ID 4MJLA STANDARD; PRT; 351 AA. DT CONVERTED FROM PDB (SEQRES) 4MJL DE Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase OS Lactobacillus casei CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.600 CC R-Factor 0.172 FT #SUB 246 234 TYR A 273 261 ARG B Protein S 9 FT #SUB 246 234 TYR A 274 262 SER B Protein S 3 FT #SUB 246 234 TYR A 275 263 ASN B Protein A 2 FT #SUB 246 234 TYR A 276 264 ALA B Protein B 3 FT #SUB 249 237 GLU A 273 261 ARG B Protein S 9 FT #SUB 251 239 LYS A 273 261 ARG B Protein S 2 FT #SUB 273 261 ARG A 246 234 TYR B Protein A 11 FT #SUB 273 261 ARG A 249 237 GLU B Protein S 9 FT #SUB 273 261 ARG A 251 239 LYS B Protein S 3 FT #SUB 273 261 ARG A 265 253 ASN B Protein S 1 FT #SUB 274 262 SER A 246 234 TYR B Protein B 3 FT #SUB 275 263 ASN A 246 234 TYR B Protein B 2 FT #SUB 276 264 ALA A 246 234 TYR B Protein B 3 FT #SUB 276 264 ALA A 281 269 ALA B Protein B 2 FT #SUB 276 264 ALA A 282 270 VAL B Protein B 6 FT #SUB 276 264 ALA A 284 272 MET B Protein S 1 FT #SUB 277 265 ASN A 279 267 GLN B Protein S 3 FT #SUB 277 265 ASN A 280 268 THR B Protein A 5 FT #SUB 277 265 ASN A 281 269 ALA B Protein S 2 FT #SUB 277 265 ASN A 282 270 VAL B Protein B 4 FT #SUB 278 266 GLN A 265 253 ASN B Protein S 5 FT #SUB 278 266 GLN A 279 267 GLN B Protein B 3 FT #SUB 278 266 GLN A 280 268 THR B Protein A 6 FT #SUB 278 266 GLN A 282 270 VAL B Protein B 1 FT #SUB 279 267 GLN A 277 265 ASN B Protein S 4 FT #SUB 279 267 GLN A 278 266 GLN B Protein A 3 FT #SUB 279 267 GLN A 279 267 GLN B Protein S 2 FT #SUB 280 268 THR A 277 265 ASN B Protein B 6 FT #SUB 280 268 THR A 278 266 GLN B Protein A 5 FT #SUB 281 269 ALA A 276 264 ALA B Protein B 2 FT #SUB 281 269 ALA A 277 265 ASN B Protein B 2 FT #SUB 282 270 VAL A 276 264 ALA B Protein A 6 FT #SUB 282 270 VAL A 277 265 ASN B Protein S 4 FT #SUB 282 270 VAL A 278 266 GLN B Protein S 1 FT #SUB 284 272 MET A 276 264 ALA B Protein S 2 FT #SUB 159 147 ALA A 210 198 ARG C Protein S 2 FT #SUB 160 148 PRO A 210 198 ARG C Protein B 2 FT #SUB 161 149 LEU A 209 197 PRO C Protein B 1 FT #SUB 161 149 LEU A 210 198 ARG C Protein S 2 FT #SUB 161 149 LEU A 212 200 SER C Protein S 1 FT #SUB 161 149 LEU A 223 211 PRO C Protein S 1 FT #SUB 161 149 LEU A 241 229 HIS C Protein S 2 FT #SUB 162 150 VAL A 209 197 PRO C Protein S 2 FT #SUB 164 152 ARG A 165 153 ALA C Protein S 4 FT #SUB 164 152 ARG A 166 154 SER C Protein S 1 FT #SUB 164 152 ARG A 237 225 GLN C Protein S 4 FT #SUB 164 152 ARG A 238 226 VAL C Protein S 2 FT #SUB 164 152 ARG A 239 227 LEU C Protein S 3 FT #SUB 165 153 ALA A 164 152 ARG C Protein B 5 FT #SUB 166 154 SER A 164 152 ARG C Protein S 1 FT #SUB 168 156 ILE A 260 248 GLU C Protein S 1 FT #SUB 209 197 PRO A 161 149 LEU C Protein S 1 FT #SUB 209 197 PRO A 162 150 VAL C Protein S 2 FT #SUB 209 197 PRO A 233 221 GLY C Protein B 2 FT #SUB 209 197 PRO A 235 223 VAL C Protein A 2 FT #SUB 210 198 ARG A 159 147 ALA C Protein S 3 FT #SUB 210 198 ARG A 160 148 PRO C Protein S 2 FT #SUB 210 198 ARG A 161 149 LEU C Protein A 3 FT #SUB 210 198 ARG A 232 220 LYS C Protein S 6 FT #SUB 210 198 ARG A 233 221 GLY C Protein A 8 FT #SUB 210 198 ARG A 234 222 THR C Protein S 3 FT #SUB 212 200 SER A 161 149 LEU C Protein S 1 FT #SUB 212 200 SER A 257 245 GLU C Protein A 4 FT #SUB 213 201 ALA A 257 245 GLU C Protein A 5 FT #SUB 214 202 GLU A 257 245 GLU C Protein S 1 FT #SUB 214 202 GLU A 258 246 THR C Protein S 1 FT #SUB 223 211 PRO A 161 149 LEU C Protein S 1 FT #SUB 225 213 LEU A 235 223 VAL C Protein S 2 FT #SUB 225 213 LEU A 237 225 GLN C Protein S 1 FT #SUB 232 220 LYS A 210 198 ARG C Protein A 6 FT #SUB 233 221 GLY A 209 197 PRO C Protein B 2 FT #SUB 233 221 GLY A 210 198 ARG C Protein B 6 FT #SUB 234 222 THR A 210 198 ARG C Protein A 2 FT #SUB 235 223 VAL A 209 197 PRO C Protein S 2 FT #SUB 235 223 VAL A 225 213 LEU C Protein S 2 FT #SUB 237 225 GLN A 164 152 ARG C Protein A 4 FT #SUB 237 225 GLN A 225 213 LEU C Protein S 1 FT #SUB 237 225 GLN A 237 225 GLN C Protein S 1 FT #SUB 238 226 VAL A 164 152 ARG C Protein B 2 FT #SUB 239 227 LEU A 164 152 ARG C Protein A 3 FT #SUB 239 227 LEU A 255 243 ILE C Protein S 2 FT #SUB 241 229 HIS A 161 149 LEU C Protein S 2 FT #SUB 241 229 HIS A 255 243 ILE C Protein S 2 FT #SUB 241 229 HIS A 256 244 GLY C Protein S 2 FT #SUB 243 231 THR A 257 245 GLU C Protein B 1 FT #SUB 244 232 ALA A 257 245 GLU C Protein B 2 FT #SUB 244 232 ALA A 258 246 THR C Protein B 3 FT #SUB 244 232 ALA A 259 247 GLY C Protein B 1 FT #SUB 245 233 GLN A 257 245 