ID 4HKYA STANDARD; PRT; 243 AA. DT CONVERTED FROM PDB (SEQRES) 4HKY DE Beta-lactamase NDM-1 OS Klebsiella pneumoniae CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.207 FT #SUB 116 143 ALA A 136 163 PHE B Protein S 1 FT #SUB 116 143 ALA A 138 165 ALA B Protein B 1 FT #SUB 117 144 LEU A 157 184 TYR B Protein S 2 FT #SUB 119 146 ASN A 138 165 ALA B Protein S 1 FT #SUB 120 147 GLN A 138 165 ALA B Protein A 5 FT #SUB 120 147 GLN A 140 167 GLY B Protein S 1 FT #SUB 120 147 GLN A 157 184 TYR B Protein S 5 FT #SUB 120 147 GLN A 158 185 PRO B Protein S 2 FT #SUB 120 147 GLN A 159 186 GLY B Protein S 1 FT #SUB 121 148 LEU A 160 187 PRO B Protein S 1 FT #SUB 124 151 GLN A 201 228 HIS B Protein S 3 FT #SUB 124 151 GLN A 204 231 ALA B Protein S 3 FT #SUB 125 152 GLU A 200 227 GLU B Protein S 2 FT #SUB 125 152 GLU A 201 228 HIS B Protein S 4 FT #SUB 133 160 SER A 138 165 ALA B Protein S 1 FT #SUB 135 162 THR A 135 162 THR B Protein S 3 FT #SUB 136 163 PHE A 116 143 ALA B Protein B 1 FT #SUB 136 163 PHE A 135 162 THR B Protein B 1 FT #SUB 138 165 ALA A 116 143 ALA B Protein B 1 FT #SUB 138 165 ALA A 119 146 ASN B Protein S 1 FT #SUB 138 165 ALA A 120 147 GLN B Protein B 4 FT #SUB 138 165 ALA A 133 160 SER B Protein S 1 FT #SUB 140 167 GLY A 120 147 GLN B Protein B 2 FT #SUB 157 184 TYR A 117 144 LEU B Protein S 2 FT #SUB 157 184 TYR A 120 147 GLN B Protein A 6 FT #SUB 158 185 PRO A 120 147 GLN B Protein B 1 FT #SUB 159 186 GLY A 120 147 GLN B Protein B 1 FT #SUB 160 187 PRO A 164 191 SER B Protein S 1 FT #SUB 164 191 SER A 160 187 PRO B Protein S 1 FT #SUB 196 223 ASP A 200 227 GLU B Protein S 4 FT #SUB 200 227 GLU A 125 152 GLU B Protein S 1 FT #SUB 200 227 GLU A 196 223 ASP B Protein S 2 FT #SUB 201 228 HIS A 121 148 LEU B Protein S 1 FT #SUB 201 228 HIS A 124 151 GLN B Protein A 6 FT #SUB 201 228 HIS A 125 152 GLU B Protein S 4 FT #SUB 204 231 ALA A 124 151 GLN B Protein S 3 FT #HET 40 67 MET A 2 302 SFR A S 2 FT #HET 66 93 TRP A 1 301 FPM A S 6 FT #HET 66 93 TRP A 2 302 SFR A S 5 FT #HET 93 120 HIS A 3 303 CD A S 3 FT #HET 95 122 HIS A 1 301 FPM A S 1 FT #HET 95 122 HIS A 2 302 SFR A S 3 FT #HET 95 122 HIS A 3 303 CD A S 4 FT #HET 95 122 HIS A 5 305 CD A S 1 FT #HET 97 124 ASP A 1 301 FPM A S 5 FT #HET 97 124 ASP A 2 302 SFR A S 10 FT #HET 97 124 ASP A 3 303 CD A S 1 FT #HET 97 124 ASP A 4 304 CD A S 2 FT #HET 125 152 GLU A 5 305 CD A S 3 FT #HET 162 189 HIS A 1 301 FPM A S 5 FT #HET 162 189 HIS A 2 302 SFR A S 2 FT #HET 162 189 HIS A 3 303 CD A S 3 FT #HET 181 208 CYS A 1 301 FPM A S 2 FT #HET 181 208 CYS A 2 302 SFR A S 1 FT #HET 181 208 CYS A 3 303 CD A S 2 FT #HET 181 208 CYS A 4 304 CD A S 2 FT #HET 184 211 LYS A 1 301 FPM A S 4 FT #HET 184 211 LYS A 2 302 SFR A S 6 FT #HET 188 215 ALA A 7 307 CL A A 2 FT #HET 189 216 LYS A 7 307 CL A B 1 FT #HET 192 219 GLY A 1 301 FPM A B 1 FT #HET 192 219 GLY A 2 302 SFR A B 2 FT #HET 193 220 ASN A 1 301 FPM A A 3 FT #HET 193 220 ASN A 2 302 SFR A A 3 FT #HET 196 223 ASP A 5 305 CD A S 3 FT #HET 200 227 GLU A 14 307 CD B S 4 FT #HET 213 240 PHE A 6 306 CL A A 4 FT #HET 214 241 PRO A 6 306 CL A A 3 FT #HET 215 242 LYS A 6 306 CL A A 4 FT #HET 216 243 ALA A 6 306 CL A B 1 FT #HET 223 250 HIS A 1 301 FPM A S 7 FT #HET 223 250 