ID 4RBSA STANDARD; PRT; 243 AA. DT CONVERTED FROM PDB (SEQRES) 4RBS DE Beta-lactamase NDM-1 OS Klebsiella pneumoniae CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.410 CC R-Factor 0.175 FT #SUB 40 67 MET A 43 70 PHE B Protein S 2 FT #SUB 42 69 GLY A 193 220 ASN B Protein B 9 FT #SUB 43 70 PHE A 40 67 MET B Protein S 2 FT #SUB 43 70 PHE A 43 70 PHE B Protein S 13 FT #SUB 43 70 PHE A 46 73 VAL B Protein S 1 FT #SUB 43 70 PHE A 192 219 GLY B Protein B 3 FT #SUB 43 70 PHE A 193 220 ASN B Protein B 3 FT #SUB 46 73 VAL A 43 70 PHE B Protein S 1 FT #SUB 189 216 LYS A 10 37 GLN B Protein B 1 FT #SUB 189 216 LYS A 11 38 GLN B Protein B 1 FT #SUB 189 216 LYS A 185 212 ASP B Protein S 2 FT #SUB 191 218 LEU A 10 37 GLN B Protein B 1 FT #SUB 192 219 GLY A 43 70 PHE B Protein B 2 FT #SUB 193 220 ASN A 42 69 GLY B Protein S 7 FT #SUB 193 220 ASN A 43 70 PHE B Protein A 4 FT #SUB 193 220 ASN A 44 71 GLY B Protein S 3 FT #SUB 194 221 LEU A 3 30 ALA B Protein B 2 FT #SUB 194 221 LEU A 7 34 THR B Protein S 1 FT #SUB 195 222 GLY A 2 29 ASN B Protein B 6 FT #SUB 195 222 GLY A 3 30 ALA B Protein B 1 FT #SUB 199 226 THR A 6 33 PRO B Protein S 1 FT #SUB 238 265 MET A 10 37 GLN B Protein B 1 FT #SUB 241 268 LYS A 9 36 GLY B Protein A 3 FT #SUB 241 268 LYS A 10 37 GLN B Protein S 3 FT #SUB 241 268 LYS A 12 39 MET B Protein S 1 FT #SUB 242 269 LEU A 6 33 PRO B Protein S 1 FT #SUB 242 269 LEU A 10 37 GLN B Protein S 1 FT #HET 42 69 GLY A 9 302 0RV B B 5 FT #HET 43 70 PHE A 9 302 0RV B S 4 FT #HET 66 93 TRP A 3 302 0RV A S 1 FT #HET 85 112 PRO A 4 303 ACY A A 3 FT #HET 86 113 VAL A 4 303 ACY A A 5 FT #HET 93 120 HIS A 1 300 ZN A S 3 FT #HET 93 120 HIS A 3 302 0RV A S 1 FT #HET 95 122 HIS A 1 300 ZN A S 4 FT #HET 95 122 HIS A 3 302 0RV A S 11 FT #HET 96 123 GLN A 3 302 0RV A B 1 FT #HET 97 124 ASP A 2 301 ZN A S 3 FT #HET 97 124 ASP A 3 302 0RV A A 9 FT #HET 108 135 ALA A 4 303 ACY A B 1 FT #HET 139 166 ASN A 5 304 GOL A A 2 FT #HET 141 168 TRP A 5 304 GOL A S 4 FT #HET 156 183 PHE A 5 304 GOL A S 2 FT #HET 162 189 HIS A 1 300 ZN A S 3 FT #HET 162 189 HIS A 3 302 0RV A S 10 FT #HET 181 208 CYS A 1 300 ZN A S 1 FT #HET 181 208 CYS A 2 301 ZN A S 2 FT #HET 181 208 CYS A 3 302 0RV A S 1 FT #HET 184 211 LYS A 3 302 0RV A S 4 FT #HET 192 219 GLY A 3 302 0RV A B 2 FT #HET 193 220 ASN A 3 302 0RV A A 6 FT #HET 208 235 ALA A 5 304 GOL A B 4 FT #HET 210 237 GLY A 6 305 GOL A B 2 FT #HET 211 238 ALA A 5 304 GOL A A 5 FT #HET 212 239 ALA A 5 304 GOL A A 4 FT #HET 223 250 HIS A 2 301 ZN A S 3 FT #HET 223 250 HIS A 3 302 0RV A S 15 FT #HET 229 256 ARG A 6 305 GOL A A 6 FT #HET 232 259 ILE A 6 305 GOL A S 3 FT #HET 233 260 THR A 6 305 GOL A A 2 FT DISORDER 1 12 CC SEQUENCE 231 AA (ATOM); CC ETGDQRFGDL VFRQLAPNVW QHTSYLDMPG FGAVASNGLI VRDGGRVLVV DTAWTDDQTA CC QILNWIKQEI NLPVALAVVT HAHQDKMGGM DALHAAGIAT YANALSNQLA PQEGMVAAQH CC SLTFAANGWV EPATAPNFGP LKVFYPGPGH TSDNITVGID GTDIAFGGCL IKDSKAKSLG CC NLGDADTEHY AASARAFGAA FPKASMIVMS HSAPDSRAAI THTARMADKL R CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNG CC ATOM ------------ETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNG 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 4RBSB STANDARD; PRT; 243 AA. DT CONVERTED FROM PDB (SEQRES) 4RBS DE Beta-lactamase NDM-1 OS Klebsiella pneumoniae CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.410 CC R-Factor 0.175 FT #SUB 2 29 ASN B 195 222 GLY A Protein S 6 FT #SUB 3 30 ALA B 194 221 LEU A Protein S 2 FT #SUB 3 30 ALA B 195 222 GLY A Protein S 1 FT #SUB 6 33 PRO B 199 226 THR A Protein S 1 FT #SUB 6 33 PRO B 242 269 LEU A Protein B 1 FT #SUB 7 34 THR B 194 221 LEU A Protein S 1 FT #SUB 9 36 GLY B 241 268 LYS A Protein B 3 FT #SUB 10 37 GLN B 189 216 LYS A Protein S 1 FT #SUB 10 37 GLN B 191 218 LEU A Protein S 1 FT #SUB 10 37 GLN B 238 265 MET A Protein S 1 FT #SUB 10 37 GLN B 241 268 LYS A Protein B 3 FT #SUB 10 37 GLN B 242 269 LEU A Protein S 1 FT #SUB 11 38 GLN B 189 216 LYS A Protein S 1 FT #SUB 12 39 MET B 241 268 LYS A Protein B 1 FT #SUB 40 67 MET B 43 70 PHE A Protein S 2 FT #SUB 42 69 GLY B 193 220 ASN A Protein B 7 FT #SUB 43 70 PHE B 40 67 MET A Protein S 2 FT #SUB 43 70 PHE B 43 70 PHE A Protein S 13 FT #SUB 43 70 PHE B 46 73 VAL A Protein S 1 FT #SUB 43 70 PHE B 192 219 GLY A Protein B 2 FT #SUB 43 70 PHE B 193 220 ASN A Protein B 4 FT #SUB 44 71 GLY B 193 220 ASN A Protein B 3 FT #SUB 46 73 VAL B 43 70 PHE A Protein S 1 FT #SUB 185 212 ASP B 189 216 LYS A Protein S 2 FT #SUB 192 219 GLY B 43 70 PHE A Protein B 3 FT #SUB 193 220 ASN B 42 69 GLY A Protein A 9 FT #SUB 193 220 ASN B 43 70 PHE A Protein A 3 FT #HET 30 57 ASN B 13 306 ACY B S 4 FT #HET 42 69 GLY B 3 302 0RV A B 6 FT #HET 43 70 PHE B 3 302 0RV A S 4 FT #HET 53 80 VAL B 13 306 ACY B S 1 FT #HET 54 81 ARG B 13 306 ACY B B 1 FT #HET 58 85 ARG B 10 303 ACY B S 5 FT #HET 85 112 PRO B 11 304 ACY B A 3 FT #HET 86 113 VAL B 11 304 ACY B A 7 FT #HET 87 114 ALA B 10 303 ACY B S 2 FT #HET 93 120 HIS B 7 300 ZN B S 3 FT #HET 95 122 HIS B 7 300 ZN B S 4 FT #HET 95 122 HIS B 9 302 0RV B S 10 FT #HET 96 123 GLN B 9 302 0RV B B 1 FT #HET 97 124 ASP B 8 301 ZN B S 3 FT #HET 97 124 ASP B 9 302 0RV B A 11 FT #HET 108 135 ALA B 11 304 ACY B B 1 FT #HET 139 166 ASN B 12 305 GOL B B 1 FT #HET 141 168 TRP B 12 305 GOL B S 4 FT #HET 149 176 ASN B 10 303 ACY B S 5 FT #HET 156 183 PHE B 12 305 GOL B S 2 FT #HET 162 189 HIS B 7 300 ZN B S 3 FT #HET 162 189 HIS B 9 302 0RV B S 8 FT #HET 171 198 ILE B 13 306 ACY B S 1 FT #HET 172 199 ASP B 13 306 ACY B B 1 FT #HET 174 201 THR B 13 306 ACY B S 1 FT #HET 181 208 CYS B 7 300 ZN B S 2 FT #HET 181 208 CYS B 8 301 ZN B S 2 FT #HET 181 208 CYS B 9 302 0RV B A 3 FT #HET 184 211 LYS B 9 302 0RV B S 5 FT #HET 192 219 GLY B 9 302 0RV B B 2 FT #HET 193 220 ASN B 9 302 0RV B A 5 FT #HET 208 235 ALA B 12 305 GOL B A 5 FT #HET 211 238 ALA B 12 305 GOL B A 4 FT #HET 212 239 ALA B 12 305 GOL B B 3 FT #HET 223 250 HIS B 8 301 ZN B S 3 FT #HET 223 250 HIS B 9 302 0RV B S 22 FT DISORDER 1 1 FT DISORDER 243 243 CC SEQUENCE 241 AA (ATOM); CC NAIRPTIGQQ METGDQRFGD LVFRQLAPNV WQHTSYLDMP GFGAVASNGL IVRDGGRVLV CC VDTAWTDDQT AQILNWIKQE INLPVALAVV THAHQDKMGG MDALHAAGIA TYANALSNQL CC APQEGMVAAQ HSLTFAANGW VEPATAPNFG PLKVFYPGPG HTSDNITVGI DGTDIAFGGC CC LIKDSKAKSL GNLGDADTEH YAASARAFGA AFPKASMIVM SHSAPDSRAA ITHTARMADK CC L CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNG CC ATOM -NAIRPTIGQQMETGDQRFGDLVFRQLAPNVWQHTSYLDMPGFGAVASNG 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 HYAASARAFGAAFPKASMIVMSHSAPDSRAAITHTARMADKL- 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 //