GLU C Protein S 1 FT #SUB 245 233 GLN A 258 246 THR C Protein S 3 FT #SUB 246 234 TYR A 258 246 THR C Protein S 1 FT #SUB 246 234 TYR A 260 248 GLU C Protein S 6 FT #SUB 251 239 LYS A 253 241 GLU C Protein S 1 FT #SUB 251 239 LYS A 260 248 GLU C Protein S 4 FT #SUB 253 241 GLU A 251 239 LYS C Protein S 1 FT #SUB 255 243 ILE A 239 227 LEU C Protein S 2 FT #SUB 255 243 ILE A 241 229 HIS C Protein S 2 FT #SUB 256 244 GLY A 241 229 HIS C Protein B 1 FT #SUB 257 245 GLU A 212 200 SER C Protein S 4 FT #SUB 257 245 GLU A 213 201 ALA C Protein S 5 FT #SUB 257 245 GLU A 214 202 GLU C Protein B 1 FT #SUB 257 245 GLU A 243 231 THR C Protein B 1 FT #SUB 257 245 GLU A 244 232 ALA C Protein B 2 FT #SUB 257 245 GLU A 245 233 GLN C Protein B 1 FT #SUB 258 246 THR A 214 202 GLU C Protein S 2 FT #SUB 258 246 THR A 244 232 ALA C Protein B 3 FT #SUB 258 246 THR A 245 233 GLN C Protein A 4 FT #SUB 258 246 THR A 246 234 TYR C Protein B 1 FT #SUB 259 247 GLY A 244 232 ALA C Protein B 1 FT #SUB 260 248 GLU A 168 156 ILE C Protein S 1 FT #SUB 260 248 GLU A 246 234 TYR C Protein S 6 FT #SUB 260 248 GLU A 251 239 LYS C Protein S 4 FT #SUB 36 24 VAL A 38 26 THR D Protein B 1 FT #SUB 37 25 LEU A 38 26 THR D Protein B 2 FT #SUB 38 26 THR A 35 23 ASN D Protein S 1 FT #SUB 38 26 THR A 36 24 VAL D Protein S 1 FT #SUB 38 26 THR A 37 25 LEU D Protein S 3 FT #SUB 38 26 THR A 38 26 THR D Protein B 2 FT #SUB 143 131 GLN A 268 256 LEU D Protein S 1 FT #SUB 144 132 GLY A 268 256 LEU D Protein B 1 FT #SUB 147 135 ALA A 270 258 PRO D Protein B 2 FT #SUB 148 136 LEU A 270 258 PRO D Protein B 1 FT #SUB 151 139 LYS A 270 258 PRO D Protein S 1 FT #SUB 156 144 ILE A 272 260 LEU D Protein S 1 FT #SUB 157 145 ILE A 272 260 LEU D Protein S 1 FT #SUB 259 247 GLY A 273 261 ARG D Protein B 2 FT #SUB 260 248 GLU A 271 259 ILE D Protein B 1 FT #SUB 260 248 GLU A 272 260 LEU D Protein B 3 FT #SUB 260 248 GLU A 273 261 ARG D Protein A 7 FT #SUB 261 249 LEU A 270 258 PRO D Protein S 1 FT #SUB 261 249 LEU A 271 259 ILE D Protein B 2 FT #SUB 261 249 LEU A 272 260 LEU D Protein S 1 FT #SUB 262 250 GLN A 270 258 PRO D Protein B 3 FT #SUB 262 250 GLN A 271 259 ILE D Protein A 7 FT #SUB 262 250 GLN A 273 261 ARG D Protein S 2 FT #SUB 264 252 PRO A 268 256 LEU D Protein S 2 FT #SUB 264 252 PRO A 269 257 GLY D Protein S 3 FT #SUB 264 252 PRO A 271 259 ILE D Protein B 1 FT #SUB 268 256 LEU A 143 131 GLN D Protein S 2 FT #SUB 268 256 LEU A 144 132 GLY D Protein B 1 FT #SUB 268 256 LEU A 264 252 PRO D Protein B 2 FT #SUB 269 257 GLY A 264 252 PRO D Protein B 2 FT #SUB 270 258 PRO A 147 135 ALA D Protein S 2 FT #SUB 270 258 PRO A 148 136 LEU D Protein S 1 FT #SUB 270 258 PRO A 151 139 LYS D Protein S 1 FT #SUB 270 258 PRO A 261 249 LEU D Protein S 2 FT #SUB 270 258 PRO A 262 250 GLN D Protein A 3 FT #SUB 271 259 ILE A 260 248 GLU D Protein B 1 FT #SUB 271 259 ILE A 261 249 LEU D Protein B 3 FT #SUB 271 259 ILE A 262 250 GLN D Protein A 6 FT #SUB 271 259 ILE A 264 252 PRO D Protein S 1 FT #SUB 272 260 LEU A 157 145 ILE D Protein S 1 FT #SUB 272 260 LEU A 260 248 GLU D Protein A 3 FT #SUB 272 260 LEU A 261 249 LEU D Protein S 1 FT #SUB 273 261 ARG A 259 247 GLY D Protein B 2 FT #SUB 273 261 ARG A 260 248 GLU D Protein A 9 FT #SUB 273 261 ARG A 262 250 GLN D Protein S 1 FT #HET 21 9 GLY A 1 401 NAD A B 3 FT #HET 22 10 THR A 1 401 NAD A B 1 FT #HET 23 11 GLY A 1 401 NAD A B 9 FT #HET 24 12 ALA A 1 401 NAD A A 6 FT #HET 25 13 MET A 1 401 NAD A A 14 FT #HET 38 26 THR A 4 404 SO4 A A 6 FT #HET 39 27 GLY A 4 404 SO4 A B 4 FT #HET 47 35 ASP A 1 401 NAD A A 18 FT #HET 48 36 ILE A 1 401 NAD A A 16 FT #HET 85 73 VAL A 1 401 NAD A A 8 FT #HET 86 74 SER A 1 401 NAD A A 12 FT #HET 87 75 PHE A 1 401 NAD A A 9 FT #HET 88 76 GLY A 1 401 NAD A B 2 FT #HET 90 78 ALA A 1 401 NAD A S 1 FT #HET 91 79 HIS A 1 401 NAD A S 2 FT #HET 108 96 GLU A 1 401 NAD A S 11 FT #HET 109 97 LYS A 1 401 NAD A A 6 FT #HET 136 124 GLY A 1 401 NAD A B 1 FT #HET 138 126 MET A 1 401 NAD A S 1 FT #HET 159 147 ALA A 14 405 SO4 C A 2 FT #HET 160 148 PRO A 14 405 SO4 C S 2 FT #HET 164 152 ARG A 3 403 GOL A S 10 FT #HET 164 152 ARG A 13 404 GOL C A 8 FT #HET 165 153 ALA A 13 404 GOL C B 4 FT #HET 166 154 SER A 13 404 GOL C A 5 FT #HET 188 176 HIS A 1 401 NAD A S 2 FT #HET 210 198 ARG A 5 405 SO4 A S 8 FT #HET 232 220 LYS A 14 405 SO4 C S 7 FT #HET 251 239 LYS A 13 404 GOL C A 3 FT #HET 252 240 LEU A 13 404 GOL C B 3 FT #HET 253 241 GLU A 3 403 GOL A S 4 FT #HET 253 241 GLU A 13 404 GOL C A 4 FT #HET 271 259 ILE A 2 402 