HIS A 2 302 SFR A S 15 FT #HET 223 250 HIS A 4 304 CD A S 3 FT DISORDER 1 13 FT DISORDER 42 43 CC SEQUENCE 228 AA (ATOM); CC TGDQRFGDLV FRQLAPNVWQ HTSYLDMPGA VASNGLIVRD GGRVLVVDTA WTDDQTAQIL CC NWIKQEINLP VALAVVTHAH QDKMGGMDAL HAAGIATYAN ALSNQLAPQE GMVAAQHSLT CC FAANGWVEPA TAPNFGPLKV FYPGPGHTSD NITVGIDGTD IAFGGCLIKD SKAKSLGNLG CC DADTEHYAAS ARAFGAAFPK ASMIVMSHSA PDSRAAITHT ARMADKLR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNG CC ATOM -------------TGDQRFGDLVFRQLAPNVWQHTSYLDMP--GAVASNG CC **************************** ******* CC SEQRES LIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMG CC ATOM LIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMG CC ************************************************** CC SEQRES GMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNF CC ATOM GMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNF CC ************************************************** CC SEQRES GPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTE CC ATOM GPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTE CC ************************************************** CC SEQRES HYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR CC ATOM HYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR CC ******************************************* SQ SEQUENCE 243 AA; MW; CN; SNAIRPTIGQ QMETGDQRFG DLVFRQLAPN VWQHTSYLDM PGFGAVASNG LIVRDGGRVL VVDTAWTDDQ TAQILNWIKQ EINLPVALAV VTHAHQDKMG GMDALHAAGI ATYANALSNQ LAPQEGMVAA QHSLTFAANG WVEPATAPNF GPLKVFYPGP GHTSDNITVG IDGTDIAFGG CLIKDSKAKS LGNLGDADTE HYAASARAFG AAFPKASMIV MSHSAPDSRA AITHTARMAD KLR // ID 4HKYB STANDARD; PRT; 243 AA. DT CONVERTED FROM PDB (SEQRES) 4HKY DE Beta-lactamase NDM-1 OS Klebsiella pneumoniae CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.207 FT #SUB 116 143 ALA B 136 163 PHE A Protein S 1 FT #SUB 116 143 ALA B 138 165 ALA A Protein B 1 FT #SUB 117 144 LEU B 157 184 TYR A Protein S 2 FT #SUB 119 146 ASN B 138 165 ALA A Protein S 1 FT #SUB 120 147 GLN B 138 165 ALA A Protein A 4 FT #SUB 120 147 GLN B 140 167 GLY A Protein S 2 FT #SUB 120 147 GLN B 157 184 TYR A Protein S 6 FT #SUB 120 147 GLN B 158 185 PRO A Protein S 1 FT #SUB 120 147 GLN B 159 186 GLY A Protein S 1 FT #SUB 121 148 LEU B 201 228 HIS A Protein S 1 FT #SUB 124 151 GLN B 201 228 HIS A Protein S 6 FT #SUB 124 151 GLN B 204 231 ALA A Protein S 3 FT #SUB 125 152 GLU B 200 227 GLU A Protein S 1 FT #SUB 125 152 GLU B 201 228 HIS A Protein S 4 FT #SUB 133 160 SER B 138 165 ALA A Protein S 1 FT #SUB 135 162 THR B 135 162 THR A Protein S 3 FT #SUB 135 162 THR B 136 163 PHE A Protein S 1 FT #SUB 136 163 PHE B 116 143 ALA A Protein B 1 FT #SUB 138 165 ALA B 116 143 ALA A Protein B 1 FT #SUB 138 165 ALA B 119 146 ASN A Protein S 1 FT #SUB 138 165 ALA B 120 147 GLN A Protein B 5 FT #SUB 138 165 ALA B 133 160 SER A Protein S 1 FT #SUB 140 167 GLY B 120 147 GLN A Protein B 1 FT #SUB 157 184 TYR B 117 144 LEU A Protein S 2 FT #SUB 157 184 TYR B 120 147 GLN A Protein A 5 FT #SUB 158 185 PRO B 120 147 GLN A Protein B 2 FT #SUB 159 186 GLY B 120 147 GLN A Protein B 1 FT #SUB 160 187 PRO B 121 148 LEU A Protein S 1 FT #SUB 160 187 PRO B 164 191 SER A Protein S 1 FT #SUB 164 191 SER B 160 187 PRO A Protein S 1 FT #SUB 196 223 ASP B 