ID 5W12A STANDARD; PRT; 361 AA. DT CONVERTED FROM PDB (SEQRES) 5W12 DE Beta-lactamase OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.204 FT #SUB 245 243 LYS A 124 122 PRO B Protein B 3 FT #SUB 245 243 LYS A 125 123 ASP B Protein B 5 FT #SUB 246 244 TYR A 124 122 PRO B Protein B 1 FT #SUB 247 245 PRO A 126 124 GLU B Protein A 9 FT #SUB 248 246 THR A 126 124 GLU B Protein B 1 FT #SUB 187 185 LYS A 23 21 GLU C Protein S 1 FT #SUB 187 185 LYS A 24 22 LYS C Protein S 1 FT #HET 66 64 SER A 1 401 9TG A A 14 FT #HET 121 119 LEU A 1 401 9TG A S 1 FT #HET 122 120 GLN A 1 401 9TG A S 3 FT #HET 152 150 TYR A 1 401 9TG A S 4 FT #HET 154 152 ASN A 1 401 9TG A S 3 FT #HET 224 222 TYR A 1 401 9TG A S 1 FT #HET 294 292 VAL A 1 401 9TG A S 1 FT #HET 316 314 GLY A 1 401 9TG A B 2 FT #HET 317 315 SER A 1 401 9TG A A 11 FT #HET 318 316 THR A 1 401 9TG A B 5 FT #HET 319 317 SER A 1 401 9TG A A 4 FT #HET 342 340 ARG A 1 401 9TG A S 3 FT #HET 345 343 ASN A 1 401 9TG A S 3 FT DISORDER 1 7 FT DISORDER 361 361 CC SEQUENCE 353 AA (ATOM); CC QEIKKLVDQN FKPLLEKYDV PGMAVGVIQN NKKYEMYYGL QSVQDKKAVN SNTIFELGSV CC SKLFTATAGG YAKNKGKISF DDTPGKYWKE LKNTPIDQVN LLQLATYTSG NLALQFPDEV CC QTDQQVLTFF KDWKPKNPIG EYRQYSNPSI GLFGKVVALS MNKPFDQVLE KTIFPALGLK CC HSYVNVPKTQ MQNYAFGYNQ ENQPIRVNPG PLDAPAYGVK STLPDMLSFI HANLNPQKYP CC TDIQRAINET HQGRYQVNTM YQALGWEEFS YPATLQTLLD SNSEQIVMKP NKVTAISKEP CC SVKMYHKTGS TSGFGTYVVF IPKENIGLVM LTNKRIPNEE RIKAAYVVLN AIK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDNTPKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSV CC ATOM -------QEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSV CC ******************************************* CC SEQRES QDKKAVNSNTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKELKN CC ATOM QDKKAVNSNTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKELKN CC ************************************************** CC SEQRES TPIDQVNLLQLATYTSGNLALQFPDEVQTDQQVLTFFKDWKPKNPIGEYR CC ATOM TPIDQVNLLQLATYTSGNLALQFPDEVQTDQQVLTFFKDWKPKNPIGEYR CC ************************************************** CC SEQRES QYSNPSIGLFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQN CC ATOM QYSNPSIGLFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQN CC ************************************************** CC SEQRES YAFGYNQENQPIRVNPGPLDAPAYGVKSTLPDMLSFIHANLNPQKYPTDI CC ATOM YAFGYNQENQPIRVNPGPLDAPAYGVKSTLPDMLSFIHANLNPQKYPTDI CC ************************************************** CC SEQRES QRAINETHQGRYQVNTMYQALGWEEFSYPATLQTLLDSNSEQIVMKPNKV CC ATOM QRAINETHQGRYQVNTMYQALGWEEFSYPATLQTLLDSNSEQIVMKPNKV CC ************************************************** CC SEQRES TAISKEPSVKMYHKTGSTSGFGTYVVFIPKENIGLVMLTNKRIPNEERIK CC ATOM TAISKEPSVKMYHKTGSTSGFGTYVVFIPKENIGLVMLTNKRIPNEERIK CC ************************************************** CC SEQRES AAYVVLNAIKK CC ATOM