GOL A S 2 FT #HET 278 266 GLN A 2 402 GOL A A 11 FT #HET 279 267 GLN A 2 402 GOL A B 3 FT #HET 280 268 THR A 2 402 GOL A A 6 FT #HET 286 274 TRP A 1 401 NAD A S 3 FT #HET 294 282 TYR A 1 401 NAD A S 5 FT DISORDER 1 12 CC SEQUENCE 339 AA (ATOM); CC MVVKVGVIGT GAMGRAHIDR LTNVLTGAEV VAVTDIDHEA AEAAVRDFHL NAKVYPDDTS CC LLQDPDIDAV FVVSFGGAHE ATVLKALDTD KFIFTEKPLA TTLEGAKRIV DKELTKSKKV CC IQVGFMRRYD QGIRALKEKL DTGIIGAPLV VRASHINPNV ASNYSNEMAI TDTLIHEIDE CC MHWLLDDEYT SIQITYPRQS AEVRNEGLHD PQLATLTTKK GTVIQVLVHV TAQYGYEVKL CC EVIGETGELQ LPNYGLGPIL RSNANQQTAV EMSWINRFIQ AYNTEVQEFI DEVAKSEPPV CC GPSAWDGYIA AITAAAANRS QKDQETVLIN VAGTPTFYQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MRGSHHHHHHGSMVVKVGVIGTGAMGRAHIDRLTNVLTGAEVVAVTDIDH CC ATOM ------------MVVKVGVIGTGAMGRAHIDRLTNVLTGAEVVAVTDIDH CC ************************************** CC SEQRES EAAEAAVRDFHLNAKVYPDDTSLLQDPDIDAVFVVSFGGAHEATVLKALD CC ATOM EAAEAAVRDFHLNAKVYPDDTSLLQDPDIDAVFVVSFGGAHEATVLKALD CC ************************************************** CC SEQRES TDKFIFTEKPLATTLEGAKRIVDKELTKSKKVIQVGFMRRYDQGIRALKE CC ATOM TDKFIFTEKPLATTLEGAKRIVDKELTKSKKVIQVGFMRRYDQGIRALKE CC ************************************************** CC SEQRES KLDTGIIGAPLVVRASHINPNVASNYSNEMAITDTLIHEIDEMHWLLDDE CC ATOM KLDTGIIGAPLVVRASHINPNVASNYSNEMAITDTLIHEIDEMHWLLDDE CC ************************************************** CC SEQRES YTSIQITYPRQSAEVRNEGLHDPQLATLTTKKGTVIQVLVHVTAQYGYEV CC ATOM YTSIQITYPRQSAEVRNEGLHDPQLATLTTKKGTVIQVLVHVTAQYGYEV CC ************************************************** CC SEQRES KLEVIGETGELQLPNYGLGPILRSNANQQTAVEMSWINRFIQAYNTEVQE CC ATOM KLEVIGETGELQLPNYGLGPILRSNANQQTAVEMSWINRFIQAYNTEVQE CC ************************************************** CC SEQRES FIDEVAKSEPPVGPSAWDGYIAAITAAAANRSQKDQETVLINVAGTPTFY CC ATOM FIDEVAKSEPPVGPSAWDGYIAAITAAAANRSQKDQETVLINVAGTPTFY CC ************************************************** CC SEQRES Q CC ATOM Q CC * SQ SEQUENCE 351 AA; MW; CN; MRGSHHHHHH GSMVVKVGVI GTGAMGRAHI DRLTNVLTGA EVVAVTDIDH EAAEAAVRDF HLNAKVYPDD TSLLQDPDID AVFVVSFGGA HEATVLKALD TDKFIFTEKP LATTLEGAKR IVDKELTKSK KVIQVGFMRR YDQGIRALKE KLDTGIIGAP LVVRASHINP NVASNYSNEM AITDTLIHEI DEMHWLLDDE YTSIQITYPR QSAEVRNEGL HDPQLATLTT KKGTVIQVLV HVTAQYGYEV KLEVIGETGE LQLPNYGLGP ILRSNANQQT AVEMSWINRF IQAYNTEVQE FIDEVAKSEP PVGPSAWDGY IAAITAAAAN RSQKDQETVL INVAGTPTFY Q // ID 4MJLB STANDARD; PRT; 351 AA. DT CONVERTED FROM PDB (SEQRES) 4MJL DE Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase OS Lactobacillus casei CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.600 CC R-Factor 0.172 FT #SUB 246 234 TYR B 273 261 ARG A Protein S 11 FT #SUB 246 234 TYR B 274 262 SER A Protein S 3 FT #SUB 246 234 TYR B 275 263 ASN A Protein A 2 FT #SUB 246 234 TYR B 276 264 ALA A Protein B 3 FT #SUB 249 237 GLU B 273 261 ARG A Protein S 9 FT #SUB 251 239 LYS B 273 261 ARG A Protein S 3 FT #SUB 265 253 ASN B 273 261 ARG A Protein S 1 FT #SUB 265 253 ASN B 278 266 GLN A Protein S 5 FT #SUB 273 261 ARG B 246 234 TYR A Protein A 9 FT #SUB 273 261 ARG B 249 237 GLU A Protein S 9 FT #SUB 273 261 ARG B 251 239 LYS A Protein S 2 FT #SUB 274 262 SER B 246 234 TYR A Protein B 3 FT #SUB 275 263 ASN B 246 234 TYR A Protein B 2 FT #SUB 276 264 ALA B 246 234 TYR A Protein B 3 FT #SUB 276 264 ALA B 281 269 ALA A Protein B 2 FT #SUB 276 264 ALA B 282 270 VAL A Protein B 6 FT #SUB 276 264 ALA B 284 272 MET A Protein A 2 FT #SUB 277 265 ASN B 279 267 GLN A Protein S 4 FT #SUB 277 265 ASN B 280 268 THR A Protein A 6 FT #SUB 277 265 ASN B 281 269 ALA A Protein S 2 FT #SUB 277 265 ASN B 282 270 VAL A Protein B 4 FT #SUB 278 266 GLN B 279 267 GLN A Protein B 3 FT #SUB 278 266 GLN B 280 268 THR A Protein B 5 FT #SUB 278 266 GLN B 282 270 VAL A Protein B 1 FT #SUB 279 267 GLN B 277 265 ASN A Protein S 3 FT #SUB 279 267 GLN B 278 266 GLN A Protein A 3 FT #SUB 279 267 GLN B 279 267 GLN A Protein S 2 FT #SUB 280 268 THR B 277 265 ASN A Protein B 5 FT #SUB 280 268 THR B 278 266 GLN A Protein A 6 FT #SUB 281 269 ALA B 276 264 ALA A Protein B 2 FT #SUB 281 269 ALA B 277 265 ASN A Protein B 2 FT #SUB 282 270 VAL B 276 264 ALA A Protein A 6 FT #SUB 282 270 VAL B 277 265 ASN A Protein S 4 FT #SUB 282 270 VAL B 278 266 GLN A Protein S 1 FT #SUB 284 272 MET B 276 264 ALA A Protein S 1 FT #SUB 35 23 ASN B 38 26 THR C Protein B 1 FT #SUB 37 25 LEU B 38 26 THR C Protein B 2 FT #SUB 38 26 THR B 35 23 ASN C Protein S 2 FT #SUB 38 26 THR B 36 24 VAL C Protein S 2 FT #SUB 38 26 THR B 37 25 LEU C Protein S 2 FT #SUB 143 131 GLN B 268 