200 227 GLU A Protein S 2 FT #SUB 200 227 GLU B 125 152 GLU A Protein S 2 FT #SUB 200 227 GLU B 196 223 ASP A Protein S 4 FT #SUB 201 228 HIS B 124 151 GLN A Protein S 3 FT #SUB 201 228 HIS B 125 152 GLU A Protein S 4 FT #SUB 204 231 ALA B 124 151 GLN A Protein S 3 FT #HET 5 32 ARG B 10 303 GOL B S 2 FT #HET 5 32 ARG B 11 304 GOL B S 3 FT #HET 18 45 ARG B 11 304 GOL B S 14 FT #HET 66 93 TRP B 9 302 FPM B S 6 FT #HET 93 120 HIS B 12 305 CD B S 3 FT #HET 95 122 HIS B 8 301 SFR B S 5 FT #HET 95 122 HIS B 9 302 FPM B S 2 FT #HET 95 122 HIS B 12 305 CD B S 4 FT #HET 96 123 GLN B 9 302 FPM B B 1 FT #HET 97 124 ASP B 8 301 SFR B S 4 FT #HET 97 124 ASP B 9 302 FPM B A 10 FT #HET 97 124 ASP B 12 305 CD B S 1 FT #HET 97 124 ASP B 13 306 CD B S 3 FT #HET 125 152 GLU B 14 307 CD B S 3 FT #HET 162 189 HIS B 8 301 SFR B S 2 FT #HET 162 189 HIS B 9 302 FPM B S 4 FT #HET 162 189 HIS B 12 305 CD B S 3 FT #HET 181 208 CYS B 9 302 FPM B S 2 FT #HET 181 208 CYS B 12 305 CD B S 2 FT #HET 181 208 CYS B 13 306 CD B S 2 FT #HET 184 211 LYS B 8 301 SFR B S 4 FT #HET 184 211 LYS B 9 302 FPM B S 3 FT #HET 189 216 LYS B 16 309 CL B A 2 FT #HET 191 218 LEU B 8 301 SFR B B 1 FT #HET 191 218 LEU B 9 302 FPM B B 1 FT #HET 192 219 GLY B 8 301 SFR B B 2 FT #HET 192 219 GLY B 9 302 FPM B B 2 FT #HET 193 220 ASN B 8 301 SFR B A 11 FT #HET 193 220 ASN B 9 302 FPM B A 9 FT #HET 196 223 ASP B 14 307 CD B S 3 FT #HET 200 227 GLU B 5 305 CD A S 3 FT #HET 213 240 PHE B 15 308 CL B A 4 FT #HET 214 241 PRO B 15 308 CL B A 2 FT #HET 215 242 LYS B 15 308 CL B A 3 FT #HET 216 243 ALA B 15 308 CL B B 1 FT #HET 223 250 HIS B 8 301 SFR B S 10 FT #HET 223 250 HIS B 9 302 FPM B S 8 FT #HET 223 250 HIS B 13 306 CD B S 3 FT DISORDER 1 2 CC SEQUENCE 241 AA (ATOM); CC AIRPTIGQQM ETGDQRFGDL VFRQLAPNVW QHTSYLDMPG FGAVASNGLI VRDGGRVLVV CC DTAWTDDQTA QILNWIKQEI NLPVALAVVT HAHQDKMGGM DALHAAGIAT YANALSNQLA CC PQEGMVAAQH SLTFAANGWV EPATAPNFGP LKVFYPGPGH TSDNITVGID GTDIAFGGCL CC IKDSKAKSLG NLGDADTEHY AASARAFGAA FPKASMIVMS HSAPDSRAAI THTARMADKL CC R CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNG CC ATOM --AIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNG CC ************************************************ CC SEQRES LIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMG CC ATOM LIVRDGGRVLVVDTAWTDDQTAQILNWIKQEINLPVALAVVTHAHQDKMG CC ************************************************** CC SEQRES GMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNF CC ATOM GMDALHAAGIATYANALSNQLAPQEGMVAAQHSLTFAANGWVEPATAPNF CC ************************************************** CC SEQRES GPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTE CC ATOM GPLKVFYPGPGHTSDNITVGIDGTDIAFGGCLIKDSKAKSLGNLGDADTE CC ************************************************** CC SEQRES HYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR CC ATOM HYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKLR CC ******************************************* SQ SEQUENCE 243 AA; MW; CN; SNAIRPTIGQ QMETGDQRFG DLVFRQLAPN VWQHTSYLDM PGFGAVASNG LIVRDGGRVL VVDTAWTDDQ TAQILNWIKQ EINLPVALAV VTHAHQDKMG GMDALHAAGI ATYANALSNQ LAPQEGMVAA QHSLTFAANG WVEPATAPNF GPLKVFYPGP GHTSDNITVG IDGTDIAFGG CLIKDSKAKS LGNLGDADTE HYAASARAFG AAFPKASMIV MSHSAPDSRA AITHTARMAD KLR //