ID 4K1WA STANDARD; PRT; 418 AA. DT CONVERTED FROM PDB (SEQRES) 4K1W DE Mandelate racemase/muconate lactonizing enzyme, N-terminal domain protein OS Novosphingobium aromaticivorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.650 CC R-Factor 0.158 FT #SUB 52 36 LEU A 92 76 TRP B Protein S 6 FT #SUB 53 37 ASN A 92 76 TRP B Protein B 4 FT #SUB 54 38 GLY A 66 50 HIS B Protein B 5 FT #SUB 55 39 ARG A 62 46 TYR B Protein S 11 FT #SUB 55 39 ARG A 66 50 HIS B Protein A 11 FT #SUB 55 39 ARG A 90 74 ALA B Protein S 1 FT #SUB 56 40 GLU A 66 50 HIS B Protein A 3 FT #SUB 57 41 LEU A 61 45 ALA B Protein B 2 FT #SUB 57 41 LEU A 65 49 GLU B Protein S 2 FT #SUB 57 41 LEU A 66 50 HIS B Protein A 4 FT #SUB 58 42 SER A 58 42 SER B Protein A 4 FT #SUB 58 42 SER A 61 45 ALA B Protein B 2 FT #SUB 58 42 SER A 62 46 TYR B Protein S 5 FT #SUB 61 45 ALA A 57 41 LEU B Protein S 2 FT #SUB 61 45 ALA A 58 42 SER B Protein S 1 FT #SUB 61 45 ALA A 61 45 ALA B Protein S 1 FT #SUB 62 46 TYR A 55 39 ARG B Protein S 11 FT #SUB 62 46 TYR A 58 42 SER B Protein A 5 FT #SUB 65 49 GLU A 57 41 LEU B Protein S 4 FT #SUB 65 49 GLU A 404 388 TYR B Protein B 1 FT #SUB 66 50 HIS A 54 38 GLY B Protein S 5 FT #SUB 66 50 HIS A 55 39 ARG B Protein S 14 FT #SUB 66 50 HIS A 56 40 GLU B Protein S 3 FT #SUB 66 50 HIS A 57 41 LEU B Protein S 5 FT #SUB 66 50 HIS A 58 42 SER B Protein S 1 FT #SUB 66 50 HIS A 400 384 TYR B Protein S 1 FT #SUB 66 50 HIS A 404 388 TYR B Protein B 6 FT #SUB 69 53 PRO A 191 175 LEU B Protein B 1 FT #SUB 69 53 PRO A 404 388 TYR B Protein S 2 FT #SUB 70 54 CYS A 192 176 PRO B Protein S 2 FT #SUB 70 54 CYS A 404 388 TYR B Protein S 4 FT #SUB 81 65 ASP A 409 393 ARG B Protein S 8 FT #SUB 84 68 GLN A 415 399 MET B Protein A 4 FT #SUB 85 69 TYR A 192 176 PRO B Protein S 3 FT #SUB 85 69 TYR A 415 399 MET B Protein A 6 FT #SUB 87 71 TYR A 258 242 GLU B Protein S 5 FT #SUB 88 72 ARG A 415 399 MET B Protein S 5 FT #SUB 88 72 ARG A 416 400 TRP B Protein S 5 FT #SUB 88 72 ARG A 417 401 ASN B Protein S 5 FT #SUB 89 73 GLY A 407 391 VAL B Protein B 1 FT #SUB 90 74 ALA A 55 39 ARG B Protein B 1 FT #SUB 91 75 TYR A 228 212 HIS B Protein S 3 FT #SUB 91 75 TYR A 229 213 HIS B Protein S 5 FT #SUB 91 75 TYR A 278 262 GLU B Protein S 4 FT #SUB 91 75 TYR A 279 263 ILE B Protein A 5 FT #SUB 91 75 TYR A 405 389 LEU B Protein S 3 FT #SUB 91 75 TYR A 418 402 TRP B Protein S 5 FT #SUB 92 76 TRP A 52 36 LEU B Protein S 6 FT #SUB 92 76 TRP A 53 37 ASN B Protein S 4 FT #SUB 92 76 TRP A 96 80 PRO B Protein A 4 FT #SUB 92 76 TRP A 100 84 ARG B Protein S 5 FT #SUB 92 76 TRP A 278 262 GLU B Protein S 1 FT #SUB 92 76 TRP A 279 263 ILE B Protein S 2 FT #SUB 92 76 TRP A 332 316 ASP B Protein S 1 FT #SUB 93 77 ARG A 96 80 PRO B Protein B 2 FT #SUB 93 77 ARG A 258 242 GLU B Protein S 6 FT #SUB 93 77 ARG A 417 401 ASN B Protein S 6 FT #SUB 94 78 ARG A 94 78 ARG B Protein S 1 FT #SUB 94 78 ARG A 96 80 PRO B Protein B 3 FT #SUB 94 78 ARG A 258 242 GLU B Protein S 2 FT #SUB 94 78 ARG A 285 269 ASP B Protein S 1 FT #SUB 95 79 GLY A 95 79 GLY B Protein B 1 FT #SUB 95 79 GLY A 96 80 PRO B Protein B 1 FT #SUB 96 80 PRO A 92 76 TRP B Protein S 4 FT #SUB 96 80 PRO A 93 77 ARG B Protein S 2 FT #SUB 96 80 PRO A 94 78 ARG B Protein S 3 FT #SUB 96 80 PRO A 95 79 GLY B Protein S 1 FT #SUB 96 80 PRO A 98 82 THR B Protein S 1 FT #SUB 97 81 VAL A 97 81 VAL B Protein S 4 FT #SUB 100 84 ARG A 92 76 TRP B Protein S 5 FT #SUB 191 175 LEU A 69 53 PRO B Protein S 1 FT #SUB 192 176 PRO A 70 54 CYS B Protein S 2 FT #SUB 192 176 PRO A 85 69 TYR B Protein S 3 FT #SUB 228 212 HIS A 91 75 TYR B Protein S 4 FT #SUB 229 213 HIS A 91 75 TYR B Protein S 5 FT #SUB 258 242 GLU A 87 71 TYR B Protein S 5 FT #SUB 258 242 GLU A 93 77 ARG B Protein S 5 FT #SUB 258 242 GLU A 94 78 ARG B Protein A 2 FT #SUB 258 242 GLU A 284 268 TRP B Protein A 10 FT #SUB 259 243 ASN A 284 268 TRP B Protein A 5 FT #SUB 259 243 ASN A 287 271 LYS B Protein S 5 FT #SUB 261 245 GLU A 287 271 LYS B Protein S 3 FT #SUB 278 262 GLU A 91 75 TYR B Protein S 4 FT #SUB 278 262 GLU A 92 76 TRP B Protein B 1 FT #SUB 279 263 ILE A 91 75 TYR B Protein S 5 FT #SUB 279 263 ILE A 92 76 TRP B Protein A 4 FT #SUB 284 268 TRP A 258 242 GLU B Protein S 9 FT #SUB 284 268 TRP A 259 243 ASN B Protein S 3 FT #SUB 285 269 ASP A 94 78 ARG B Protein S 1 FT #SUB 287 271 LYS A 259 243 ASN B Protein S 5 FT #SUB 287 271 LYS A 261 245 GLU B Protein S 4 FT #SUB 332 316 ASP A 92 76 TRP B Protein S 1 FT #SUB 400 384 TYR A 66 50 HIS B Protein S 1 FT #SUB 404 388 TYR A 65 49 GLU B Protein S 1 FT #SUB 404 388 TYR A 66 50 HIS B Protein S 6 FT #SUB 404 388 TYR A 69 53 PRO B Protein S 2 FT #SUB 404 388 TYR A 70 54 CYS B Protein S 4 FT #SUB 405 389 LEU A 91 75 TYR B Protein S 3 FT #SUB 407 391 VAL A 89 73 GLY B Protein S 1 FT #SUB 409 393 ARG A 81 65 ASP B Protein S 8 FT #SUB 415 399 MET A 84 68 GLN B Protein S 4 FT #SUB 415 399 MET A 85 69 TYR B Protein S 6 FT #SUB 415 399 MET A 88 72 ARG B Protein B 5 FT #SUB 416 400 TRP A 88 72 ARG B Protein A 5 FT #SUB 417 401 ASN A 88 72 ARG B Protein S 5 FT #SUB 417 401 ASN A 93 77 ARG B Protein A 6 FT #SUB 418 402 TRP A 91 75 TYR B Protein A 5 FT #SUB 129 113 SER A 413 397 GLY C Protein B 2 FT #SUB 129 113 SER A 414 398 THR C Protein B 2 FT #SUB 130 114 ARG A 412 396 ASP C Protein A 8 FT #SUB 130 114 ARG A 414 398 THR C Protein S 5 FT #SUB 131 115 ASP A 412 396 ASP C Protein A 2 FT #SUB 132 116 GLY A 412 396 ASP C Protein B 1 FT #SUB 219 203 PHE A 200 184 ARG C Protein B 1 FT #SUB 219 203 PHE A 204 188 ASN C Protein A 6 FT #SUB 222 206 HIS A 200 184 ARG C Protein S 1 FT #SUB 244 228 GLU A 241 225 LYS C Protein S 1 FT #SUB 247 231 GLN A 200 184 ARG C Protein A 9 FT #SUB 247 231 GLN A 238 222 ASN C Protein S 8 FT #SUB 247 231 GLN A 242 226 MET C Protein S 1 FT #SUB 267 251 ARG A 234 218 GLN C Protein S 1 FT #SUB 267 251 ARG A 265 249 LEU C Protein S 5 FT #SUB 267 251 ARG A 269 253 HIS C Protein B 4 FT #SUB 268 252 GLN A 268 252 GLN C Protein A 3 FT #SUB 268 252 GLN A 269 253 HIS C Protein B 3 FT #SUB 269 253 HIS A 269 253 HIS C Protein B 1 FT #SUB 270 254 THR A 269 253 HIS C Protein B 4 FT #SUB 271 255 VAL A 234 218 GLN C Protein B 3 FT #SUB 271 255 VAL A 237 221 ALA C Protein S 1 FT #SUB 271 255 VAL A 241 225 LYS C Protein S 1 FT #SUB 271 255 VAL A 269 253 HIS C Protein S 3 FT #SUB 273 257 PRO A 234 218 GLN C Protein S 5 FT #SUB 292 