ID 5W14A STANDARD; PRT; 361 AA. DT CONVERTED FROM PDB (SEQRES) 5W14 DE Beta-lactamase OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.205 FT #SUB 245 243 LYS A 124 122 PRO B Protein B 3 FT #SUB 245 243 LYS A 125 123 ASP B Protein A 6 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 #HET 66 64 SER A 1 401 9TJ A A 14 FT #HET 121 119 LEU A 1 401 9TJ A S 1 FT #HET 122 120 GLN A 1 401 9TJ A S 3 FT #HET 152 150 TYR A 1 401 9TJ A S 4 FT #HET 154 152 ASN A 1 401 9TJ A S 3 FT #HET 224 222 TYR A 1 401 9TJ A S 8 FT #HET 316 314 GLY A 1 401 9TJ A B 2 FT #HET 317 315 SER A 1 401 9TJ A A 9 FT #HET 318 316 THR A 1 401 9TJ A B 1 FT #HET 319 317 SER A 1 401 9TJ A A 9 FT #HET 342 340 ARG A 1 401 9TJ A S 10 FT DISORDER 1 5 CC SEQUENCE 356 AA (ATOM); CC KDQEIKKLVD QNFKPLLEKY DVPGMAVGVI QNNKKYEMYY GLQSVQDKKA VNSNTIFELG CC SVSKLFTATA GGYAKNKGKI SFDDTPGKYW KELKNTPIDQ VNLLQLATYT SGNLALQFPD CC EVQTDQQVLT FFKDWKPKNP IGEYRQYSNP SIGLFGKVVA LSMNKPFDQV LEKTIFPALG CC LKHSYVNVPK TQMQNYAFGY NQENQPIRVN PGPLDAPAYG VKSTLPDMLS FIHANLNPQK CC YPTDIQRAIN ETHQGRYQVN TMYQALGWEE FSYPATLQTL LDSNSEQIVM KPNKVTAISK CC EPSVKMYHKT GSTSGFGTYV VFIPKENIGL VMLTNKRIPN EERIKAAYVV LNAIKK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDNTPKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSV CC ATOM -----KDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSV 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 5W14B STANDARD; PRT; 361 AA. DT CONVERTED FROM PDB (SEQRES) 5W14 DE Beta-lactamase OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.205 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 6 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 53 51 LYS C Protein S 1 FT #SUB 51 49 GLN B 54 52 LYS C Protein S 4 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 3 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 3 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 9TJ B A 14 FT #HET 122 120 GLN B 2 401 9TJ B S 2 FT #HET 152 150 TYR B 2 401 9TJ B S 4 FT #HET 154 152 ASN B 2 401 9TJ B S 3 FT #HET 224 222 TYR B 2 401 9TJ B S 6 FT #HET 316 314 GLY B 2 401 9TJ B B 2 FT #HET 317 315 SER B 2 401 9TJ B A 8 FT #HET 319 317 SER B 2 401 9TJ B A 9 FT #HET 342 340 ARG B 2 401 9TJ B S 11 FT DISORDER 1 2 CC SEQUENCE 359 AA (ATOM); CC NTPKDQEIKK LVDQNFKPLL EKYDVPGMAV GVIQNNKKYE MYYGLQSVQD KKAVNSNTIF CC ELGSVSKLFT ATAGGYAKNK GKISFDDTPG KYWKELKNTP IDQVNLLQLA TYTSGNLALQ CC FPDEVQTDQQ VLTFFKDWKP KNPIGEYRQY SNPSIGLFGK VVALSMNKPF DQVLEKTIFP CC ALGLKHSYVN VPKTQMQNYA FGYNQENQPI RVNPGPLDAP AYGVKSTLPD MLSFIHANLN CC PQKYPTDIQR AINETHQGRY QVNTMYQALG WEEFSYPATL QTLLDSNSEQ IVMKPNKVTA CC ISKEPSVKMY HKTGSTSGFG TYVVFIPKEN IGLVMLTNKR IPNEERIKAA YVVLNAIKK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDNTPKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSV CC ATOM --NTPKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSV 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 5W14C STANDARD; PRT; 361 AA. DT CONVERTED FROM PDB (SEQRES) 5W14 DE Beta-lactamase OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.205 FT #SUB 23 21 GLU 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 3 FT #SUB 47 45 LEU C 211 209 PRO B Protein S 2 FT #SUB 53 51 LYS C 51 49 GLN B Protein B 1 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 211 209 PRO B Protein B 3 FT #SUB 54 52 LYS C 51 49 GLN B Protein A 4 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 3 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 82 80 LYS D Protein S 3 FT #SUB 361 359 LYS C 83 81 GLY D Protein A 4 FT #HET 66 64 SER C 3 401 9TJ C A 14 FT #HET 69 67 LYS C 3 401 9TJ C S 2 FT #HET 121 119 LEU C 3 401 9TJ C S 1 FT #HET 122 120 GLN C 3 401 9TJ C S 2 FT #HET 152 150 TYR C 3 401 9TJ C S 4 FT #HET 154 152 ASN C 3 401 9TJ C S 3 FT #HET 224 222 TYR C 3 401 9TJ C S 9 FT #HET 316 314 GLY C 3 401 9TJ C B 2 FT #HET 317 315 SER C 3 401 9TJ C A 8 FT #HET 319 317 SER C 3 401 9TJ C A 10 FT #HET 342 340 ARG C 3 401 9TJ C S 11 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 5W14D STANDARD; PRT; 361 AA. DT CONVERTED FROM PDB (SEQRES) 5W14 DE Beta-lactamase OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.205 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 3 FT #SUB 83 81 GLY D 361 359 LYS C Protein B 4 FT #HET 66 64 SER D 4 401 9TJ D A 14 FT #HET 122 120 GLN D 4 401 9TJ D S 2 FT #HET 152 150 TYR D 4 401 9TJ D S 4 FT #HET 154 152 ASN D 4 401 9TJ D S 3 FT #HET 224 222 TYR D 4 401 9TJ D S 9 FT #HET 316 314 GLY D 4 401 9TJ D B 2 FT #HET 317 315 SER D 4 401 9TJ D A 9 FT #HET 319 317 SER D 4 401 9TJ D A 8 FT #HET 342 340 ARG D 4 401 9TJ D S 12 FT DISORDER 1 6 FT DISORDER 308 308 FT DISORDER 360 361 CC SEQUENCE 352 AA (ATOM); CC DQEIKKLVDQ NFKPLLEKYD VPGMAVGVIQ NNKKYEMYYG LQSVQDKKAV NSNTIFELGS CC VSKLFTATAG GYAKNKGKIS FDDTPGKYWK ELKNTPIDQV NLLQLATYTS GNLALQFPDE CC VQTDQQVLTF FKDWKPKNPI GEYRQYSNPS IGLFGKVVAL SMNKPFDQVL EKTIFPALGL CC KHSYVNVPKT QMQNYAFGYN QENQPIRVNP GPLDAPAYGV KSTLPDMLSF IHANLNPQKY CC PTDIQRAINE THQGRYQVNT MYQALGWEEF SYPATLQTLL DSNSEQIVMK PNKVTAISKE CC PVKMYHKTGS TSGFGTYVVF IPKENIGLVM LTNKRIPNEE RIKAAYVVLN AI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDNTPKDQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSV CC ATOM ------DQEIKKLVDQNFKPLLEKYDVPGMAVGVIQNNKKYEMYYGLQSV 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 TAISKEP-VKMYHKTGSTSGFGTYVVFIPKENIGLVMLTNKRIPNEERIK 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 //