256 LEU C Protein S 2 FT #SUB 144 132 GLY B 268 256 LEU C Protein B 1 FT #SUB 147 135 ALA B 269 257 GLY C Protein S 1 FT #SUB 147 135 ALA B 270 258 PRO C Protein B 3 FT #SUB 148 136 LEU B 270 258 PRO C Protein B 1 FT #SUB 151 139 LYS B 270 258 PRO C Protein S 1 FT #SUB 156 144 ILE B 272 260 LEU C Protein S 1 FT #SUB 157 145 ILE B 272 260 LEU C Protein S 1 FT #SUB 259 247 GLY B 273 261 ARG C Protein B 2 FT #SUB 260 248 GLU B 271 259 ILE C Protein B 1 FT #SUB 260 248 GLU B 272 260 LEU C Protein B 3 FT #SUB 260 248 GLU B 273 261 ARG C Protein A 8 FT #SUB 261 249 LEU B 270 258 PRO C Protein S 2 FT #SUB 261 249 LEU B 271 259 ILE C Protein A 3 FT #SUB 261 249 LEU B 272 260 LEU C Protein S 1 FT #SUB 262 250 GLN B 270 258 PRO C Protein B 3 FT #SUB 262 250 GLN B 271 259 ILE C Protein B 5 FT #SUB 262 250 GLN B 273 261 ARG C Protein S 1 FT #SUB 264 252 PRO B 268 256 LEU C Protein S 2 FT #SUB 264 252 PRO B 269 257 GLY C Protein S 2 FT #SUB 268 256 LEU B 143 131 GLN C Protein S 2 FT #SUB 268 256 LEU B 144 132 GLY C Protein B 1 FT #SUB 268 256 LEU B 264 252 PRO C Protein B 2 FT #SUB 269 257 GLY B 264 252 PRO C Protein B 2 FT #SUB 270 258 PRO B 147 135 ALA C Protein S 3 FT #SUB 270 258 PRO B 148 136 LEU C Protein S 1 FT #SUB 270 258 PRO B 151 139 LYS C Protein S 2 FT #SUB 270 258 PRO B 261 249 LEU C Protein S 2 FT #SUB 270 258 PRO B 262 250 GLN C Protein A 3 FT #SUB 271 259 ILE B 260 248 GLU C Protein B 1 FT #SUB 271 259 ILE B 261 249 LEU C Protein B 3 FT #SUB 271 259 ILE B 262 250 GLN C Protein A 5 FT #SUB 272 260 LEU B 156 144 ILE C Protein S 1 FT #SUB 272 260 LEU B 157 145 ILE C Protein S 1 FT #SUB 272 260 LEU B 260 248 GLU C Protein A 3 FT #SUB 272 260 LEU B 261 249 LEU C Protein S 1 FT #SUB 273 261 ARG B 259 247 GLY C Protein B 2 FT #SUB 273 261 ARG B 260 248 GLU C Protein A 8 FT #SUB 273 261 ARG B 262 250 GLN C Protein S 2 FT #SUB 159 147 ALA B 210 198 ARG D Protein S 3 FT #SUB 160 148 PRO B 210 198 ARG D Protein A 5 FT #SUB 161 149 LEU B 209 197 PRO D Protein B 1 FT #SUB 161 149 LEU B 210 198 ARG D Protein S 5 FT #SUB 161 149 LEU B 212 200 SER D Protein S 1 FT #SUB 161 149 LEU B 223 211 PRO D Protein S 1 FT #SUB 162 150 VAL B 209 197 PRO D Protein S 2 FT #SUB 164 152 ARG B 165 153 ALA D Protein S 5 FT #SUB 164 152 ARG B 166 154 SER D Protein S 1 FT #SUB 164 152 ARG B 237 225 GLN D Protein S 5 FT #SUB 164 152 ARG B 238 226 VAL D Protein S 2 FT #SUB 164 152 ARG B 239 227 LEU D Protein S 3 FT #SUB 165 153 ALA B 164 152 ARG D Protein B 5 FT #SUB 166 154 SER B 164 152 ARG D Protein S 1 FT #SUB 168 156 ILE B 260 248 GLU D Protein S 2 FT #SUB 209 197 PRO B 161 149 LEU D Protein S 1 FT #SUB 209 197 PRO B 162 150 VAL D Protein S 2 FT #SUB 209 197 PRO B 233 221 GLY D Protein B 2 FT #SUB 209 197 PRO B 235 223 VAL D Protein A 2 FT #SUB 210 198 ARG B 159 147 ALA D Protein S 3 FT #SUB 210 198 ARG B 160 148 PRO D Protein S 3 FT #SUB 210 198 ARG B 161 149 LEU D Protein A 4 FT #SUB 210 198 ARG B 232 220 LYS D Protein S 4 FT #SUB 210 198 ARG B 233 221 GLY D Protein A 9 FT #SUB 210 198 ARG B 234 222 THR D Protein S 3 FT #SUB 212 200 SER B 161 149 LEU D Protein S 1 FT #SUB 212 200 SER B 257 245 GLU D Protein A 4 FT #SUB 213 201 ALA B 257 245 GLU D Protein A 5 FT #SUB 214 202 GLU B 257 245 GLU D Protein S 1 FT #SUB 214 202 GLU B 258 246 THR D Protein S 2 FT #SUB 223 211 PRO B 161 149 LEU D Protein S 1 FT #SUB 225 213 LEU B 235 223 VAL D Protein S 2 FT #SUB 225 213 LEU B 237 225 GLN D Protein S 1 FT #SUB 232 220 LYS B 210 198 ARG D Protein B 3 FT #SUB 233 221 GLY B 209 197 PRO D Protein B 2 FT #SUB 233 221 GLY B 210 198 ARG D Protein B 5 FT #SUB 234 222 THR B 210 198 ARG D Protein A 3 FT #SUB 235 223 VAL B 209 197 PRO D Protein S 2 FT #SUB 235 223 VAL B 225 213 LEU D Protein S 2 FT #SUB 237 225 GLN B 164 152 ARG D Protein A 4 FT #SUB 237 225 GLN B 225 213 LEU D Protein S 1 FT #SUB 237 225 GLN B 237 225 GLN D Protein S 1 FT #SUB 238 226 VAL B 164 152 ARG D Protein B 2 FT #SUB 239 227 LEU B 164 152 ARG D Protein A 3 FT #SUB 239 227 LEU B 255 243 ILE D Protein S 2 FT #SUB 241 229 HIS B 161 149 LEU D Protein S 2 FT #SUB 241 229 HIS B 255 243 ILE D Protein S 2 FT #SUB 241 229 HIS B 256 244 GLY D Protein S 1 FT #SUB 243 231 THR B 257 245 GLU D Protein B 1 FT #SUB 244 232 ALA B 257 245 GLU D Protein B 2 FT #SUB 244 232 ALA B 258 246 THR D Protein B 3 FT #SUB 244 232 ALA B 259 247 GLY D Protein B 1 FT #SUB 245 233 GLN B 257 245 GLU D Protein S 1 FT #SUB 245 233 GLN B 258 246 THR D Protein S 3 FT #SUB 246 234 TYR B 258 246 THR D Protein