276 ASN A 264 248 ARG C Protein B 3 FT #SUB 293 277 GLN A 233 217 PRO C Protein S 1 FT #SUB 293 277 GLN A 261 245 GLU C Protein S 4 FT #SUB 293 277 GLN A 264 248 ARG C Protein S 2 FT #SUB 293 277 GLN A 265 249 LEU C Protein B 2 FT #SUB 296 280 ASP A 234 218 GLN C Protein S 7 FT #SUB 320 304 LEU A 259 243 ASN C Protein B 4 FT #SUB 321 305 TYR A 259 243 ASN C Protein S 3 FT #SUB 321 305 TYR A 261 245 GLU C Protein S 4 FT #SUB 322 306 GLN A 231 215 TYR C Protein S 1 FT #SUB 322 306 GLN A 232 216 THR C Protein A 2 FT #SUB 322 306 GLN A 233 217 PRO C Protein S 4 FT #SUB 322 306 GLN A 255 239 THR C Protein S 3 FT #SUB 322 306 GLN A 256 240 PRO C Protein S 4 FT #SUB 322 306 GLN A 262 246 ALA C Protein S 1 FT #SUB 324 308 ARG A 232 216 THR C Protein S 2 FT #SUB 324 308 ARG A 235 219 GLU C Protein S 4 FT #SUB 349 333 PRO A 414 398 THR C Protein B 1 FT #SUB 10 -6 LEU A 117 101 ALA D Protein S 1 FT #SUB 10 -6 LEU A 118 102 GLY D Protein S 2 FT #SUB 13 -3 ARG A 382 366 GLU D Protein S 1 FT #SUB 13 -3 ARG A 383 367 THR D Protein S 3 FT #SUB 77 61 ARG A 123 107 GLN D Protein A 4 FT #SUB 77 61 ARG A 127 111 GLY D Protein B 1 FT #SUB 78 62 ARG A 128 112 ARG D Protein S 5 FT #SUB 78 62 ARG A 129 113 SER D Protein S 2 FT #SUB 79 63 ILE A 126 110 GLY D Protein A 4 FT #SUB 80 64 GLU A 126 110 GLY D Protein A 3 FT #SUB 80 64 GLU A 129 113 SER D Protein S 1 FT #SUB 80 64 GLU A 347 331 TRP D Protein S 8 FT #SUB 80 64 GLU A 349 333 PRO D Protein S 1 FT #SUB 81 65 ASP A 128 112 ARG D Protein S 1 FT #SUB 84 68 GLN A 349 333 PRO D Protein S 1 FT #SUB 110 94 TRP A 124 108 LEU D Protein S 1 FT #SUB 113 97 LYS A 119 103 MET D Protein B 1 FT #SUB 113 97 LYS A 123 107 GLN D Protein S 8 FT #SUB 116 100 MET A 119 103 MET D Protein A 2 FT #SUB 117 101 ALA A 117 101 ALA D Protein A 3 FT #SUB 117 101 ALA A 119 103 MET D Protein A 3 FT #SUB 119 103 MET A 113 97 LYS D Protein S 1 FT #SUB 119 103 MET A 116 100 MET D Protein S 2 FT #SUB 119 103 MET A 117 101 ALA D Protein S 3 FT #SUB 123 107 GLN A 77 61 ARG D Protein S 7 FT #SUB 123 107 GLN A 113 97 LYS D Protein A 8 FT #SUB 124 108 LEU A 110 94 TRP D Protein B 1 FT #SUB 126 110 GLY A 77 61 ARG D Protein B 1 FT #SUB 126 110 GLY A 78 62 ARG D Protein B 1 FT #SUB 126 110 GLY A 79 63 ILE D Protein B 4 FT #SUB 126 110 GLY A 80 64 GLU D Protein B 3 FT #SUB 127 111 GLY A 77 61 ARG D Protein B 1 FT #SUB 128 112 ARG A 78 62 ARG D Protein A 9 FT #SUB 128 112 ARG A 81 65 ASP D Protein B 1 FT #SUB 129 113 SER A 78 62 ARG D Protein B 2 FT #SUB 129 113 SER A 80 64 GLU D Protein S 2 FT #SUB 283 267 ILE A 320 304 LEU D Protein S 2 FT #SUB 284 268 TRP A 320 304 LEU D Protein S 5 FT #SUB 287 271 LYS A 321 305 TYR D Protein S 1 FT #SUB 291 275 GLN A 291 275 GLN D Protein S 5 FT #SUB 291 275 GLN A 321 305 TYR D Protein S 4 FT #SUB 312 296 ARG A 312 296 ARG D Protein S 12 FT #SUB 313 297 ARG A 319 303 SER D Protein S 2 FT #SUB 313 297 ARG A 320 304 LEU D Protein S 1 FT #SUB 317 301 LEU A 317 301 LEU D Protein S 1 FT #SUB 317 301 LEU A 320 304 LEU D Protein S 2 FT #SUB 319 303 SER A 313 297 ARG D Protein S 2 FT #SUB 320 304 LEU A 283 267 ILE D Protein S 2 FT #SUB 320 304 LEU A 284 268 TRP D Protein A 7 FT #SUB 320 304 LEU A 291 275 GLN D Protein S 1 FT #SUB 321 305 TYR A 287 271 LYS D Protein S 1 FT #SUB 321 305 TYR A 291 275 GLN D Protein S 4 FT #SUB 347 331 TRP A 80 64 GLU D Protein S 9 FT #SUB 349 333 PRO A 80 64 GLU D Protein S 3 FT #SUB 349 333 PRO A 84 68 GLN D Protein S 2 FT #HET 53 37 ASN A 2 502 CS2 A S 4 FT #HET 91 75 TYR A 8 502 CS2 B S 2 FT #HET 92 76 TRP A 8 502 CS2 B S 1 FT #HET 94 78 ARG A 4 504 CO2 A B 1 FT #HET 95 79 GLY A 4 504 CO2 A B 5 FT #HET 96 80 PRO A 4 504 CO2 A A 4 FT #HET 97 81 VAL A 4 504 CO2 A A 10 FT #HET 98 82 THR A 4 504 CO2 A A 6 FT #HET 138 122 HIS A 2 502 CS2 A S 2 FT #HET 163 147 ARG A 2 502 CS2 A S 3 FT #HET 197 181 TRP A 6 506 PDO A S 4 FT #HET 203 187 LEU A 3 503 PGE A B 1 FT #HET 204 188 ASN A 3 503 PGE A B 1 FT #HET 206 190 VAL A 6 506 PDO A S 1 FT #HET 207 191 PRO A 3 503 PGE A S 3 FT #HET 208 192 LYS A 3 503 PGE A S 10 FT #HET 211 195 GLU A 3 503 PGE A S 2 FT #HET 219 203 PHE A 14 503 PGE C S 5 FT #HET 225 209 HIS A 6 506 PDO A S 5 FT #HET 226 210 ASP A 1 501 MG A S 3 FT #HET 226 210 ASP A 2 502 CS2 A S 4 FT #HET 226 210 ASP A 6 506 PDO A B 1 FT #HET 227 211 GLY A 6 506 PDO A B 1 FT #HET 228 212 HIS A 1 501 MG A S 1 FT #HET 228 212 HIS A 2 502 CS2 A S 5 FT #HET 230 214 ARG A 6 506 PDO A S 2 FT #HET 231 215 TYR A 6 506 PDO A S 4 FT #HET 242 226 MET A 3 503 PGE A S 2 FT #HET 244 228 GLU A 5 505 CO2 A B 2 FT #HET 245 229 PRO A 5 505 CO2 A B 4 FT #HET 246 230 TYR A 3 503 PGE A S 2 FT #HET 247 231 GLN A 5 505 CO2 A S 5 FT #HET 252 236 GLU A 1 501 MG A S 3 FT #HET 252 236 GLU A 2 502 CS2 A S 2 FT #HET 278 262 GLU A 1 501 MG A S 3 FT #HET 278 262 GLU A 2 502 CS2 A S 9 FT #HET 299 283 ARG A 1 501 MG A S 1 FT #HET 299 283 ARG A 2 502 CS2 A S 1 FT #HET 328 312 HIS A 2 502 CS2 A S 7 FT #HET 330 314 PRO A 2 502 CS2 A S 3 FT #HET 332 316 ASP A 2 502 CS2 A S 7 FT #HET 355 339 GLU A 2 502 CS2 A S 8 FT #HET 405 389 LEU A 2 502 CS2 A S 4 FT #HET 418 402 TRP A 2 502 CS2 A S 2 FT DISORDER 1 6 FT DISORDER 173 189 CC SEQUENCE 395 AA (ATOM); CC SSGLVPRGSH MKITAARVII TCPGRNFVTL KIETDQGVYG IGDATLNGRE LSVVAYLQEH CC VAPCLIGMDP RRIEDIWQYV YRGAYWRRGP VTMRAIAAVD MALWDIKAKM AGMPLYQLLG CC GRSRDGIMVY GHANGSDIAE TVEAVGHYID MGYKAIRAQT GVPGIKSLPS VTGWDTRKAL CC NYVPKLFEEL RKTYGFDHHL LHDGHHRYTP QEAANLGKML EPYQLFWLED CTPAENQEAF CC RLVRQHTVTP LAVGEIFNTI WDAKDLIQNQ LIDYIRATVV GAGGLTHLRR IADLASLYQV CC RTGCHGPTDL SPVTMGCALH FDTWVPNFGI QEYMRHTEET DAVFPHDYWF EKGELFVGET CC PGHGVDIDEE LAAKYPYKPA YLPVARLEDG TMWNW CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HHHHHHSSGLVPRGSHMKITAARVIITCPGRNFVTLKIETDQGVYGIGDA CC ATOM ------SSGLVPRGSHMKITAARVIITCPGRNFVTLKIETDQGVYGIGDA CC ******************************************** CC SEQRES TLNGRELSVVAYLQEHVAPCLIGMDPRRIEDIWQYVYRGAYWRRGPVTMR CC ATOM TLNGRELSVVAYLQEHVAPCLIGMDPRRIEDIWQYVYRGAYWRRGPVTMR CC ************************************************** CC SEQRES AIAAVDMALWDIKAKMAGMPLYQLLGGRSRDGIMVYGHANGSDIAETVEA CC ATOM AIAAVDMALWDIKAKMAGMPLYQLLGGRSRDGIMVYGHANGSDIAETVEA CC ************************************************** CC SEQRES VGHYIDMGYKAIRAQTGVPGIKDAYGVGRGKLYYEPADASLPSVTGWDTR CC ATOM VGHYIDMGYKAIRAQTGVPGIK-----------------SLPSVTGWDTR CC ********************** *********** CC