AAYVVLNAIK- CC ********** SQ SEQUENCE 361 AA; MW; CN; MDNTPKDQEI KKLVDQNFKP LLEKYDVPGM AVGVIQNNKK YEMYYGLQSV QDKKAVNSNT IFELGSVSKL FTATAGGYAK NKGKISFDDT PGKYWKELKN TPIDQVNLLQ LATYTSGNLA LQFPDEVQTD QQVLTFFKDW KPKNPIGEYR QYSNPSIGLF GKVVALSMNK PFDQVLEKTI FPALGLKHSY VNVPKTQMQN YAFGYNQENQ PIRVNPGPLD APAYGVKSTL PDMLSFIHAN LNPQKYPTDI QRAINETHQG RYQVNTMYQA LGWEEFSYPA TLQTLLDSNS EQIVMKPNKV TAISKEPSVK MYHKTGSTSG FGTYVVFIPK ENIGLVMLTN KRIPNEERIK AAYVVLNAIK K // ID 5W12B STANDARD; PRT; 361 AA. DT CONVERTED FROM PDB (SEQRES) 5W12 DE Beta-lactamase OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.204 FT #SUB 124 122 PRO B 245 243 LYS A Protein A 3 FT #SUB 124 122 PRO B 246 244 TYR A Protein S 1 FT #SUB 125 123 ASP B 245 243 LYS A Protein A 5 FT #SUB 126 124 GLU B 247 245 PRO A Protein S 9 FT #SUB 126 124 GLU B 248 246 THR A Protein S 1 FT #SUB 51 49 GLN B 54 52 LYS C Protein S 2 FT #SUB 51 49 GLN B 55 53 ALA C Protein S 7 FT #SUB 51 49 GLN B 57 55 ASN C Protein S 1 FT #SUB 203 201 PHE B 55 53 ALA C Protein S 2 FT #SUB 208 206 GLU B 53 51 LYS C Protein B 4 FT #SUB 209 207 ASN B 53 51 LYS C Protein B 3 FT #SUB 210 208 GLN B 47 45 LEU C Protein S 4 FT #SUB 210 208 GLN B 50 48 VAL C Protein S 2 FT #SUB 210 208 GLN B 53 51 LYS C Protein S 6 FT #SUB 211 209 PRO B 47 45 LEU C Protein S 2 FT #SUB 211 209 PRO B 53 51 LYS C Protein S 3 FT #SUB 211 209 PRO B 55 53 ALA C Protein S 2 FT #SUB 215 213 ASN B 19 17 LYS C Protein S 3 FT #SUB 216 214 PRO B 15 13 ASP C Protein S 1 FT #HET 66 64 SER B 2 401 9TG B A 14 FT #HET 69 67 LYS B 2 401 9TG B S 1 FT #HET 121 119 LEU B 2 401 9TG B S 1 FT #HET 122 120 GLN B 2 401 9TG B S 3 FT #HET 152 150 TYR B 2 401 9TG B S 4 FT #HET 154 152 ASN B 2 401 9TG B S 2 FT #HET 224 222 TYR B 2 401 9TG B S 1 FT #HET 294 292 VAL B 2 401 9TG B S 1 FT #HET 316 314 GLY B 2 401 9TG B B 2 FT #HET 317 315 SER B 2 401 9TG B B 12 FT #HET 318 316 THR B 2 401 9TG B B 6 FT #HET 319 317 SER B 2 401 9TG B B 2 FT #HET 342 340 ARG B 2 401 9TG B S 1 FT #HET 345 343 ASN B 2 401 9TG B S 3 FT DISORDER 1 3 CC SEQUENCE 358 AA (ATOM); CC TPKDQEIKKL VDQNFKPLLE KYDVPGMAVG VIQNNKKYEM YYGLQSVQDK KAVNSNTIFE CC LGSVSKLFTA TAGGYAKNKG KISFDDTPGK YWKELKNTPI DQVNLLQLAT YTSGNLALQF CC PDEVQTDQQV LTFFKDWKPK NPIGEYRQYS NPSIGLFGKV VALSMNKPFD QVLEKTIFPA CC LGLKHSYVNV PKTQMQNYAF GYNQENQPIR VNPGPLDAPA YGVKSTLPDM LSFIHANLNP CC QKYPTDIQRA INETHQGRYQ VNTMYQALGW EEFSYPATLQ TLLDSNSEQI VMKPNKVTAI CC SKEPSVKMYH KTGSTSGFGT YVVFIPKENI GLVMLTNKRI PNEERIKAAY VVLNAIKK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDNTPKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSV CC ATOM ---TPKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSV CC *********************************************** CC SEQRES QDKKAVNSNTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKELKN CC ATOM QDKKAVNSNTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKELKN CC ************************************************** CC SEQRES TPIDQVNLLQLATYTSGNLALQFPDEVQTDQQVLTFFKDWKPKNPIGEYR CC ATOM TPIDQVNLLQLATYTSGNLALQFPDEVQTDQQVLTFFKDWKPKNPIGEYR CC ************************************************** CC SEQRES QYSNPSIGLFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQN CC ATOM QYSNPSIGLFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQN CC ************************************************** CC SEQRES YAFGYNQENQPIRVNPGPLDAPAYGVKSTLPDMLSFIHANLNPQKYPTDI CC ATOM YAFGYNQENQPIRVNPGPLDAPAYGVKSTLPDMLSFIHANLNPQKYPTDI CC ************************************************** CC SEQRES QRAINETHQGRYQVNTMYQALGWEEFSYPATLQTLLDSNSEQIVMKPNKV CC ATOM QRAINETHQGRYQVNTMYQALGWEEFSYPATLQTLLDSNSEQIVMKPNKV CC ************************************************** CC SEQRES TAISKEPSVKMYHKTGSTSGFGTYVVFIPKENIGLVMLTNKRIPNEERIK CC ATOM TAISKEPSVKMYHKTGSTSGFGTYVVFIPKENIGLVMLTNKRIPNEERIK CC ************************************************** CC SEQRES AAYVVLNAIKK CC ATOM AAYVVLNAIKK CC *********** SQ SEQUENCE 361 AA; MW; CN; MDNTPKDQEI KKLVDQNFKP LLEKYDVPGM AVGVIQNNKK YEMYYGLQSV QDKKAVNSNT IFELGSVSKL FTATAGGYAK NKGKISFDDT PGKYWKELKN TPIDQVNLLQ LATYTSGNLA LQFPDEVQTD QQVLTFFKDW KPKNPIGEYR QYSNPSIGLF GKVVALSMNK PFDQVLEKTI FPALGLKHSY VNVPKTQMQN YAFGYNQENQ PIRVNPGPLD APAYGVKSTL PDMLSFIHAN LNPQKYPTDI QRAINETHQG RYQVNTMYQA LGWEEFSYPA TLQTLLDSNS EQIVMKPNKV TAISKEPSVK MYHKTGSTSG FGTYVVFIPK ENIGLVMLTN KRIPNEERIK AAYVVLNAIK K // ID 5W12C STANDARD; PRT; 361 AA. DT CONVERTED FROM PDB (SEQRES) 5W12 DE Beta-lactamase OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.204 FT #SUB 23 21 GLU C 187 185 LYS A Protein B 1 FT #SUB 24 22 LYS C 187 185 LYS A Protein B 1 FT #SUB 15 13 ASP C 216 214 PRO B Protein S 1 FT #SUB 19 17 LYS C 215 213 ASN B Protein S 3 FT #SUB 47 45 LEU C 210 208 GLN B Protein S 4 FT #SUB 47 45 LEU C 211 209 PRO B Protein S 2 FT #SUB 50 48 VAL C 210 208 GLN B Protein A 2 FT #SUB 53 51 LYS C 208 206 GLU B Protein S 4 FT #SUB 53 51 LYS C 209 207 ASN B Protein S 3 FT #SUB 53 51 LYS C 210 208 GLN B Protein A 6 FT #SUB 53 51 LYS C 211 209 PRO B Protein B 3 FT #SUB 54 52 LYS C 51 49 GLN B Protein B 2 FT #SUB 55 53 ALA C 51 49 GLN B Protein A 7 FT #SUB 55 53 ALA C 203 201 PHE B Protein S 2 FT #SUB 55 53 ALA C 211 209 PRO B Protein A 2 FT #SUB 57 55 ASN C 51 49 GLN B Protein S 1 FT #SUB 331 329 GLU C 82 80 LYS D Protein S 1 FT #SUB 361 359 LYS C 80 78 LYS D Protein B 1 FT #SUB 361 359 LYS C 82 80 LYS D Protein S 4 FT #SUB 361 359 LYS C 83 81 GLY D Protein A 4 FT #HET 66 64 SER C 3 401 9TG C A 14 FT #HET 69 67 LYS C 3 401 9TG C S 2 FT #HET 121 119 LEU C 3 401 9TG C S 1 FT #HET 122 120 GLN C 3 401 9TG C S 4 FT #HET 152 150 TYR C 3 401 9TG C S 4 FT #HET 154 152 ASN C 3 401 9TG C S 4 FT #HET 224 222 TYR C 3 401 9TG C S 4 FT #HET 