S 1 FT #SUB 246 234 TYR B 260 248 GLU D Protein S 6 FT #SUB 251 239 LYS B 253 241 GLU D Protein S 1 FT #SUB 251 239 LYS B 260 248 GLU D Protein S 4 FT #SUB 253 241 GLU B 251 239 LYS D Protein S 2 FT #SUB 255 243 ILE B 239 227 LEU D Protein S 2 FT #SUB 255 243 ILE B 241 229 HIS D Protein S 2 FT #SUB 256 244 GLY B 241 229 HIS D Protein B 1 FT #SUB 257 245 GLU B 212 200 SER D Protein S 3 FT #SUB 257 245 GLU B 213 201 ALA D Protein S 5 FT #SUB 257 245 GLU B 214 202 GLU D Protein B 1 FT #SUB 257 245 GLU B 243 231 THR D Protein B 1 FT #SUB 257 245 GLU B 244 232 ALA D Protein B 2 FT #SUB 257 245 GLU B 245 233 GLN D Protein B 1 FT #SUB 258 246 THR B 214 202 GLU D Protein S 2 FT #SUB 258 246 THR B 244 232 ALA D Protein B 3 FT #SUB 258 246 THR B 245 233 GLN D Protein B 3 FT #SUB 258 246 THR B 246 234 TYR D Protein B 1 FT #SUB 259 247 GLY B 244 232 ALA D Protein B 1 FT #SUB 260 248 GLU B 168 156 ILE D Protein S 1 FT #SUB 260 248 GLU B 246 234 TYR D Protein S 5 FT #SUB 260 248 GLU B 251 239 LYS D Protein S 3 FT #HET 20 8 ILE B 6 401 NAD B S 1 FT #HET 21 9 GLY B 6 401 NAD B B 3 FT #HET 22 10 THR B 6 401 NAD B B 1 FT #HET 23 11 GLY B 6 401 NAD B B 10 FT #HET 24 12 ALA B 6 401 NAD B A 8 FT #HET 25 13 MET B 6 401 NAD B A 9 FT #HET 36 24 VAL B 12 403 GOL C S 1 FT #HET 47 35 ASP B 6 401 NAD B A 18 FT #HET 48 36 ILE B 6 401 NAD B A 15 FT #HET 85 73 VAL B 6 401 NAD B B 5 FT #HET 86 74 SER B 6 401 NAD B A 15 FT #HET 87 75 PHE B 6 401 NAD B A 12 FT #HET 88 76 GLY B 6 401 NAD B B 2 FT #HET 90 78 ALA B 6 401 NAD B S 1 FT #HET 91 79 HIS B 6 401 NAD B S 3 FT #HET 108 96 GLU B 6 401 NAD B S 12 FT #HET 109 97 LYS B 6 401 NAD B A 15 FT #HET 110 98 PRO B 6 401 NAD B S 1 FT #HET 136 124 GLY B 6 401 NAD B B 1 FT #HET 138 126 MET B 6 401 NAD B S 2 FT #HET 152 140 LEU B 7 402 GOL B B 1 FT #HET 153 141 ASP B 7 402 GOL B A 5 FT #HET 158 146 GLY B 7 402 GOL B B 4 FT #HET 159 147 ALA B 7 402 GOL B A 3 FT #HET 160 148 PRO B 7 402 GOL B S 1 FT #HET 188 176 HIS B 6 401 NAD B S 3 FT #HET 210 198 ARG B 8 403 SO4 B S 8 FT #HET 278 266 GLN B 2 402 GOL A A 7 FT #HET 279 267 GLN B 2 402 GOL A B 2 FT #HET 280 268 THR B 2 402 GOL A A 6 FT #HET 286 274 TRP B 6 401 NAD B S 1 FT #HET 294 282 TYR B 6 401 NAD B S 6 FT DISORDER 1 12 CC SEQUENCE 339 AA (ATOM); CC MVVKVGVIGT GAMGRAHIDR LTNVLTGAEV VAVTDIDHEA AEAAVRDFHL NAKVYPDDTS CC LLQDPDIDAV FVVSFGGAHE ATVLKALDTD KFIFTEKPLA TTLEGAKRIV DKELTKSKKV CC IQVGFMRRYD QGIRALKEKL DTGIIGAPLV VRASHINPNV ASNYSNEMAI TDTLIHEIDE CC MHWLLDDEYT SIQITYPRQS AEVRNEGLHD PQLATLTTKK GTVIQVLVHV TAQYGYEVKL CC EVIGETGELQ LPNYGLGPIL RSNANQQTAV EMSWINRFIQ AYNTEVQEFI DEVAKSEPPV CC GPSAWDGYIA AITAAAANRS QKDQETVLIN VAGTPTFYQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MRGSHHHHHHGSMVVKVGVIGTGAMGRAHIDRLTNVLTGAEVVAVTDIDH CC ATOM ------------MVVKVGVIGTGAMGRAHIDRLTNVLTGAEVVAVTDIDH CC ************************************** CC SEQRES EAAEAAVRDFHLNAKVYPDDTSLLQDPDIDAVFVVSFGGAHEATVLKALD CC ATOM EAAEAAVRDFHLNAKVYPDDTSLLQDPDIDAVFVVSFGGAHEATVLKALD CC ************************************************** CC SEQRES TDKFIFTEKPLATTLEGAKRIVDKELTKSKKVIQVGFMRRYDQGIRALKE CC ATOM TDKFIFTEKPLATTLEGAKRIVDKELTKSKKVIQVGFMRRYDQGIRALKE CC ************************************************** CC SEQRES KLDTGIIGAPLVVRASHINPNVASNYSNEMAITDTLIHEIDEMHWLLDDE CC ATOM KLDTGIIGAPLVVRASHINPNVASNYSNEMAITDTLIHEIDEMHWLLDDE CC ************************************************** CC SEQRES YTSIQITYPRQSAEVRNEGLHDPQLATLTTKKGTVIQVLVHVTAQYGYEV CC ATOM YTSIQITYPRQSAEVRNEGLHDPQLATLTTKKGTVIQVLVHVTAQYGYEV CC ************************************************** CC SEQRES KLEVIGETGELQLPNYGLGPILRSNANQQTAVEMSWINRFIQAYNTEVQE CC ATOM KLEVIGETGELQLPNYGLGPILRSNANQQTAVEMSWINRFIQAYNTEVQE CC ************************************************** CC SEQRES FIDEVAKSEPPVGPSAWDGYIAAITAAAANRSQKDQETVLINVAGTPTFY CC ATOM FIDEVAKSEPPVGPSAWDGYIAAITAAAANRSQKDQETVLINVAGTPTFY CC ************************************************** CC SEQRES Q CC ATOM Q CC * SQ SEQUENCE 351 AA; MW; CN; MRGSHHHHHH GSMVVKVGVI GTGAMGRAHI DRLTNVLTGA EVVAVTDIDH EAAEAAVRDF HLNAKVYPDD TSLLQDPDID AVFVVSFGGA HEATVLKALD TDKFIFTEKP LATTLEGAKR IVDKELTKSK KVIQVGFMRR YDQGIRALKE KLDTGIIGAP LVVRASHINP NVASNYSNEM AITDTLIHEI DEMHWLLDDE YTSIQITYPR QSAEVRNEGL HDPQLATLTT KKGTVIQVLV HVTAQYGYEV KLEVIGETGE LQLPNYGLGP ILRSNANQQT AVEMSWINRF IQAYNTEVQE FIDEVAKSEP PVGPSAWDGY IAAITAAAAN RSQKDQETVL INVAGTPTFY Q // ID 4MJLC STANDARD; PRT; 351 AA. DT CONVERTED FROM PDB (SEQRES) 4MJL DE Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase OS Lactobacillus casei CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.600 CC R-Factor 0.172 FT #SUB 159 147 ALA C 210 198 ARG A Protein S 3 FT #SUB 160 148 PRO C 210 198 ARG A Protein B 2 FT #SUB 161 149 LEU C 209 197 PRO A Protein B 1 FT #SUB 161 149 LEU C 210 198 ARG A Protein S 3 FT #SUB 161 149 LEU C 212 200 SER A Protein S 1 FT #SUB 161 149 LEU C 223 211 PRO A Protein S 1 FT #SUB 161 149 LEU C 241 229 HIS A Protein S 2 FT #SUB 162 150 VAL C 209 197 PRO A Protein S 2 FT #SUB 164 152 ARG C 165 153 ALA A Protein S 5 FT #SUB 164 152 ARG C 166 154 SER A Protein S 1 FT #SUB 164 152 ARG C 237 225 GLN A Protein S 4 FT #SUB 164 152 ARG C 238 226 VAL A Protein S 2 FT #SUB 164 152 ARG C 239 227 LEU A Protein S 3 FT #SUB 165 153 ALA C 164 152 ARG A Protein B 4 FT #SUB 166 154 SER C 164 152 ARG A Protein S 1 FT #SUB 168 156 ILE C 260 248 GLU A Protein S 1 FT #SUB 209 197 PRO C 161 149 LEU A Protein S 1 FT #SUB 209 197 PRO C 162 150 VAL A Protein S 2 FT #SUB 209 197 PRO C 233 221 GLY A Protein B 2 FT #SUB 209 197 PRO C 235 223 VAL A Protein A 2 FT #SUB 210 198 ARG C 159 147 ALA A Protein S 2 FT #SUB 210 198 ARG C 160 148 PRO A Protein S 2 FT #SUB 210 198 ARG C 161 149 LEU A Protein S 2 FT #SUB 210 198 ARG C 232 220 LYS A Protein S 6 FT #SUB 210 198 ARG C 233 221 GLY A Protein A 6 FT #SUB 210 198 ARG C 234 222 THR A Protein S 2 FT #SUB 212 200 SER C 161 149 LEU A Protein S 1 FT #SUB 212 200 SER C 257 245 GLU A Protein A 4 FT #SUB 213 201 ALA C 257 245 GLU A Protein A 5 FT #SUB 214 202 GLU C 257 245 GLU A Protein S 1 FT #SUB 214 202 GLU C 258 246 THR A Protein S 2 FT #SUB 223 211 PRO C 161 149 LEU A Protein S 1 FT #SUB 225 213 LEU C 235 223 VAL A Protein S 2 FT #SUB 225 213 LEU C 237 225 GLN A Protein S 1 FT #SUB 232 220 LYS C 210 198 ARG A Protein A 6 FT #SUB 233 221 GLY C 209 197 PRO A Protein B 2 FT #SUB 233 221 GLY C 210 198 ARG A Protein B 8 FT #SUB 234 222 THR C 210 198 ARG A Protein A 3 FT #SUB 235 223 VAL C 209 197 PRO A Protein S 2 FT #SUB 235 223 VAL C 225 213 LEU A Protein S 2 FT #SUB 237 225 GLN C 164 152 ARG A Protein A 4 FT #SUB 237 225 GLN C 225 213 LEU A Protein S 1 FT #SUB 237 225 GLN C 237 225 GLN A Protein S 1 FT #SUB 238 226 VAL C 164 152 ARG A Protein B 2 FT #SUB 239 227 LEU C 164 152 ARG A Protein A 3 FT #SUB 239 227 LEU C 255 243 ILE A Protein S 2 FT #SUB 241 229 HIS C 161 149 LEU A Protein S 2 FT #SUB 241 229 HIS C 255 243 ILE A Protein S 2 FT #SUB 241 229 HIS C 256 244 GLY A Protein S 1 FT #SUB 243 231 THR C 257 245 GLU A Protein B 1 FT #SUB 244 232 ALA C 257 245 GLU A Protein B 2 FT #SUB 244 232 ALA C 258 246 THR A Protein B 3 FT #SUB 244 232 ALA C 259 247 GLY A Protein B 1 FT #SUB 245 233 GLN C 257 245 GLU A Protein S 1 FT #SUB 245 233 GLN C 258 246 THR A Protein S 4 FT #SUB 246 234 TYR C 258 246 THR A Protein S 1 FT #SUB 246 234 TYR C 260 248 GLU A Protein S 6 FT #SUB 251 239 LYS C 253 241 GLU A Protein S 1 FT #SUB 251 239 LYS C 260 248 GLU A Protein S 4 FT #SUB 253 241 GLU C 251 239 LYS A Protein S 1 FT #SUB 255 243 ILE C 239 227 LEU A Protein S 2 FT #SUB 255 243 ILE C 241 229 HIS A Protein S 2 FT #SUB 256 244 GLY C 241 229 HIS A Protein B 2 FT #SUB 257 245 GLU C 212 200 SER A Protein S 4 FT #SUB 257 245 GLU C 213 201 ALA A Protein S 5 FT #SUB 257 245 GLU C 214 202 GLU A Protein B 1 FT #SUB 257 245 GLU C 243 231 THR A Protein B 1 FT #SUB 257 245 GLU C 244 232 ALA A Protein B 2 FT #SUB 257 245 GLU C 245 233 GLN A Protein B 1 FT #SUB 258 246 THR C 214 202 GLU A Protein S 1 FT #SUB 258 246 THR C 244 232 ALA A Protein B 3 FT #SUB 258 246 THR C 245 233 GLN A Protein B 3 FT #SUB 258 246 THR C 246 234 TYR A Protein B 1 FT #SUB 259 247 GLY C 244 232 ALA A Protein B 1 FT #SUB 260 248 GLU C 168 156 ILE A Protein S 1 FT #SUB 260 248 GLU C 246 234 TYR A Protein S 6 FT #SUB 260 248 GLU C 251 239 LYS A Protein S 4 FT #SUB 35 23 ASN C 38 26 THR B Protein B 2 FT #SUB 36 24 VAL C 38 26 THR B Protein B 2 FT #SUB 37 25 LEU C 38 26 THR B Protein B 2 FT #SUB 38 26 THR C 35 23 ASN B Protein S 1 FT #SUB 38 26 THR C 37 25 LEU B Protein S 2 FT #SUB 143 131 GLN C 268 256 LEU B Protein S 2 FT #SUB 144 132 GLY C 268 256 LEU B Protein B 1 FT #SUB 147 135 ALA C 270 258 PRO B Protein B 3 FT #SUB 148 136 LEU C 270 258 PRO B Protein B 1 FT #SUB 151 139 LYS C 270 258 PRO B Protein S 2 FT #SUB 156 144 ILE C 272 260 LEU B Protein S 1 FT #SUB 157 145 ILE C 272 260 LEU B Protein S 1 FT #SUB 259 247 GLY C 273 261 ARG B Protein B 2 FT #SUB 260 248 GLU C 271 259 ILE B Protein B 1 FT #SUB 260 248 GLU C 272 260 LEU B Protein B 3 FT #SUB 260 