SEQRES KALNYVPKLFEELRKTYGFDHHLLHDGHHRYTPQEAANLGKMLEPYQLFW CC ATOM KALNYVPKLFEELRKTYGFDHHLLHDGHHRYTPQEAANLGKMLEPYQLFW CC ************************************************** CC SEQRES LEDCTPAENQEAFRLVRQHTVTPLAVGEIFNTIWDAKDLIQNQLIDYIRA CC ATOM LEDCTPAENQEAFRLVRQHTVTPLAVGEIFNTIWDAKDLIQNQLIDYIRA CC ************************************************** CC SEQRES TVVGAGGLTHLRRIADLASLYQVRTGCHGPTDLSPVTMGCALHFDTWVPN CC ATOM TVVGAGGLTHLRRIADLASLYQVRTGCHGPTDLSPVTMGCALHFDTWVPN CC ************************************************** CC SEQRES FGIQEYMRHTEETDAVFPHDYWFEKGELFVGETPGHGVDIDEELAAKYPY CC ATOM FGIQEYMRHTEETDAVFPHDYWFEKGELFVGETPGHGVDIDEELAAKYPY CC ************************************************** CC SEQRES KPAYLPVARLEDGTMWNW CC ATOM KPAYLPVARLEDGTMWNW CC ****************** SQ SEQUENCE 418 AA; MW; CN; HHHHHHSSGL VPRGSHMKIT AARVIITCPG RNFVTLKIET DQGVYGIGDA TLNGRELSVV AYLQEHVAPC LIGMDPRRIE DIWQYVYRGA YWRRGPVTMR AIAAVDMALW DIKAKMAGMP LYQLLGGRSR DGIMVYGHAN GSDIAETVEA VGHYIDMGYK AIRAQTGVPG IKDAYGVGRG KLYYEPADAS LPSVTGWDTR KALNYVPKLF EELRKTYGFD HHLLHDGHHR YTPQEAANLG KMLEPYQLFW LEDCTPAENQ EAFRLVRQHT VTPLAVGEIF NTIWDAKDLI QNQLIDYIRA TVVGAGGLTH LRRIADLASL YQVRTGCHGP TDLSPVTMGC ALHFDTWVPN FGIQEYMRHT EETDAVFPHD YWFEKGELFV GETPGHGVDI DEELAAKYPY KPAYLPVARL EDGTMWNW // ID 4K1WB STANDARD; PRT; 418 AA. DT CONVERTED FROM PDB (SEQRES) 4K1W DE Mandelate racemase/muconate lactonizing enzyme, N-terminal domain protein OS Novosphingobium aromaticivorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.650 CC R-Factor 0.158 FT #SUB 52 36 LEU B 92 76 TRP A Protein S 6 FT #SUB 53 37 ASN B 92 76 TRP A Protein B 4 FT #SUB 54 38 GLY B 66 50 HIS A Protein B 5 FT #SUB 55 39 ARG B 62 46 TYR A Protein S 11 FT #SUB 55 39 ARG B 66 50 HIS A Protein A 14 FT #SUB 55 39 ARG B 90 74 ALA A Protein S 1 FT #SUB 56 40 GLU B 66 50 HIS A Protein B 3 FT #SUB 57 41 LEU B 61 45 ALA A Protein B 2 FT #SUB 57 41 LEU B 65 49 GLU A Protein S 4 FT #SUB 57 41 LEU B 66 50 HIS A Protein A 5 FT #SUB 58 42 SER B 58 42 SER A Protein A 4 FT #SUB 58 42 SER B 61 45 ALA A Protein B 1 FT #SUB 58 42 SER B 62 46 TYR A Protein S 5 FT #SUB 58 42 SER B 66 50 HIS A Protein B 1 FT #SUB 61 45 ALA B 57 41 LEU A Protein S 2 FT #SUB 61 45 ALA B 58 42 SER A Protein S 2 FT #SUB 61 45 ALA B 61 45 ALA A Protein S 1 FT #SUB 62 46 TYR B 55 39 ARG A Protein S 11 FT #SUB 62 46 TYR B 58 42 SER A Protein A 5 FT #SUB 65 49 GLU B 57 41 LEU A Protein S 2 FT #SUB 65 49 GLU B 404 388 TYR A Protein B 1 FT #SUB 66 50 HIS B 54 38 GLY A Protein S 5 FT #SUB 66 50 HIS B 55 39 ARG A Protein S 11 FT #SUB 66 50 HIS B 56 40 GLU A Protein S 3 FT #SUB 66 50 HIS B 57 41 LEU A Protein S 4 FT #SUB 66 50 HIS B 400 384 TYR A Protein S 1 FT #SUB 66 50 HIS B 404 388 TYR A Protein B 6 FT #SUB 69 53 PRO B 191 175 LEU A Protein B 1 FT #SUB 69 53 PRO B 404 388 TYR A Protein S 2 FT #SUB 70 54 CYS B 192 176 PRO A Protein S 2 FT #SUB 70 54 CYS B 404 388 TYR A Protein S 4 FT #SUB 81 65 ASP B 409 393 ARG A Protein S 8 FT #SUB 84 68 GLN B 415 399 MET A Protein A 4 FT #SUB 85 69 TYR B 192 176 PRO A Protein S 3 FT #SUB 85 69 TYR B 415 399 MET A Protein A 6 FT #SUB 87 71 TYR B 258 242 GLU A Protein S 5 FT #SUB 88 72 ARG B 415 399 MET A Protein S 5 FT #SUB 88 72 ARG B 416 400 TRP A Protein S 5 FT #SUB 88 72 ARG B 417 401 ASN A Protein S 5 FT #SUB 89 73 GLY B 407 391 VAL A Protein B 1 FT #SUB 90 74 ALA B 55 39 ARG A Protein B 1 FT #SUB 91 75 TYR B 228 212 HIS A Protein S 4 FT #SUB 91 75 TYR B 229 213 HIS A Protein S 5 FT #SUB 91 75 TYR B 278 262 GLU A Protein S 4 FT #SUB 91 75 TYR B 279 263 ILE A Protein A 5 FT #SUB 91 75 TYR B 405 389 LEU A Protein S 3 FT #SUB 91 75 TYR B 418 402 TRP A Protein S 5 FT #SUB 92 76 TRP B 52 36 LEU A Protein S 6 FT #SUB 92 76 TRP B 53 37 ASN A Protein S 4 FT #SUB 92 76 TRP B 96 80 PRO A Protein A 4 FT #SUB 92 76 TRP B 100 84 ARG A Protein S 5 FT #SUB 92 76 TRP B 278 262 GLU A Protein S 1 FT #SUB 92 76 TRP B 279 263 ILE A Protein S 4 FT #SUB 92 76 TRP B 332 316 ASP A Protein S 1 FT #SUB 93 77 ARG B 96 80 PRO A Protein B 2 FT #SUB 93 77 ARG B 258 242 GLU A Protein S 5 FT #SUB 93 77 ARG B 417 401 ASN A Protein S 6 FT #SUB 94 78 ARG B 94 78 ARG A Protein S 1 FT #SUB 94 78 ARG B 96 80 PRO A Protein B 3 FT #SUB 94 78 ARG B 258 242 GLU A Protein S 2 FT #SUB 94 78 ARG B 285 269 ASP A Protein S 1 FT #SUB 95 79 GLY B 95 79 GLY A Protein B 1 FT #SUB 95 79 GLY B 96 80 PRO A Protein B 1 FT #SUB 96 80 PRO B 92 76 TRP A Protein S 4 FT #SUB 96 80 PRO B 93 77 ARG A Protein S 2 FT #SUB 96 80 PRO B 94 78 ARG A Protein S 3 FT #SUB 96 80 PRO B 95 79 GLY A Protein S 1 FT #SUB 97 81 VAL B 97 81 VAL A Protein S 4 FT #SUB 98 82 THR B 96 80 PRO A Protein S 1 FT #SUB 100 84 ARG B 92 76 TRP A Protein S 5 FT #SUB 191 175 LEU B 69 53 PRO A Protein S 1 FT #SUB 192 176 PRO B 70 54 CYS A Protein S 2 FT #SUB 192 176 PRO B 85 69 TYR A Protein S 3 FT #SUB 228 212 HIS B 91 75 TYR A Protein S 3 FT #SUB 229 213 HIS B 91 75 TYR A Protein S 5 FT #SUB 258 242 GLU B 87 71 TYR A Protein S 5 FT #SUB 258 242 GLU B 93 77 ARG A Protein S 6 FT #SUB 258 242 GLU B 94 78 ARG A Protein A 2 FT #SUB 258 242 GLU B 284 268 TRP A Protein A 9 FT #SUB 259 243 ASN B 284 268 TRP A Protein A 3 FT #SUB 259 243 ASN B 287 271 LYS A Protein S 5 FT #SUB 261 245 GLU B 287 271 LYS A Protein S 4 FT #SUB 278 262 GLU B 91 75 TYR A Protein S 4 FT #SUB 278 262 GLU B 92 76 TRP A Protein B 1 FT #SUB 279 263 ILE B 91 75 TYR A Protein S 5 FT #SUB 279 263 ILE B 92 76 TRP A Protein A 2 FT #SUB 284 268 TRP B 258 242 GLU A Protein S 10 FT #SUB 284 268 TRP B 259 243 ASN A Protein S 5 FT #SUB 285 269 ASP B 94 78 ARG A Protein S 1 FT #SUB 287 271 LYS B 259 243 ASN A Protein S 5 FT #SUB 287 271 LYS B 261 245 GLU A Protein S 3 FT #SUB 332 316 ASP B 92 76 TRP A Protein S 1 FT #SUB 400 384 TYR B 66 50 HIS A Protein S 1 FT #SUB 404 388 TYR B 65 49 GLU A Protein S 1 FT #SUB 404 388 TYR B 66 50 HIS A Protein S 6 FT #SUB 404 388 TYR B 69 53 PRO A Protein S 2 FT #SUB 404 388 TYR B 70 54 CYS A Protein S 4 FT #SUB 405 389 LEU B 91 75 TYR A Protein S 3 FT #SUB 407 391 VAL B 89 73 GLY A Protein S 1 FT #SUB 409 393 ARG B 81 65 ASP A Protein S 8 FT #SUB 415 399 MET B 84 68 GLN A Protein S 4 FT #SUB 415 399 MET B 85 69 TYR A Protein S 6 FT #SUB 415 399 MET B 88 72 ARG A Protein B 5 FT #SUB 416 400 TRP B 88 72 ARG A Protein A 5 FT #SUB 417 401 ASN B 88 72 ARG A Protein S 5 FT #SUB 417 401 ASN B 93 77 ARG A Protein