU B 7 543 H90 B S 1 FT #HET 113 111 SER B 7 543 H90 B S 1 FT #HET 227 225 CYS B 11 547 MRD B B 2 FT #HET 228 226 GLY B 11 547 MRD B B 3 FT #HET 229 227 LEU B 11 547 MRD B S 1 FT #HET 233 231 THR B 11 547 MRD B A 6 FT #HET 239 237 LEU B 7 543 H90 B S 1 FT #HET 240 238 PRO B 7 543 H90 B S 8 FT #HET 243 241 HIS B 7 543 H90 B S 14 FT #HET 244 242 ASN B 7 543 H90 B A 6 FT #HET 245 243 PHE B 7 543 H90 B A 9 FT #HET 249 247 SER B 7 543 H90 B S 2 FT #HET 283 281 ASN B 11 547 MRD B A 3 FT #HET 284 282 MET B 11 547 MRD B S 1 FT #HET 288 286 VAL B 7 543 H90 B S 4 FT #HET 307 305 GLN B 8 544 CA B B 2 FT #HET 309 307 LEU B 8 544 CA B B 2 FT #HET 310 308 LYS B 11 547 MRD B S 2 FT #HET 316 314 GLY B 7 543 H90 B B 16 FT #HET 332 330 ASN B 8 544 CA B B 2 FT #HET 338 336 VAL B 7 543 H90 B A 3 FT #HET 339 337 PHE B 7 543 H90 B A 4 FT #HET 340 338 GLY B 7 543 H90 B B 18 FT #HET 341 339 MET B 7 543 H90 B B 7 FT #HET 342 340 ALA B 7 543 H90 B B 1 FT #HET 346 344 VAL B 7 543 H90 B S 1 FT #HET 351 349 LEU B 11 547 MRD B S 1 FT #HET 420 418 SER B 10 546 CA B B 2 FT DISORDER 1 4 FT DISORDER 441 544 CC SEQUENCE 436 AA (ATOM); CC KQLIEFVRWS PERAQHYRNK GYWIDQPLTR ILTVGVQSHP HSLAIICGER QLSYIELDRL CC STNLATRLAE KGLGKGDTAL VQLPNVAEFY IVFFALLKAG VVVLNALYSH RQYELNAFIK CC QIQPKLLIGS RQHEVFSNNQ FIDSLHDVNL SPEIILMLNH QATDFGLLDW IETPAETFVD CC FSSTPADEVA FFQLSGGSTG TPKLIPRTHN DYDYSVRASA EICGLNSNTR LLCALPAPHN CC FMLSSPGALG VLHAGGCVVM APNPEPLNCF SIIQRHQVNM ASLVPSAVIM WLEKAAQYKD CC QIQSLKLLQV GGASFPESLA RQVPEVLNCK LQQVFGMAEG LVNYTRLDDS DEQIFTTQGR CC PISSDDEIKI VDEQYREVPE GEIGMLATRG PYTFCGYYQS PEHNSQVFDE DNYYYSGDLV CC QRTPDGNLRV VGRIKD CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GHMKKQLIEFVRWSPERAQHYRNKGYWIDQPLTRILTVGVQSHPHSLAII CC ATOM ----KQLIEFVRWSPERAQHYRNKGYWIDQPLTRILTVGVQSHPHSLAII CC ********************************************** CC SEQRES CGERQLSYIELDRLSTNLATRLAEKGLGKGDTALVQLPNVAEFYIVFFAL CC ATOM CGERQLSYIELDRLSTNLATRLAEKGLGKGDTALVQLPNVAEFYIVFFAL CC ************************************************** CC SEQRES LKAGVVVLNALYSHRQYELNAFIKQIQPKLLIGSRQHEVFSNNQFIDSLH CC ATOM LKAGVVVLNALYSHRQYELNAFIKQIQPKLLIGSRQHEVFSNNQFIDSLH CC ************************************************** CC SEQRES DVNLSPEIILMLNHQATDFGLLDWIETPAETFVDFSSTPADEVAFFQLSG CC ATOM DVNLSPEIILMLNHQATDFGLLDWIETPAETFVDFSSTPADEVAFFQLSG CC ************************************************** CC SEQRES GSTGTPKLIPRTHNDYDYSVRASAEICGLNSNTRLLCALPAPHNFMLSSP CC ATOM GSTGTPKLIPRTHNDYDYSVRASAEICGLNSNTRLLCALPAPHNFMLSSP CC ************************************************** CC SEQRES GALGVLHAGGCVVMAPNPEPLNCFSIIQRHQVNMASLVPSAVIMWLEKAA CC ATOM GALGVLHAGGCVVMAPNPEPLNCFSIIQRHQVNMASLVPSAVIMWLEKAA CC ************************************************** CC SEQRES QYKDQIQSLKLLQVGGASFPESLARQVPEVLNCKLQQVFGMAEGLVNYTR CC ATOM QYKDQIQSLKLLQVGGASFPESLARQVPEVLNCKLQQVFGMAEGLVNYTR CC ************************************************** CC SEQRES LDDSDEQIFTTQGRPISSDDEIKIVDEQYREVPEGEIGMLATRGPYTFCG CC ATOM LDDSDEQIFTTQGRPISSDDEIKIVDEQYREVPEGEIGMLATRGPYTFCG CC ************************************************** CC SEQRES YYQSPEHNSQVFDEDNYYYSGDLVQRTPDGNLRVVGRIKDQINRGGEKIA CC ATOM YYQSPEHNSQVFDEDNYYYSGDLVQRTPDGNLRVVGRIKD---------- CC **************************************** CC SEQRES SEEIEKLILLHPEVMHAALVAIVDEQFGEKSCAFIVSRNPELKAVVLRRH CC ATOM -------------------------------------------------- CC CC SEQRES LMELGIAQYKLPDQIKLIESLPLTAVGKVDKKQLRSILNTSTTS CC ATOM -------------------------------------------- CC SQ SEQUENCE 544 AA; MW; CN; GHMKKQLIEF VRWSPERAQH YRNKGYWIDQ PLTRILTVGV QSHPHSLAII CGERQLSYIE LDRLSTNLAT RLAEKGLGKG DTALVQLPNV AEFYIVFFAL LKAGVVVLNA LYSHRQYELN AFIKQIQPKL LIGSRQHEVF SNNQFIDSLH DVNLSPEIIL MLNHQATDFG LLDWIETPAE TFVDFSSTPA DEVAFFQLSG GSTGTPKLIP RTHNDYDYSV RASAEICGLN SNTRLLCALP APHNFMLSSP GALGVLHAGG CVVMAPNPEP LNCFSIIQRH QVNMASLVPS AVIMWLEKAA QYKDQIQSLK LLQVGGASFP ESLARQVPEV LNCKLQQVFG MAEGLVNYTR LDDSDEQIFT TQGRPISSDD EIKIVDEQYR EVPEGEIGML ATRGPYTFCG YYQSPEHNSQ VFDEDNYYYS GDLVQRTPDG NLRVVGRIKD QINRGGEKIA SEEIEKLILL HPEVMHAALV AIVDEQFGEK SCAFIVSRNP ELKAVVLRRH LMELGIAQYK LPDQIKLIES LPLTAVGKVD KKQLRSILNT STTS //