248 GLU C 273 261 ARG B Protein A 8 FT #SUB 261 249 LEU C 270 258 PRO B Protein S 2 FT #SUB 261 249 LEU C 271 259 ILE B Protein A 3 FT #SUB 261 249 LEU C 272 260 LEU B Protein S 1 FT #SUB 262 250 GLN C 270 258 PRO B Protein B 3 FT #SUB 262 250 GLN C 271 259 ILE B Protein B 5 FT #SUB 262 250 GLN C 273 261 ARG B Protein S 2 FT #SUB 264 252 PRO C 268 256 LEU B Protein S 2 FT #SUB 264 252 PRO C 269 257 GLY B Protein S 2 FT #SUB 268 256 LEU C 143 131 GLN B Protein S 2 FT #SUB 268 256 LEU C 144 132 GLY B Protein B 1 FT #SUB 268 256 LEU C 264 252 PRO B Protein B 2 FT #SUB 269 257 GLY C 147 135 ALA B Protein B 1 FT #SUB 269 257 GLY C 264 252 PRO B Protein B 2 FT #SUB 270 258 PRO C 147 135 ALA B Protein S 3 FT #SUB 270 258 PRO C 148 136 LEU B Protein S 1 FT #SUB 270 258 PRO C 151 139 LYS B Protein S 1 FT #SUB 270 258 PRO C 261 249 LEU B Protein S 2 FT #SUB 270 258 PRO C 262 250 GLN B Protein A 3 FT #SUB 271 259 ILE C 260 248 GLU B Protein B 1 FT #SUB 271 259 ILE C 261 249 LEU B Protein B 3 FT #SUB 271 259 ILE C 262 250 GLN B Protein A 5 FT #SUB 272 260 LEU C 156 144 ILE B Protein S 1 FT #SUB 272 260 LEU C 157 145 ILE B Protein S 1 FT #SUB 272 260 LEU C 260 248 GLU B Protein A 3 FT #SUB 272 260 LEU C 261 249 LEU B Protein S 1 FT #SUB 273 261 ARG C 259 247 GLY B Protein B 2 FT #SUB 273 261 ARG C 260 248 GLU B Protein A 8 FT #SUB 273 261 ARG C 262 250 GLN B Protein S 1 FT #SUB 246 234 TYR C 273 261 ARG D Protein S 10 FT #SUB 246 234 TYR C 274 262 SER D Protein S 3 FT #SUB 246 234 TYR C 275 263 ASN D Protein A 2 FT #SUB 246 234 TYR C 276 264 ALA D Protein B 3 FT #SUB 249 237 GLU C 273 261 ARG D Protein S 9 FT #SUB 251 239 LYS C 273 261 ARG D Protein S 3 FT #SUB 265 253 ASN C 273 261 ARG D Protein S 1 FT #SUB 265 253 ASN C 278 266 GLN D Protein S 6 FT #SUB 273 261 ARG C 246 234 TYR D Protein A 10 FT #SUB 273 261 ARG C 249 237 GLU D Protein S 9 FT #SUB 273 261 ARG C 251 239 LYS D Protein S 3 FT #SUB 273 261 ARG C 265 253 ASN D Protein S 1 FT #SUB 274 262 SER C 246 234 TYR D Protein B 3 FT #SUB 275 263 ASN C 246 234 TYR D Protein B 2 FT #SUB 276 264 ALA C 246 234 TYR D Protein B 3 FT #SUB 276 264 ALA C 281 269 ALA D Protein B 2 FT #SUB 276 264 ALA C 282 270 VAL D Protein B 6 FT #SUB 276 264 ALA C 284 272 MET D Protein A 2 FT #SUB 277 265 ASN C 279 267 GLN D Protein S 5 FT #SUB 277 265 ASN C 280 268 THR D Protein A 5 FT #SUB 277 265 ASN C 281 269 ALA D Protein S 2 FT #SUB 277 265 ASN C 282 270 VAL D Protein B 4 FT #SUB 278 266 GLN C 265 253 ASN D Protein S 4 FT #SUB 278 266 GLN C 279 267 GLN D Protein B 3 FT #SUB 278 266 GLN C 280 268 THR D Protein B 5 FT #SUB 278 266 GLN C 282 270 VAL D Protein B 1 FT #SUB 279 267 GLN C 277 265 ASN D Protein S 6 FT #SUB 279 267 GLN C 278 266 GLN D Protein A 3 FT #SUB 279 267 GLN C 279 267 GLN D Protein S 2 FT #SUB 280 268 THR C 277 265 ASN D Protein B 5 FT #SUB 280 268 THR C 278 266 GLN D Protein A 6 FT #SUB 281 269 ALA C 276 264 ALA D Protein B 2 FT #SUB 281 269 ALA C 277 265 ASN D Protein B 2 FT #SUB 282 270 VAL C 276 264 ALA D Protein A 6 FT #SUB 282 270 VAL C 277 265 ASN D Protein S 4 FT #SUB 282 270 VAL C 278 266 GLN D Protein S 1 FT #SUB 284 272 MET C 276 264 ALA D Protein S 2 FT #HET 21 9 GLY C 10 401 NAD C B 2 FT #HET 22 10 THR C 10 401 NAD C B 1 FT #HET 23 11 GLY C 10 401 NAD C B 8 FT #HET 24 12 ALA C 10 401 NAD C A 8 FT #HET 25 13 MET C 10 401 NAD C A 9 FT #HET 36 24 VAL C 12 403 GOL C A 3 FT #HET 37 25 LEU C 12 403 GOL C S 1 FT #HET 47 35 ASP C 10 401 NAD C A 18 FT #HET 48 36 ILE C 10 401 NAD C A 18 FT #HET 85 73 VAL C 10 401 NAD C A 4 FT #HET 86 74 SER C 10 401 NAD C A 9 FT #HET 87 75 PHE C 10 401 NAD C A 13 FT #HET 88 76 GLY C 10 401 NAD C B 2 FT #HET 90 78 ALA C 10 401 NAD C S 1 FT #HET 91 79 HIS C 10 401 NAD C S 3 FT #HET 108 96 GLU C 10 401 NAD C S 11 FT #HET 109 97 LYS C 10 401 NAD C A 8 FT #HET 110 98 PRO C 10 401 NAD C S 1 FT #HET 136 124 GLY C 10 401 NAD C B 1 FT #HET 138 126 MET C 10 401 NAD C S 2 FT #HET 159 147 ALA C 5 405 SO4 A A 3 FT #HET 160 148 PRO C 5 405 SO4 A S 2 FT #HET 164 152 ARG C 3 403 GOL A B 5 FT #HET 164 152 ARG C 13 404 GOL C S 8 FT #HET 165 153 ALA C 3 403 GOL A B 5 FT #HET 166 154 SER C 3 403 GOL A A 5 FT #HET 188 176 HIS C 10 401 NAD C S 4 FT #HET 210 198 ARG C 14 405 SO4 C S 9 FT #HET 232 220 LYS C 5 405 SO4 A S 5 FT #HET 251 239 LYS C 3 403 GOL A A 3 FT #HET 252 240 LEU C 3 403 GOL A B 3 FT #HET 253 241 GLU C 3 403 GOL A A 4 FT #HET 253 241 GLU C 13 404 GOL C S 6 FT #HET 271 259 ILE C 11 402 GOL C S 1 FT #HET 278 266 GLN C 11 402 GOL C A 