A 6 FT #SUB 418 402 TRP B 91 75 TYR A Protein A 5 FT #SUB 200 184 ARG B 219 203 PHE D Protein S 1 FT #SUB 200 184 ARG B 222 206 HIS D Protein S 1 FT #SUB 200 184 ARG B 247 231 GLN D Protein S 9 FT #SUB 204 188 ASN B 219 203 PHE D Protein S 6 FT #SUB 231 215 TYR B 322 306 GLN D Protein B 1 FT #SUB 232 216 THR B 322 306 GLN D Protein B 1 FT #SUB 232 216 THR B 324 308 ARG D Protein S 2 FT #SUB 233 217 PRO B 293 277 GLN D Protein S 1 FT #SUB 233 217 PRO B 322 306 GLN D Protein S 4 FT #SUB 234 218 GLN B 267 251 ARG D Protein S 2 FT #SUB 234 218 GLN B 271 255 VAL D Protein S 3 FT #SUB 234 218 GLN B 273 257 PRO D Protein S 6 FT #SUB 234 218 GLN B 296 280 ASP D Protein S 7 FT #SUB 235 219 GLU B 324 308 ARG D Protein S 4 FT #SUB 237 221 ALA B 271 255 VAL D Protein S 1 FT #SUB 238 222 ASN B 247 231 GLN D Protein S 8 FT #SUB 241 225 LYS B 271 255 VAL D Protein S 1 FT #SUB 242 226 MET B 247 231 GLN D Protein S 1 FT #SUB 255 239 THR B 322 306 GLN D Protein S 3 FT #SUB 256 240 PRO B 322 306 GLN D Protein A 4 FT #SUB 259 243 ASN B 320 304 LEU D Protein S 4 FT #SUB 259 243 ASN B 321 305 TYR D Protein S 3 FT #SUB 261 245 GLU B 293 277 GLN D Protein A 4 FT #SUB 261 245 GLU B 321 305 TYR D Protein S 4 FT #SUB 262 246 ALA B 322 306 GLN D Protein S 1 FT #SUB 264 248 ARG B 292 276 ASN D Protein S 4 FT #SUB 264 248 ARG B 293 277 GLN D Protein S 2 FT #SUB 265 249 LEU B 267 251 ARG D Protein S 6 FT #SUB 265 249 LEU B 293 277 GLN D Protein S 2 FT #SUB 268 252 GLN B 268 252 GLN D Protein S 3 FT #SUB 269 253 HIS B 267 251 ARG D Protein S 4 FT #SUB 269 253 HIS B 268 252 GLN D Protein S 3 FT #SUB 269 253 HIS B 269 253 HIS D Protein S 1 FT #SUB 269 253 HIS B 270 254 THR D Protein S 4 FT #SUB 269 253 HIS B 271 255 VAL D Protein S 3 FT #SUB 412 396 ASP B 130 114 ARG D Protein A 8 FT #SUB 412 396 ASP B 131 115 ASP D Protein B 3 FT #SUB 412 396 ASP B 132 116 GLY D Protein S 1 FT #SUB 413 397 GLY B 129 113 SER D Protein B 2 FT #SUB 414 398 THR B 129 113 SER D Protein B 2 FT #SUB 414 398 THR B 130 114 ARG D Protein S 5 FT #SUB 414 398 THR B 349 333 PRO D Protein S 1 FT #HET 53 37 ASN B 8 502 CS2 B S 3 FT #HET 91 75 TYR B 2 502 CS2 A S 4 FT #HET 92 76 TRP B 2 502 CS2 A S 1 FT #HET 95 79 GLY B 4 504 CO2 A B 4 FT #HET 96 80 PRO B 4 504 CO2 A A 7 FT #HET 97 81 VAL B 4 504 CO2 A A 8 FT #HET 98 82 THR B 4 504 CO2 A A 3 FT #HET 138 122 HIS B 8 502 CS2 B S 2 FT #HET 163 147 ARG B 8 502 CS2 B S 3 FT #HET 197 181 TRP B 11 505 PDO B S 4 FT #HET 203 187 LEU B 9 503 PGE B B 1 FT #HET 204 188 ASN B 9 503 PGE B S 1 FT #HET 206 190 VAL B 11 505 PDO B S 1 FT #HET 207 191 PRO B 9 503 PGE B S 3 FT #HET 208 192 LYS B 9 503 PGE B S 6 FT #HET 211 195 GLU B 9 503 PGE B S 5 FT #HET 225 209 HIS B 11 505 PDO B S 5 FT #HET 226 210 ASP B 7 501 MG B S 3 FT #HET 226 210 ASP B 8 502 CS2 B S 4 FT #HET 226 210 ASP B 11 505 PDO B B 2 FT #HET 227 211 GLY B 11 505 PDO B B 1 FT #HET 228 212 HIS B 8 502 CS2 B S 5 FT #HET 230 214 ARG B 11 505 PDO B S 3 FT #HET 231 215 TYR B 11 505 PDO B S 4 FT #HET 242 226 MET B 9 503 PGE B S 2 FT #HET 246 230 TYR B 9 503 PGE B S 1 FT #HET 252 236 GLU B 7 501 MG B S 3 FT #HET 252 236 GLU B 8 502 CS2 B S 2 FT #HET 278 262 GLU B 7 501 MG B S 3 FT #HET 278 262 GLU B 8 502 CS2 B S 9 FT #HET 299 283 ARG B 7 501 MG B S 1 FT #HET 299 283 ARG B 8 502 CS2 B S 2 FT #HET 328 312 HIS B 8 502 CS2 B S 7 FT #HET 330 314 PRO B 8 502 CS2 B S 3 FT #HET 332 316 ASP B 8 502 CS2 B S 7 FT #HET 355 339 GLU B 8 502 CS2 B S 9 FT #HET 405 389 LEU B 8 502 CS2 B S 4 FT #HET 418 402 TRP B 8 502 CS2 B S 2 FT DISORDER 1 15 FT DISORDER 173 189 CC SEQUENCE 386 AA (ATOM); CC HMKITAARVI ITCPGRNFVT LKIETDQGVY GIGDATLNGR ELSVVAYLQE HVAPCLIGMD CC PRRIEDIWQY VYRGAYWRRG PVTMRAIAAV DMALWDIKAK MAGMPLYQLL GGRSRDGIMV CC YGHANGSDIA ETVEAVGHYI DMGYKAIRAQ TGVPGIKSLP SVTGWDTRKA LNYVPKLFEE CC LRKTYGFDHH LLHDGHHRYT PQEAANLGKM LEPYQLFWLE DCTPAENQEA FRLVRQHTVT CC PLAVGEIFNT IWDAKDLIQN QLIDYIRATV VGAGGLTHLR RIADLASLYQ VRTGCHGPTD CC LSPVTMGCAL HFDTWVPNFG IQEYMRHTEE TDAVFPHDYW FEKGELFVGE TPGHGVDIDE CC ELAAKYPYKP AYLPVARLED GTMWNW CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HHHHHHSSGLVPRGSHMKITAARVIITCPGRNFVTLKIETDQGVYGIGDA CC ATOM ---------------HMKITAARVIITCPGRNFVTLKIETDQGVYGIGDA CC *********************************** CC SEQRES TLNGRELSVVAYLQEHVAPCLIGMDPRRIEDIWQYVYRGAYWRRGPVTMR CC ATOM TLNGRELSVVAYLQEHVAPCLIGMDPRRIEDIWQYVYRGAYWRRGPVTMR CC ************************************************** CC SEQRES AIAAVDMALWDIKAKMAGMPLYQLLGGRSRDGIMVYGHANGSDIAETVEA CC ATOM AIAAVDMALWDIKAKMAGMPLYQLLGGRSRDGIMVYGHANGSDIAETVEA CC ************************************************** CC SEQRES VGHYIDMGYKAIRAQTGVPGIKDAYGVGRGKLYYEPADASLPSVTGWDTR CC ATOM VGHYIDMGYKAIRAQTGVPGIK-----------------SLPSVTGWDTR CC ********************** *********** CC SEQRES KALNYVPKLFEELRKTYGFDHHLLHDGHHRYTPQEAANLGKMLEPYQLFW CC ATOM KALNYVPKLFEELRKTYGFDHHLLHDGHHRYTPQEAANLGKMLEPYQLFW CC ************************************************** CC SEQRES LEDCTPAENQEAFRLVRQHTVTPLAVGEIFNTIWDAKDLIQNQLIDYIRA CC ATOM LEDCTPAENQEAFRLVRQHTVTPLAVGEIFNTIWDAKDLIQNQLIDYIRA CC ************************************************** CC SEQRES TVVGAGGLTHLRRIADLASLYQVRTGCHGPTDLSPVTMGCALHFDTWVPN CC ATOM TVVGAGGLTHLRRIADLASLYQVRTGCHGPTDLSPVTMGCALHFDTWVPN CC ************************************************** CC SEQRES FGIQEYMRHTEETDAVFPHDYWFEKGELFVGETPGHGVDIDEELAAKYPY CC ATOM FGIQEYMRHTEETDAVFPHDYWFEKGELFVGETPGHGVDIDEELAAKYPY CC ************************************************** CC SEQRES KPAYLPVARLEDGTMWNW CC ATOM KPAYLPVARLEDGTMWNW CC ****************** SQ SEQUENCE 418 AA; MW; CN; HHHHHHSSGL VPRGSHMKIT AARVIITCPG RNFVTLKIET DQGVYGIGDA TLNGRELSVV AYLQEHVAPC LIGMDPRRIE DIWQYVYRGA YWRRGPVTMR AIAAVDMALW DIKAKMAGMP LYQLLGGRSR DGIMVYGHAN GSDIAETVEA VGHYIDMGYK AIRAQTGVPG IKDAYGVGRG KLYYEPADAS LPSVTGWDTR KALNYVPKLF EELRKTYGFD HHLLHDGHHR YTPQEAANLG KMLEPYQLFW LEDCTPAENQ EAFRLVRQHT VTPLAVGEIF NTIWDAKDLI QNQLIDYIRA TVVGAGGLTH LRRIADLASL YQVRTGCHGP TDLSPVTMGC ALHFDTWVPN FGIQEYMRHT EETDAVFPHD YWFEKGELFV GETPGHGVDI DEELAAKYPY KPAYLPVARL EDGTMWNW // ID 4K1WC STANDARD; PRT; 418 AA. DT CONVERTED FROM PDB (SEQRES) 4K1W DE Mandelate racemase/muconate lactonizing enzyme, N-terminal domain protein OS Novosphingobium aromaticivorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.650 CC R-Factor 0.158 FT #SUB 200 184 ARG C 219 203 PHE A Protein S 1 FT #SUB 200 184 ARG C 222 206 HIS A