316 314 GLY C 3 401 9TG C B 2 FT #HET 317 315 SER C 3 401 9TG C B 8 FT #HET 318 316 THR C 3 401 9TG C B 2 FT #HET 319 317 SER C 3 401 9TG C B 1 FT #HET 342 340 ARG C 3 401 9TG C S 2 FT #HET 345 343 ASN C 3 401 9TG C S 3 FT DISORDER 1 4 CC SEQUENCE 357 AA (ATOM); CC PKDQEIKKLV DQNFKPLLEK YDVPGMAVGV IQNNKKYEMY YGLQSVQDKK AVNSNTIFEL CC GSVSKLFTAT AGGYAKNKGK ISFDDTPGKY WKELKNTPID QVNLLQLATY TSGNLALQFP CC DEVQTDQQVL TFFKDWKPKN PIGEYRQYSN PSIGLFGKVV ALSMNKPFDQ VLEKTIFPAL CC GLKHSYVNVP KTQMQNYAFG YNQENQPIRV NPGPLDAPAY GVKSTLPDML SFIHANLNPQ CC KYPTDIQRAI NETHQGRYQV NTMYQALGWE EFSYPATLQT LLDSNSEQIV MKPNKVTAIS CC KEPSVKMYHK TGSTSGFGTY VVFIPKENIG LVMLTNKRIP NEERIKAAYV VLNAIKK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDNTPKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSV CC ATOM ----PKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSV CC ********************************************** CC SEQRES QDKKAVNSNTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKELKN CC ATOM QDKKAVNSNTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKELKN CC ************************************************** CC SEQRES TPIDQVNLLQLATYTSGNLALQFPDEVQTDQQVLTFFKDWKPKNPIGEYR CC ATOM TPIDQVNLLQLATYTSGNLALQFPDEVQTDQQVLTFFKDWKPKNPIGEYR CC ************************************************** CC SEQRES QYSNPSIGLFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQN CC ATOM QYSNPSIGLFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQN CC ************************************************** CC SEQRES YAFGYNQENQPIRVNPGPLDAPAYGVKSTLPDMLSFIHANLNPQKYPTDI CC ATOM YAFGYNQENQPIRVNPGPLDAPAYGVKSTLPDMLSFIHANLNPQKYPTDI CC ************************************************** CC SEQRES QRAINETHQGRYQVNTMYQALGWEEFSYPATLQTLLDSNSEQIVMKPNKV CC ATOM QRAINETHQGRYQVNTMYQALGWEEFSYPATLQTLLDSNSEQIVMKPNKV CC ************************************************** CC SEQRES TAISKEPSVKMYHKTGSTSGFGTYVVFIPKENIGLVMLTNKRIPNEERIK CC ATOM TAISKEPSVKMYHKTGSTSGFGTYVVFIPKENIGLVMLTNKRIPNEERIK CC ************************************************** CC SEQRES AAYVVLNAIKK CC ATOM AAYVVLNAIKK CC *********** SQ SEQUENCE 361 AA; MW; CN; MDNTPKDQEI KKLVDQNFKP LLEKYDVPGM AVGVIQNNKK YEMYYGLQSV QDKKAVNSNT IFELGSVSKL FTATAGGYAK NKGKISFDDT PGKYWKELKN TPIDQVNLLQ LATYTSGNLA LQFPDEVQTD QQVLTFFKDW KPKNPIGEYR QYSNPSIGLF GKVVALSMNK PFDQVLEKTI FPALGLKHSY VNVPKTQMQN YAFGYNQENQ PIRVNPGPLD APAYGVKSTL PDMLSFIHAN LNPQKYPTDI QRAINETHQG RYQVNTMYQA LGWEEFSYPA TLQTLLDSNS EQIVMKPNKV TAISKEPSVK MYHKTGSTSG FGTYVVFIPK ENIGLVMLTN KRIPNEERIK AAYVVLNAIK K // ID 5W12D STANDARD; PRT; 361 AA. DT CONVERTED FROM PDB (SEQRES) 5W12 DE Beta-lactamase OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.204 FT #SUB 80 78 LYS D 361 359 LYS C Protein B 1 FT #SUB 82 80 LYS D 331 329 GLU C Protein B 1 FT #SUB 82 80 LYS D 361 359 LYS C Protein B 4 FT #SUB 83 81 GLY D 361 359 