Protein S 1 FT #SUB 200 184 ARG C 247 231 GLN A Protein S 9 FT #SUB 204 188 ASN C 219 203 PHE A Protein S 6 FT #SUB 231 215 TYR C 322 306 GLN A Protein B 1 FT #SUB 232 216 THR C 322 306 GLN A Protein A 2 FT #SUB 232 216 THR C 324 308 ARG A Protein S 2 FT #SUB 233 217 PRO C 293 277 GLN A Protein S 1 FT #SUB 233 217 PRO C 322 306 GLN A Protein S 4 FT #SUB 234 218 GLN C 267 251 ARG A Protein S 1 FT #SUB 234 218 GLN C 271 255 VAL A Protein S 3 FT #SUB 234 218 GLN C 273 257 PRO A Protein S 5 FT #SUB 234 218 GLN C 296 280 ASP A Protein S 7 FT #SUB 235 219 GLU C 324 308 ARG A Protein S 4 FT #SUB 237 221 ALA C 271 255 VAL A Protein S 1 FT #SUB 238 222 ASN C 247 231 GLN A Protein S 8 FT #SUB 241 225 LYS C 244 228 GLU A Protein S 1 FT #SUB 241 225 LYS C 271 255 VAL A Protein S 1 FT #SUB 242 226 MET C 247 231 GLN A Protein S 1 FT #SUB 255 239 THR C 322 306 GLN A Protein S 3 FT #SUB 256 240 PRO C 322 306 GLN A Protein A 4 FT #SUB 259 243 ASN C 320 304 LEU A Protein S 4 FT #SUB 259 243 ASN C 321 305 TYR A Protein S 3 FT #SUB 261 245 GLU C 293 277 GLN A Protein A 4 FT #SUB 261 245 GLU C 321 305 TYR A Protein S 4 FT #SUB 262 246 ALA C 322 306 GLN A Protein S 1 FT #SUB 264 248 ARG C 292 276 ASN A Protein S 3 FT #SUB 264 248 ARG C 293 277 GLN A Protein S 2 FT #SUB 265 249 LEU C 267 251 ARG A Protein S 5 FT #SUB 265 249 LEU C 293 277 GLN A Protein S 2 FT #SUB 268 252 GLN C 268 252 GLN A Protein S 3 FT #SUB 269 253 HIS C 267 251 ARG A Protein S 4 FT #SUB 269 253 HIS C 268 252 GLN A Protein S 3 FT #SUB 269 253 HIS C 269 253 HIS A Protein S 1 FT #SUB 269 253 HIS C 270 254 THR A Protein S 4 FT #SUB 269 253 HIS C 271 255 VAL A Protein S 3 FT #SUB 412 396 ASP C 130 114 ARG A Protein A 8 FT #SUB 412 396 ASP C 131 115 ASP A Protein B 2 FT #SUB 412 396 ASP C 132 116 GLY A Protein S 1 FT #SUB 413 397 GLY C 129 113 SER A Protein B 2 FT #SUB 414 398 THR C 129 113 SER A Protein B 2 FT #SUB 414 398 THR C 130 114 ARG A Protein S 5 FT #SUB 414 398 THR C 349 333 PRO A Protein S 1 FT #SUB 52 36 LEU C 92 76 TRP D Protein S 5 FT #SUB 53 37 ASN C 92 76 TRP D Protein B 4 FT #SUB 54 38 GLY C 66 50 HIS D Protein B 5 FT #SUB 55 39 ARG C 62 46 TYR D Protein S 10 FT #SUB 55 39 ARG C 66 50 HIS D Protein A 12 FT #SUB 55 39 ARG C 90 74 ALA D Protein S 2 FT #SUB 56 40 GLU C 66 50 HIS D Protein A 4 FT #SUB 57 41 LEU C 61 45 ALA D Protein B 2 FT #SUB 57 41 LEU C 65 49 GLU D Protein S 5 FT #SUB 57 41 LEU C 66 50 HIS D Protein A 4 FT #SUB 58 42 SER C 58 42 SER D Protein A 4 FT #SUB 58 42 SER C 61 45 ALA D Protein B 2 FT #SUB 58 42 SER C 62 46 TYR D Protein S 5 FT #SUB 58 42 SER C 66 50 HIS D Protein B 1 FT #SUB 61 45 ALA C 57 41 LEU D Protein S 2 FT #SUB 61 45 ALA C 58 42 SER D Protein S 1 FT #SUB 61 45 ALA C 61 45 ALA D Protein S 1 FT #SUB 62 46 TYR C 55 39 ARG D Protein S 11 FT #SUB 62 46 TYR C 58 42 SER D Protein A 5 FT #SUB 65 49 GLU C 57 41 LEU D Protein S 2 FT #SUB 65 49 GLU C 404 388 TYR D Protein B 1 FT #SUB 66 50 HIS C 54 38 GLY D Protein S 5 FT #SUB 66 50 HIS C 55 39 ARG D Protein S 12 FT #SUB 66 50 HIS C 56 40 GLU D Protein S 3 FT #SUB 66 50 HIS C 57 41 LEU D Protein S 5 FT #SUB 66 50 HIS C 58 42 SER D Protein S 1 FT #SUB 66 50 HIS C 400 384 TYR D Protein S 1 FT #SUB 66 50 HIS C 404 388 TYR D Protein B 6 FT #SUB 69 53 PRO C 191 175 LEU D Protein B 1 FT #SUB 69 53 PRO C 404 388 TYR D Protein S 2 FT #SUB 70 54 CYS C 192 176 PRO D Protein S 2 FT #SUB 70 54 CYS C 404 388 TYR D Protein S 3 FT #SUB 81 65 ASP C 409 393 ARG D Protein S 8 FT #SUB 81 65 ASP C 415 399 MET D Protein A 2 FT #SUB 84 68 GLN C 415 399 MET D Protein A 2 FT #SUB 85 69 TYR C 192 176 PRO D Protein S 3 FT #SUB 85 69 TYR C 415 399 MET D Protein A 4 FT #SUB 87 71 TYR C 258 242 GLU D Protein S 5 FT #SUB 88 72 ARG C 415 399 MET D Protein S 5 FT #SUB 88 72 ARG C 416 400 TRP D Protein S 6 FT #SUB 88 72 ARG C 417 401 ASN D Protein S 6 FT #SUB 89 73 GLY C 407 391 VAL D Protein B 1 FT #SUB 90 74 ALA C 55 39 ARG D Protein A 3 FT #SUB 91 75 TYR C 228 212 HIS D Protein S 4 FT #SUB 91 75 TYR C 229 213 HIS D Protein S 5 FT #SUB 91 75 TYR C 278 262 GLU D Protein S 4 FT #SUB 91 75 TYR C 279 263 ILE D Protein A 5 FT #SUB 91 75 TYR C 405 389 LEU D Protein S 3 FT #SUB 91 75 TYR C 418 402 TRP D Protein S 4 FT #SUB 92 76 TRP C 52 36 LEU D Protein S 6 FT #SUB 92 76 TRP C 53 37 ASN D Protein S 4 FT #SUB 92 76 TRP C 96 80 PRO D Protein A 2 FT #SUB 92 76 TRP C 100 84 ARG D Protein S 2 FT #SUB 92 76 TRP C 278 262 GLU D Protein S 1 FT #SUB 92 76 TRP C 279 263 ILE D Protein S 3 FT #SUB 92 76 TRP C 332 316 ASP D Protein S 1 FT #SUB 93 77 ARG C 96 80 PRO D Protein B 1 FT #SUB 93 77 ARG C 258 242 GLU D Protein S 5 FT #SUB 93 77 ARG C 417 401 ASN D Protein S 6 FT #SUB 94 78 ARG C 94 78 ARG D Protein S 1 FT #SUB 94 78 ARG C 96 80 PRO D Protein B 3 FT #SUB 94 78 ARG C 258 242 GLU D Protein S 2 FT #SUB 94 78 ARG C 285 269 ASP D Protein S 1 FT #SUB 95 79 GLY C 95 79 GLY D Protein B 1 FT #SUB 95 79 GLY C 96 80 PRO D Protein B 1 FT #SUB 96 80 PRO C 92 76 TRP D Protein S 3 FT #SUB 96 80 PRO C 93 77 ARG D Protein S 1 FT #SUB 96 80 PRO C 94 78 ARG D Protein S 3 FT #SUB 96 80 PRO C 95 79 GLY D Protein S 1 FT #SUB 96 80 PRO C 98 82 THR D Protein S 1 FT #SUB 97 81 VAL C 97 81 VAL D Protein S 2 FT #SUB 98 82 THR C 96 80 PRO D Protein S 1 FT #SUB 100 84 ARG C 92 76 TRP D Protein S 5 FT #SUB 191 175 LEU C 69 53 PRO D Protein S 1 FT #SUB 192 176 PRO C 70 54 CYS D Protein S 2 FT #SUB 192 176 PRO C 85 69 TYR D Protein S 1 FT #SUB 228 212 HIS C 91 75 TYR D Protein S 4 FT #SUB 229 213 HIS C 91 75 TYR D Protein S 5 FT #SUB 258 242 GLU C 87 71 TYR D Protein S 5 FT #SUB 258 242 GLU C 93 77 ARG D Protein S 5 FT #SUB 258 242 GLU C 94 78 ARG D Protein A 2 FT #SUB 258 242 GLU C 284 268 TRP D Protein A 9 FT #SUB 259 243 ASN C 284 268 TRP D Protein A 5 FT #SUB 259 243 ASN C 287 271 LYS D Protein S 5 FT #SUB 261 245 GLU C 287 271 LYS D Protein S 4 FT #SUB 278 262 GLU C 91 75 TYR D Protein S 4 FT #SUB 278 262 GLU C 92 76 TRP D Protein B 1 FT #SUB 279 263 ILE C 91 75 TYR D Protein S 5 FT #SUB 279 263 ILE C 92 76 TRP D Protein A 3 FT #SUB 284 268 TRP C 258 242 GLU D Protein S 8 FT #SUB 284 268 TRP C 259 243 ASN D Protein S 3 FT #SUB 285 269 ASP C 94 78 ARG D Protein S 1 FT #SUB 287 271 LYS C 259 243 ASN D Protein S 5 FT #SUB 287 271 LYS C 261 245 GLU D Protein S 4 FT #SUB 332 316 ASP C 92 76 TRP D Protein S 1 FT #SUB 400 384 TYR C 66 50 HIS D Protein S 1 FT #SUB 404 388 TYR C 65 49 GLU D Protein S 1 FT #SUB 404 388 TYR C 66 50 HIS D Protein S 6 FT #SUB 404 388 TYR C 69 53 PRO D Protein S 2 FT #SUB 404 388 TYR C 70 54 CYS D Protein S 3 FT #SUB 405 389 LEU C 91 75 TYR D Protein S 3 FT #SUB 407 391 VAL C 85 69 TYR D Protein S 1 FT #SUB 409 393 ARG C 81 65 ASP D Protein S 8 FT #SUB 415 399 MET C 81 65 ASP D Protein S 1 FT #SUB 415 399 MET C 84 68 GLN D Protein S 4 FT #SUB 415 399 MET C 85 69 TYR D Protein S 7 FT #SUB 415 399 MET C 88 72 ARG D Protein B 5 FT #SUB 416 400 TRP C 88 72 ARG D Protein A 5 FT #SUB 417 401 ASN C 88 72 ARG D Protein S 5 FT #SUB 417 401 ASN C 93 77 ARG D Protein A 6 FT #SUB 418 402 TRP C 91 75 TYR D Protein A 5 FT #HET 53 37 ASN C 13 502 CS2 C S 3 FT #HET 91 75 TYR C 20 502 CS2 D S 2 FT #HET 92 76 TRP C 20 502 CS2 D S 1 FT #HET 94 78 ARG C 15 504 CO2 C B 1 FT #HET 95 79 GLY C 15 504 CO2 C B 5 FT #HET 96 80 PRO C 15 504 CO2 C A 6 FT #HET 97 81 VAL C 15 504 CO2 C A 11 FT #HET 98 82 THR C 15 504 CO2 C A 6 FT #HET 119 103 MET C 17 506 CO3 C S 3 FT #HET 120 104 PRO C 17 506 CO3 C S 1 FT #HET 138 122 HIS C 13 502 CS2 C S 1 FT #HET 163 147 ARG C 13 502 CS2 C S 3 FT #HET 197 181 TRP C 18 507 PDO C S 3 FT #HET 206 190 VAL C 18 507 PDO C S 1 FT #HET 207 191 PRO C 14 503 PGE C S 2 FT #HET 208 192 LYS C 14 503 PGE C S 12 FT #HET 211 195 GLU C 14 503 PGE C S 2 FT #HET 225 209 HIS C 18 507 PDO C S 5 FT #HET 226 210 ASP C 12 501 MG C S 3 FT #HET 226 210 ASP C 13 502 CS2 C S 4 FT #HET 226 210 ASP C 18 507 PDO C B 1 FT #HET 227 211 GLY C 18 507 PDO C B 2 FT #HET 228 212 HIS C 12 501 MG C S 1 FT #HET 228 212 HIS C 13 502 CS2 C S 7 FT #HET 230 214 ARG C 18 507 PDO C S 2 FT #HET 231 215 TYR C 18 507 PDO C S 4 FT #HET 242 226 MET C 5 505 CO2 A S 1 FT #HET 242 226 MET C 14 503 PGE C S 2 FT #HET 246 230 TYR C 14 503 PGE C S 2 FT #HET 252 236 GLU C 12 501 MG C S 3 FT #HET 252 236 GLU C 13 502 CS2 C S 2 FT #HET 259 243 ASN C 22 504 CO2 D S 1 FT #HET 261 245 GLU C 22 504 CO2 D S 8 FT #HET 278 262 GLU C 12 501 MG C S 3 FT #HET 278 262 GLU C 13 502 CS2 C S 10 FT #HET 299 283 ARG C 12 501 MG C S 1 FT #HET 299 283 ARG C 13 502 CS2 C S 1 FT #HET 315 299 ALA C 16 505 CO2 C B 2 FT #HET 316 300 ASP C 16 505 CO2 C A 8 FT #HET 319 303 SER C 16 505 CO2 C S 5 FT #HET 328 312 HIS C 13 502 CS2 C S 5 FT #HET 330 314 PRO C 13 502 CS2 C S 3 FT #HET 332 316 ASP C 13 502 CS2 C S 7 FT #HET 348 332 VAL C 16 505 CO2 C S 1 FT #HET 349 333 PRO C 16 505 CO2 C S 5 FT #HET 350 334 ASN C 16 505 CO2 C S 3 FT #HET 355 339 GLU C 13 502 CS2 C S 6 FT #HET 405 389 LEU C 13 502 CS2 C S 4 FT #HET 418 402 TRP C 13 502 CS2 C S 2 FT DISORDER 1 15 FT DISORDER 172 190 CC SEQUENCE 384 AA (ATOM); CC HMKITAARVI ITCPGRNFVT LKIETDQGVY GIGDATLNGR ELSVVAYLQE HVAPCLIGMD CC PRRIEDIWQY VYRGAYWRRG PVTMRAIAAV DMALWDIKAK MAGMPLYQLL GGRSRDGIMV CC YGHANGSDIA ETVEAVGHYI DMGYKAIRAQ TGVPGILPSV TGWDTRKALN YVPKLFEELR CC KTYGFDHHLL HDGHHRYTPQ EAANLGKMLE PYQLFWLEDC TPAENQEAFR LVRQHTVTPL CC AVGEIFNTIW DAKDLIQNQL IDYIRATVVG AGGLTHLRRI ADLASLYQVR TGCHGPTDLS CC PVTMGCALHF DTWVPNFGIQ EYMRHTEETD AVFPHDYWFE KGELFVGETP GHGVDIDEEL CC AAKYPYKPAY LPVARLEDGT MWNW CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HHHHHHSSGLVPRGSHMKITAARVIITCPGRNFVTLKIETDQGVYGIGDA CC ATOM ---------------HMKITAARVIITCPGRNFVTLKIETDQGVYGIGDA CC *********************************** CC SEQRES TLNGRELSVVAYLQEHVAPCLIGMDPRRIEDIWQYVYRGAYWRRGPVTMR CC ATOM TLNGRELSVVAYLQEHVAPCLIGMDPRRIEDIWQYVYRGAYWRRGPVTMR CC ************************************************** CC SEQRES AIAAVDMALWDIKAKMAGMPLYQLLGGRSRDGIMVYGHANGSDIAETVEA CC ATOM AIAAVDMALWDIKAKMAGMPLYQLLGGRSRDGIMVYGHANGSDIAETVEA CC ************************************************** CC SEQRES VGHYIDMGYKAIRAQTGVPGIKDAYGVGRGKLYYEPADASLPSVTGWDTR CC ATOM VGHYIDMGYKAIRAQTGVPGI-------------------LPSVTGWDTR CC ********************* ********** CC SEQRES KALNYVPKLFEELRKTYGFDHHLLHDGHHRYTPQEAANLGKMLEPYQLFW CC ATOM KALNYVPKLFEELRKTYGFDHHLLHDGHHRYTPQEAANLGKMLEPYQLFW CC ************************************************** CC SEQRES LEDCTPAENQEAFRLVRQHTVTPLAVGEIFNTIWDAKDLIQNQLIDYIRA CC ATOM LEDCTPAENQEAFRLVRQHTVTPLAVGEIFNTIWDAKDLIQNQLIDYIRA CC ************************************************** CC SEQRES TVVGAGGLTHLRRIADLASLYQVRTGCHGPTDLSPVTMGCALHFDTWVPN CC ATOM TVVGAGGLTHLRRIADLASLYQVRTGCHGPTDLSPVTMGCALHFDTWVPN CC ************************************************** CC SEQRES FGIQEYMRHTEETDAVFPHDYWFEKGELFVGETPGHGVDIDEELAAKYPY CC ATOM FGIQEYMRHTEETDAVFPHDYWFEKGELFVGETPGHGVDIDEELAAKYPY CC ************************************************** CC SEQRES KPAYLPVARLEDGTMWNW CC ATOM KPAYLPVARLEDGTMWNW CC ****************** SQ SEQUENCE 418 AA; MW; CN; HHHHHHSSGL VPRGSHMKIT AARVIITCPG RNFVTLKIET DQGVYGIGDA TLNGRELSVV AYLQEHVAPC LIGMDPRRIE DIWQYVYRGA YWRRGPVTMR AIAAVDMALW DIKAKMAGMP LYQLLGGRSR DGIMVYGHAN GSDIAETVEA VGHYIDMGYK AIRAQTGVPG IKDAYGVGRG KLYYEPADAS LPSVTGWDTR KALNYVPKLF EELRKTYGFD HHLLHDGHHR YTPQEAANLG KMLEPYQLFW LEDCTPAENQ EAFRLVRQHT VTPLAVGEIF NTIWDAKDLI QNQLIDYIRA TVVGAGGLTH LRRIADLASL YQVRTGCHGP TDLSPVTMGC ALHFDTWVPN FGIQEYMRHT EETDAVFPHD YWFEKGELFV GETPGHGVDI DEELAAKYPY KPAYLPVARL EDGTMWNW // ID 4K1WD STANDARD; PRT; 418 AA. DT CONVERTED FROM PDB (SEQRES) 4K1W DE Mandelate racemase/muconate lactonizing enzyme, N-terminal domain protein OS Novosphingobium aromaticivorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.650 CC R-Factor 0.158 FT #SUB 77 61 ARG D 123 107 GLN A Protein A 7 FT #SUB 77 61 ARG D 126 110 GLY A Protein B 1 FT #SUB 77 61 ARG D 127 111 GLY A Protein B 1 FT #SUB 78 62 ARG D 126 110 GLY A Protein B 1 FT #SUB 78 62 ARG D 128 112 ARG A Protein S 9 FT #SUB 78 62 ARG D 129 113 SER A Protein S 2 FT #SUB 79 63 ILE D 126 110 GLY A Protein A 4 FT #SUB 80 64 GLU D 126 110 GLY A Protein A 3 FT #SUB 80 64 GLU D 129 113 SER A Protein S 2 FT #SUB 80 64 GLU D 347 331 TRP A Protein S 9 FT #SUB 80 64 GLU D 349 333 PRO A Protein S 3 FT #SUB 81 65 ASP D 128 112 ARG A Protein S 1 FT #SUB 84 68 GLN D 349 333 PRO A Protein S 2 FT #SUB 110 94 TRP D 124 108 LEU A Protein S 1 FT #SUB 113 97 LYS D 119 103 MET A Protein B 1 FT #SUB 113 97 LYS D 123 107 GLN A Protein S 8 FT #SUB 116 100 MET D 119 103 MET A Protein A 2 FT #SUB 117 101 ALA D 10 -6 LEU A Protein B 1 FT #SUB 117 101 ALA D 117 101 ALA A Protein A 3 FT #SUB 117 101 ALA D 119 103 MET A Protein A 3 FT #SUB 118 102 GLY D 10 -6 LEU A Protein B 2 FT #SUB 119 103 MET D 113 97 LYS