LYS C Protein B 4 FT #HET 66 64 SER D 4 401 9TG D A 14 FT #HET 69 67 LYS D 4 401 9TG D S 1 FT #HET 121 119 LEU D 4 401 9TG D S 1 FT #HET 122 120 GLN D 4 401 9TG D S 3 FT #HET 152 150 TYR D 4 401 9TG D S 4 FT #HET 154 152 ASN D 4 401 9TG D S 3 FT #HET 224 222 TYR D 4 401 9TG D S 1 FT #HET 314 312 LYS D 4 401 9TG D S 1 FT #HET 316 314 GLY D 4 401 9TG D B 2 FT #HET 317 315 SER D 4 401 9TG D A 11 FT #HET 318 316 THR D 4 401 9TG D B 4 FT #HET 319 317 SER D 4 401 9TG D B 2 FT #HET 342 340 ARG D 4 401 9TG D S 3 FT #HET 345 343 ASN D 4 401 9TG D S 3 FT DISORDER 1 4 FT DISORDER 360 361 CC SEQUENCE 355 AA (ATOM); CC PKDQEIKKLV DQNFKPLLEK YDVPGMAVGV IQNNKKYEMY YGLQSVQDKK AVNSNTIFEL CC GSVSKLFTAT AGGYAKNKGK ISFDDTPGKY WKELKNTPID QVNLLQLATY TSGNLALQFP CC DEVQTDQQVL TFFKDWKPKN PIGEYRQYSN PSIGLFGKVV ALSMNKPFDQ VLEKTIFPAL CC GLKHSYVNVP KTQMQNYAFG YNQENQPIRV NPGPLDAPAY GVKSTLPDML SFIHANLNPQ CC KYPTDIQRAI NETHQGRYQV NTMYQALGWE EFSYPATLQT LLDSNSEQIV MKPNKVTAIS CC KEPSVKMYHK TGSTSGFGTY VVFIPKENIG LVMLTNKRIP NEERIKAAYV VLNAI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDNTPKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSV CC ATOM ----PKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSV CC ********************************************** CC SEQRES QDKKAVNSNTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKELKN CC ATOM QDKKAVNSNTIFELGSVSKLFTATAGGYAKNKGKISFDDTPGKYWKELKN CC ************************************************** CC SEQRES TPIDQVNLLQLATYTSGNLALQFPDEVQTDQQVLTFFKDWKPKNPIGEYR CC ATOM TPIDQVNLLQLATYTSGNLALQFPDEVQTDQQVLTFFKDWKPKNPIGEYR CC ************************************************** CC SEQRES QYSNPSIGLFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQN CC ATOM QYSNPSIGLFGKVVALSMNKPFDQVLEKTIFPALGLKHSYVNVPKTQMQN CC ************************************************** CC SEQRES YAFGYNQENQPIRVNPGPLDAPAYGVKSTLPDMLSFIHANLNPQKYPTDI CC ATOM YAFGYNQENQPIRVNPGPLDAPAYGVKSTLPDMLSFIHANLNPQKYPTDI CC ************************************************** CC SEQRES QRAINETHQGRYQVNTMYQALGWEEFSYPATLQTLLDSNSEQIVMKPNKV CC ATOM QRAINETHQGRYQVNTMYQALGWEEFSYPATLQTLLDSNSEQIVMKPNKV CC ************************************************** CC SEQRES TAISKEPSVKMYHKTGSTSGFGTYVVFIPKENIGLVMLTNKRIPNEERIK CC ATOM TAISKEPSVKMYHKTGSTSGFGTYVVFIPKENIGLVMLTNKRIPNEERIK CC ************************************************** CC SEQRES AAYVVLNAIKK CC ATOM AAYVVLNAI-- CC ********* SQ SEQUENCE 361 AA; MW; CN; MDNTPKDQEI KKLVDQNFKP LLEKYDVPGM AVGVIQNNKK YEMYYGLQSV QDKKAVNSNT IFELGSVSKL FTATAGGYAK NKGKISFDDT PGKYWKELKN TPIDQVNLLQ LATYTSGNLA LQFPDEVQTD QQVLTFFKDW KPKNPIGEYR QYSNPSIGLF GKVVALSMNK PFDQVLEKTI FPALGLKHSY VNVPKTQMQN YAFGYNQENQ PIRVNPGPLD APAYGVKSTL PDMLSFIHAN LNPQKYPTDI QRAINETHQG RYQVNTMYQA LGWEEFSYPA TLQTLLDSNS EQIVMKPNKV TAISKEPSVK MYHKTGSTSG FGTYVVFIPK ENIGLVMLTN KRIPNEERIK AAYVVLNAIK K //