A Protein S 1 FT #SUB 119 103 MET D 116 100 MET A Protein S 2 FT #SUB 119 103 MET D 117 101 ALA A Protein S 3 FT #SUB 123 107 GLN D 77 61 ARG A Protein S 4 FT #SUB 123 107 GLN D 113 97 LYS A Protein A 8 FT #SUB 124 108 LEU D 110 94 TRP A Protein B 1 FT #SUB 126 110 GLY D 79 63 ILE A Protein B 4 FT #SUB 126 110 GLY D 80 64 GLU A Protein B 3 FT #SUB 127 111 GLY D 77 61 ARG A Protein B 1 FT #SUB 128 112 ARG D 78 62 ARG A Protein B 5 FT #SUB 128 112 ARG D 81 65 ASP A Protein B 1 FT #SUB 129 113 SER D 78 62 ARG A Protein B 2 FT #SUB 129 113 SER D 80 64 GLU A Protein S 1 FT #SUB 283 267 ILE D 320 304 LEU A Protein S 2 FT #SUB 284 268 TRP D 320 304 LEU A Protein S 7 FT #SUB 287 271 LYS D 321 305 TYR A Protein S 1 FT #SUB 291 275 GLN D 291 275 GLN A Protein S 5 FT #SUB 291 275 GLN D 320 304 LEU A Protein S 1 FT #SUB 291 275 GLN D 321 305 TYR A Protein S 4 FT #SUB 312 296 ARG D 312 296 ARG A Protein S 12 FT #SUB 313 297 ARG D 319 303 SER A Protein S 2 FT #SUB 317 301 LEU D 317 301 LEU A Protein S 1 FT #SUB 319 303 SER D 313 297 ARG A Protein S 2 FT #SUB 320 304 LEU D 283 267 ILE A Protein S 2 FT #SUB 320 304 LEU D 284 268 TRP A Protein A 5 FT #SUB 320 304 LEU D 313 297 ARG A Protein S 1 FT #SUB 320 304 LEU D 317 301 LEU A Protein S 2 FT #SUB 321 305 TYR D 287 271 LYS A Protein S 1 FT #SUB 321 305 TYR D 291 275 GLN A Protein S 4 FT #SUB 347 331 TRP D 80 64 GLU A Protein S 8 FT #SUB 349 333 PRO D 80 64 GLU A Protein S 1 FT #SUB 349 333 PRO D 84 68 GLN A Protein S 1 FT #SUB 382 366 GLU D 13 -3 ARG A Protein S 1 FT #SUB 383 367 THR D 13 -3 ARG A Protein S 3 FT #SUB 129 113 SER D 413 397 GLY B Protein B 2 FT #SUB 129 113 SER D 414 398 THR B Protein B 2 FT #SUB 130 114 ARG D 412 396 ASP B Protein A 8 FT #SUB 130 114 ARG D 414 398 THR B Protein S 5 FT #SUB 131 115 ASP D 412 396 ASP B Protein A 3 FT #SUB 132 116 GLY D 412 396 ASP B Protein B 1 FT #SUB 219 203 PHE D 200 184 ARG B Protein B 1 FT #SUB 219 203 PHE D 204 188 ASN B Protein A 6 FT #SUB 222 206 HIS D 200 184 ARG B Protein S 1 FT #SUB 247 231 GLN D 200 184 ARG B Protein A 9 FT #SUB 247 231 GLN D 238 222 ASN B Protein S 8 FT #SUB 247 231 GLN D 242 226 MET B Protein S 1 FT #SUB 267 251 ARG D 234 218 GLN B Protein S 2 FT #SUB 267 251 ARG D 265 249 LEU B Protein S 6 FT #SUB 267 251 ARG D 269 253 HIS B Protein B 4 FT #SUB 268 252 GLN D 268 252 GLN B Protein A 3 FT #SUB 268 252 GLN D 269 253 HIS B Protein B 3 FT #SUB 269 253 HIS D 269 253 HIS B Protein B 1 FT #SUB 270 254 THR D 269 253 HIS B Protein B 4 FT #SUB 271 255 VAL D 234 218 GLN B Protein B 3 FT #SUB 271 255 VAL D 237 221 ALA B Protein S 1 FT #SUB 271 255 VAL D 241 225 LYS B Protein S 1 FT #SUB 271 255 VAL D 269 253 HIS B Protein S 3 FT #SUB 273 257 PRO D 234 218 GLN B Protein S 6 FT #SUB 292 276 ASN D 264 248 ARG B Protein B 4 FT #SUB 293 277 GLN D 233 217 PRO B Protein S 1 FT #SUB 293 277 GLN D 261 245 GLU B Protein S 4 FT #SUB 293 277 GLN D 264 248 ARG B Protein S 2 FT #SUB 293 277 GLN D 265 249 LEU B Protein B 2 FT #SUB 296 280 ASP D 234 218 GLN B Protein S 7 FT #SUB 320 304 LEU D 259 243 ASN B Protein B 4 FT #SUB 321 305 TYR D 259 243 ASN B Protein S 3 FT #SUB 321 305 TYR D 261 245 GLU B Protein S 4 FT #SUB 322 306 GLN D 231 215 TYR B Protein S 1 FT #SUB 322 306 GLN D 232 216 THR B Protein S 1 FT #SUB 322 306 GLN D 233 217 PRO B Protein S 4 FT #SUB 322 306 GLN D 255 239 THR B Protein S 3 FT #SUB 322 306 GLN D 256 240 PRO B Protein S 4 FT #SUB 322 306 GLN D 262 246 ALA B Protein S 1 FT #SUB 324 308 ARG D 232 216 THR B Protein S 2 FT #SUB 324 308 ARG D 235 219 GLU B Protein S 4 FT #SUB 349 333 PRO D 414 398 THR B Protein B 1 FT #SUB 52 36 LEU D 92 76 TRP C Protein S 6 FT #SUB 53 37 ASN D 92 76 TRP C Protein B 4 FT #SUB 54 38 GLY D 66 50 HIS C Protein B 5 FT #SUB 55 39 ARG D 62 46 TYR C Protein S 11 FT #SUB 55 39 ARG D 66 50 HIS C Protein A 12 FT #SUB 55 39 ARG D 90 74 ALA C Protein S 3 FT #SUB 56 40 GLU D 66 50 HIS C Protein A 3 FT #SUB 57 41 LEU D 61 45 ALA C Protein B 2 FT #SUB 57 41 LEU D 65 49 GLU C Protein S 2 FT #SUB 57 41 LEU D 66 50 HIS C Protein A 5 FT #SUB 58 42 SER D 58 42 SER C Protein A 4 FT #SUB 58 42 SER D 61 45 ALA C Protein B 1 FT #SUB 58 42 SER D 62 46 TYR C Protein S 5 FT #SUB 58 42 SER D 66 50 HIS C Protein B 1 FT #SUB 61 45 ALA D 57 41 LEU C Protein S 2 FT #SUB 61 45 ALA D 58 42 SER C Protein S 2 FT #SUB 61 45 ALA D 61 45 ALA C Protein S 1 FT #SUB 62 46 TYR D 55 39 ARG C Protein S 10 FT #SUB 62 46 TYR D 58 42 SER C Protein A 5 FT #SUB 65 49 GLU D 57 41 LEU C Protein S 5 FT #SUB 65 49 GLU D 404 388 TYR C Protein B 1 FT #SUB 66 50 HIS D 54 38 GLY C Protein S 5 FT #SUB 66 50 HIS D 55 39 ARG C Protein S 12 FT #SUB 66 50 HIS D 56 40 GLU C Protein S 4 FT #SUB 66 50 HIS D 57 41 LEU C Protein S 4 FT #SUB 66 50 HIS D 58 42 SER C Protein S 1 FT #SUB 66 50 HIS D 400 384 TYR C Protein S 1 FT #SUB 66 50 HIS D 404 388 TYR C Protein B 6 FT #SUB 69 53 PRO D 191 175 LEU C Protein B 1 FT #SUB 69 53 PRO D 404 388 TYR C Protein S 2 FT #SUB 70 54 CYS D 192 176 PRO C Protein S 2 FT #SUB 70 54 CYS D 404 388 TYR C Protein S 3 FT #SUB 81 65 ASP D 409 393 ARG C Protein S 8 FT #SUB 81 65 ASP D 415 399 MET C Protein S 1 FT #SUB 84 68 GLN D 415 399 MET C Protein A 4 FT #SUB 85 69 TYR D 192 176 PRO C Protein S 1 FT #SUB 85 69 TYR D 407 391 VAL C Protein S 1 FT #SUB 85 69 TYR D 415 399 MET C Protein A 7 FT #SUB 87 71 TYR D 258 242 GLU C Protein S 5 FT #SUB 88 72 ARG D 415 399 MET C Protein S 5 FT #SUB 88 72 ARG D 416 400 TRP C Protein S 5 FT #SUB 88 72 ARG D 417 401 ASN C Protein S 5 FT #SUB 90 74 ALA D 55 39 ARG C Protein B 2 FT #SUB 91 75 TYR D 228 212 HIS C Protein S 4 FT #SUB 91 75 TYR D 229 213 HIS C Protein S 5 FT #SUB 91 75 TYR D 278 262 GLU C Protein S 4 FT #SUB 91 75 TYR D 279 263 ILE C Protein A 5 FT #SUB 91 75 TYR D 405 389 LEU C Protein S 3 FT #SUB 91 75 TYR D 418 402 TRP C Protein S 5 FT #SUB 92 76 TRP D 52 36 LEU C Protein S 5 FT #SUB 92 76 TRP D 53 37 ASN C Protein S 4 FT #SUB 92 76 TRP D 96 80 PRO C Protein A 3 FT #SUB 92 76 TRP D 100 84 ARG C Protein S 5 FT #SUB 92 76 TRP D 278 262 GLU C Protein S 1 FT #SUB 92 76 TRP D 279 263 ILE C Protein S 3 FT #SUB 92 76 TRP D 332 316 ASP C Protein S 1 FT #SUB 93 77 ARG D 96 80 PRO C Protein B 1 FT #SUB 93 77 ARG D 258 242 GLU C Protein S 5 FT #SUB 93 77 ARG D 417 401 ASN C Protein S 6 FT #SUB 94 78 ARG D 94 78 ARG C Protein S 1 FT #SUB 94 78 ARG D 96 80 PRO C Protein B 3 FT #SUB 94 78 ARG D 258 242 GLU C Protein S 2 FT #SUB 94 78 ARG D 285 269 ASP C Protein S 1 FT #SUB 95 79 GLY D 95 79 GLY C Protein B 1 FT #SUB 95 79 GLY D 96 80 PRO C Protein B 1 FT #SUB 96 80 PRO D 92 76 TRP C Protein S 2 FT #SUB 96 80 PRO D 93 77 ARG C Protein S 1 FT #SUB 96 80 PRO D 94 78 ARG C Protein S 3 FT #SUB 96 80 PRO D 95 79 GLY C Protein S 1 FT #SUB 96 80 PRO D 98 82 THR C Protein S 1 FT #SUB 97 81 VAL D 97 81 VAL C Protein S 2 FT #SUB 98 82 THR D 96 80 PRO C Protein S 1 FT #SUB 100 84 ARG D 92 76 TRP C Protein S 2 FT #SUB 191 175 LEU D 69 53 PRO C Protein S 1 FT #SUB 192 176 PRO D 70 54 CYS C Protein S 2 FT #SUB 192 176 PRO D 85 69 TYR C Protein S 3 FT #SUB 228 212 HIS D 91 75 TYR C Protein S 4 FT #SUB 229 213 HIS D 91 75 TYR C Protein S 5 FT #SUB 258 242 GLU D 87 71 TYR C Protein S 5 FT #SUB 258 242 GLU D 93 77 ARG C Protein S 5 FT #SUB 258 242 GLU D 94 78 ARG C Protein A 2 FT #SUB 258 242 GLU D 284 268 TRP C Protein A 8 FT #SUB 259 243 ASN D 284 268 TRP C Protein A 3 FT #SUB 259 243 ASN D 287 271 LYS C Protein S 5 FT #SUB 261 245 GLU D 287 271 LYS C Protein S 4 FT #SUB 278 262 GLU D 91 75 TYR C Protein S 4 FT #SUB 278 262 GLU D 92 76 TRP C Protein B 1 FT #SUB 279 263 ILE D 91 75 TYR C Protein S 5 FT #SUB 279 263 ILE D 92 76 TRP C Protein A 3 FT #SUB 284 268 TRP D 258 242 GLU C Protein S 9 FT #SUB 284 268 TRP D 259 243 ASN C Protein S 5 FT #SUB 285 269 ASP D 94 78 ARG C Protein S 1 FT #SUB 287 271 LYS D 259 243 ASN C Protein S 5 FT #SUB 287 271 LYS D 261 245 GLU C Protein S 4 FT #SUB 332 316 ASP D 92 76 TRP C Protein S 1 FT #SUB 400 384 TYR D 66 50 HIS C Protein S 1 FT #SUB 404 388 TYR D 65 49 GLU C Protein S 1 FT #SUB 404 388 TYR D 66 50 HIS C Protein S 6 FT #SUB 404 388 TYR D 69 53 PRO C Protein S 2 FT #SUB 404 388 TYR D 70 54 CYS C Protein S 3 FT #SUB 405 389 LEU D 91 75 TYR C Protein S 3 FT #SUB 407 391 VAL D 89 73 GLY C Protein S 1 FT #SUB 409 393 ARG D 81 65 ASP C Protein S 8 FT #SUB 415 399 MET D 81 65 ASP C Protein S 2 FT #SUB 415 399 MET D 84 68 GLN C Protein S 2 FT #SUB 415 399 MET D 85 69 TYR C Protein S 4 FT #SUB 415 399 MET D 88 72 ARG C Protein B 5 FT #SUB 416 400 TRP D 88 72 ARG C Protein A 6 FT #SUB 417 401 ASN D 88 72 ARG C Protein S 6 FT #SUB 417 401 ASN D 93 77 ARG C Protein A 6 FT #SUB 418 402 TRP D 91 75 TYR C Protein A 4 FT #HET 53 37 ASN D 20 502 CS2 D S 3 FT #HET 91 75 TYR D 13 502 CS2 C S 5 FT #HET 92 76 TRP D 13 502 CS2 C S 2 FT #HET 94 78 ARG D 15 504 CO2 C B 1 FT #HET 95 79 GLY D 15 504 CO2 C B 5 FT #HET 96 80 PRO D 15 504 CO2 C A 6 FT #HET 97 81 VAL D 15 504 CO2 C A 9 FT #HET 98 82 THR D 15 504 CO2 C A 4 FT #HET 138 122 HIS D 20 502 CS2 D S 1 FT #HET 163 147 ARG D 20 502 CS2 D S 3 FT #HET 197 181 TRP D 23 505 PDO D S 5 FT #HET 204 188 ASN D 21 503 PGE D B 1 FT #HET 206 190 VAL D 23 505 PDO D S 1 FT #HET 207 191 PRO D 21 503 PGE D S 2 FT #HET 208 192 LYS D 21 503 PGE D S 12 FT #HET 211 195 GLU D 21 503 PGE D S 4 FT #HET 219 203 PHE D 9 503 PGE B S 3 FT #HET 225 209 HIS D 23 505 PDO D S 5 FT #HET 226 210 ASP D 19 501 MG D S 3 FT #HET 226 210 ASP D 20 502 CS2 D S 4 FT #HET 226 210 ASP D 23 505 PDO D B 1 FT #HET 227 211 GLY D 23 505 PDO D B 1 FT #HET 228 212 HIS D 20 502 CS2 D S 5 FT #HET 230 214 ARG D 23 505 PDO D S 2 FT #HET 231 215 TYR D 23 505 PDO D S 4 FT #HET 246 230 TYR D 21 503 PGE D S 1 FT #HET 252 236 GLU D 19 501 MG D S 3 FT #HET 252 236 GLU D 20 502 CS2 D S 2 FT #HET 278 262 GLU D 19 501 MG D S 3 FT #HET 278 262 GLU D 20 502 CS2 D S 9 FT #HET 287 271 LYS D 22 504 CO2 D S 4 FT #HET 288 272 ASP D 22 504 CO2 D S 9 FT #HET 299 283 ARG D 19 501 MG D S 1 FT #HET 299 283 ARG D 20 502 CS2 D S 1 FT #HET 328 312 HIS D 20 502 CS2 D S 4 FT #HET 330 314 PRO D 20 502 CS2 D S 3 FT #HET 332 316 ASP D 20 502 CS2 D S 7 FT #HET 355 339 GLU D 20 502 CS2 D S 8 FT #HET 405 389 LEU D 20 502 CS2 D S 4 FT #HET 418 402 TRP D 20 502 CS2 D S 2 FT DISORDER 1 15 FT DISORDER 172 190 CC SEQUENCE 384 AA (ATOM); CC HMKITAARVI ITCPGRNFVT LKIETDQGVY GIGDATLNGR ELSVVAYLQE HVAPCLIGMD CC PRRIEDIWQY VYRGAYWRRG PVTMRAIAAV DMALWDIKAK MAGMPLYQLL GGRSRDGIMV CC YGHANGSDIA ETVEAVGHYI DMGYKAIRAQ TGVPGILPSV TGWDTRKALN YVPKLFEELR CC KTYGFDHHLL HDGHHRYTPQ EAANLGKMLE PYQLFWLEDC TPAENQEAFR LVRQHTVTPL CC AVGEIFNTIW DAKDLIQNQL IDYIRATVVG AGGLTHLRRI ADLASLYQVR TGCHGPTDLS CC PVTMGCALHF DTWVPNFGIQ EYMRHTEETD AVFPHDYWFE KGELFVGETP GHGVDIDEEL CC AAKYPYKPAY LPVARLEDGT MWNW CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES HHHHHHSSGLVPRGSHMKITAARVIITCPGRNFVTLKIETDQGVYGIGDA CC ATOM ---------------HMKITAARVIITCPGRNFVTLKIETDQGVYGIGDA CC *********************************** CC SEQRES TLNGRELSVVAYLQEHVAPCLIGMDPRRIEDIWQYVYRGAYWRRGPVTMR CC ATOM TLNGRELSVVAYLQEHVAPCLIGMDPRRIEDIWQYVYRGAYWRRGPVTMR CC ************************************************** CC SEQRES AIAAVDMALWDIKAKMAGMPLYQLLGGRSRDGIMVYGHANGSDIAETVEA CC ATOM AIAAVDMALWDIKAKMAGMPLYQLLGGRSRDGIMVYGHANGSDIAETVEA CC ************************************************** CC SEQRES VGHYIDMGYKAIRAQTGVPGIKDAYGVGRGKLYYEPADASLPSVTGWDTR CC ATOM VGHYIDMGYKAIRAQTGVPGI-------------------LPSVTGWDTR CC ********************* ********** CC SEQRES KALNYVPKLFEELRKTYGFDHHLLHDGHHRYTPQEAANLGKMLEPYQLFW CC ATOM KALNYVPKLFEELRKTYGFDHHLLHDGHHRYTPQEAANLGKMLEPYQLFW CC ************************************************** CC SEQRES LEDCTPAENQEAFRLVRQHTVTPLAVGEIFNTIWDAKDLIQNQLIDYIRA CC ATOM LEDCTPAENQEAFRLVRQHTVTPLAVGEIFNTIWDAKDLIQNQLIDYIRA CC ************************************************** CC SEQRES TVVGAGGLTHLRRIADLASLYQVRTGCHGPTDLSPVTMGCALHFDTWVPN CC ATOM TVVGAGGLTHLRRIADLASLYQVRTGCHGPTDLSPVTMGCALHFDTWVPN CC ************************************************** CC SEQRES FGIQEYMRHTEETDAVFPHDYWFEKGELFVGETPGHGVDIDEELAAKYPY CC ATOM FGIQEYMRHTEETDAVFPHDYWFEKGELFVGETPGHGVDIDEELAAKYPY CC ************************************************** CC SEQRES KPAYLPVARLEDGTMWNW CC ATOM KPAYLPVARLEDGTMWNW CC ****************** SQ SEQUENCE 418 AA; MW; CN; HHHHHHSSGL VPRGSHMKIT AARVIITCPG RNFVTLKIET DQGVYGIGDA TLNGRELSVV AYLQEHVAPC LIGMDPRRIE DIWQYVYRGA YWRRGPVTMR AIAAVDMALW DIKAKMAGMP LYQLLGGRSR DGIMVYGHAN GSDIAETVEA VGHYIDMGYK AIRAQTGVPG IKDAYGVGRG KLYYEPADAS LPSVTGWDTR KALNYVPKLF EELRKTYGFD HHLLHDGHHR YTPQEAANLG KMLEPYQLFW LEDCTPAENQ EAFRLVRQHT VTPLAVGEIF NTIWDAKDLI QNQLIDYIRA TVVGAGGLTH LRRIADLASL YQVRTGCHGP TDLSPVTMGC ALHFDTWVPN FGIQEYMRHT EETDAVFPHD YWFEKGELFV GETPGHGVDI DEELAAKYPY KPAYLPVARL EDGTMWNW //