7 FT #HET 279 267 GLN C 11 402 GOL C B 3 FT #HET 280 268 THR C 11 402 GOL C A 7 FT #HET 294 282 TYR C 10 401 NAD C S 4 FT DISORDER 1 12 CC SEQUENCE 339 AA (ATOM); CC MVVKVGVIGT GAMGRAHIDR LTNVLTGAEV VAVTDIDHEA AEAAVRDFHL NAKVYPDDTS CC LLQDPDIDAV FVVSFGGAHE ATVLKALDTD KFIFTEKPLA TTLEGAKRIV DKELTKSKKV CC IQVGFMRRYD QGIRALKEKL DTGIIGAPLV VRASHINPNV ASNYSNEMAI TDTLIHEIDE CC MHWLLDDEYT SIQITYPRQS AEVRNEGLHD PQLATLTTKK GTVIQVLVHV TAQYGYEVKL CC EVIGETGELQ LPNYGLGPIL RSNANQQTAV EMSWINRFIQ AYNTEVQEFI DEVAKSEPPV CC GPSAWDGYIA AITAAAANRS QKDQETVLIN VAGTPTFYQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MRGSHHHHHHGSMVVKVGVIGTGAMGRAHIDRLTNVLTGAEVVAVTDIDH CC ATOM ------------MVVKVGVIGTGAMGRAHIDRLTNVLTGAEVVAVTDIDH CC ************************************** CC SEQRES EAAEAAVRDFHLNAKVYPDDTSLLQDPDIDAVFVVSFGGAHEATVLKALD CC ATOM EAAEAAVRDFHLNAKVYPDDTSLLQDPDIDAVFVVSFGGAHEATVLKALD CC ************************************************** CC SEQRES TDKFIFTEKPLATTLEGAKRIVDKELTKSKKVIQVGFMRRYDQGIRALKE CC ATOM TDKFIFTEKPLATTLEGAKRIVDKELTKSKKVIQVGFMRRYDQGIRALKE CC ************************************************** CC SEQRES KLDTGIIGAPLVVRASHINPNVASNYSNEMAITDTLIHEIDEMHWLLDDE CC ATOM KLDTGIIGAPLVVRASHINPNVASNYSNEMAITDTLIHEIDEMHWLLDDE CC ************************************************** CC SEQRES YTSIQITYPRQSAEVRNEGLHDPQLATLTTKKGTVIQVLVHVTAQYGYEV CC ATOM YTSIQITYPRQSAEVRNEGLHDPQLATLTTKKGTVIQVLVHVTAQYGYEV CC ************************************************** CC SEQRES KLEVIGETGELQLPNYGLGPILRSNANQQTAVEMSWINRFIQAYNTEVQE CC ATOM KLEVIGETGELQLPNYGLGPILRSNANQQTAVEMSWINRFIQAYNTEVQE CC ************************************************** CC SEQRES FIDEVAKSEPPVGPSAWDGYIAAITAAAANRSQKDQETVLINVAGTPTFY CC ATOM FIDEVAKSEPPVGPSAWDGYIAAITAAAANRSQKDQETVLINVAGTPTFY CC ************************************************** CC SEQRES Q CC ATOM Q CC * SQ SEQUENCE 351 AA; MW; CN; MRGSHHHHHH GSMVVKVGVI GTGAMGRAHI DRLTNVLTGA EVVAVTDIDH EAAEAAVRDF HLNAKVYPDD TSLLQDPDID AVFVVSFGGA HEATVLKALD TDKFIFTEKP LATTLEGAKR IVDKELTKSK KVIQVGFMRR YDQGIRALKE KLDTGIIGAP LVVRASHINP NVASNYSNEM AITDTLIHEI DEMHWLLDDE YTSIQITYPR QSAEVRNEGL HDPQLATLTT KKGTVIQVLV HVTAQYGYEV KLEVIGETGE LQLPNYGLGP ILRSNANQQT AVEMSWINRF IQAYNTEVQE FIDEVAKSEP PVGPSAWDGY IAAITAAAAN RSQKDQETVL INVAGTPTFY Q // ID 4MJLD STANDARD; PRT; 351 AA. DT CONVERTED FROM PDB (SEQRES) 4MJL DE Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase OS Lactobacillus casei CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.600 CC R-Factor 0.172 FT #SUB 35 23 ASN D 38 26 THR A Protein B 1 FT #SUB 36 24 VAL D 38 26 THR A Protein B 1 FT #SUB 37 25 LEU D 38 26 THR A Protein B 3 FT #SUB 38 26 THR D 36 24 VAL A Protein S 1 FT #SUB 38 26 THR D 37 25 LEU A Protein S 2 FT #SUB 38 26 THR D 38 26 THR A Protein S 2 FT #SUB 143 131 GLN D 268 256 LEU A Protein S 2 FT #SUB 144 132 GLY D 268 256 LEU A Protein B 1 FT #SUB 147 135 ALA D 270 258 PRO A Protein B 2 FT #SUB 148 136 LEU D 270 258 PRO A Protein B 1 FT #SUB 151 139 LYS D 270 258 PRO A Protein S 1 FT #SUB 157 145 ILE D 272 260 LEU A Protein S 1 FT #SUB 259 247 GLY D 273 261 ARG A Protein B 2 FT #SUB 260 248 GLU D 271 259 ILE A Protein B 1 FT #SUB 260 248 GLU D 272 260 LEU A Protein B 3 FT #SUB 260 248 GLU D 273 261 ARG A Protein A 9 FT #SUB 261 249 LEU D 270 258 PRO A Protein S 2 FT #SUB 261 249 LEU D 271 259 ILE A Protein A 3 FT #SUB 261 249 LEU D 272 260 LEU A Protein S 1 FT #SUB 262 250 GLN D 270 258 PRO A Protein B 3 FT #SUB 262 250 GLN D 271 259 ILE A Protein B 6 FT #SUB 262 250 GLN D 273 261 ARG A Protein S 1 FT #SUB 264 252 PRO D 268 256 LEU A Protein S 2 FT #SUB 264 252 PRO D 269 257 GLY A Protein S 2 FT #SUB 264 252 PRO D 271 259 ILE A Protein B 1 FT #SUB 268 256 LEU D 143 131 GLN A Protein S 1 FT #SUB 268 256 LEU D 144 132 GLY A Protein B 1 FT #SUB 268 256 LEU D 264 252 PRO A Protein B 2 FT #SUB 269 257 GLY D 264 252 PRO A Protein B 3 FT #SUB 270 258 PRO D 147 135 ALA A Protein S 2 FT #SUB 270 258 PRO D 148 136 LEU A Protein S 1 FT #SUB 270 258 PRO D 151 139 LYS A Protein S 1 FT #SUB 270 258 PRO D 261 249 LEU A Protein S 1 FT #SUB 270 258 PRO D 262 250 GLN A Protein A 3 FT #SUB 271 259 ILE D 260 248 GLU A Protein B 1 FT #SUB 271 259 ILE D 261 249 LEU A Protein B 2 FT #SUB 271 259 ILE D 262 250 GLN A Protein A 7 FT #SUB 271 259 ILE D 264 252 PRO A Protein S 1 FT #SUB 272 260 LEU D 156 144 ILE A Protein S 1 FT #SUB 272 260 LEU D 157 145 ILE A Protein S 1 FT #SUB 272 260 LEU D 260 248 GLU A Protein A 3 FT #SUB 272 260 LEU D 261 249 LEU A Protein S 1 FT #SUB 273 261 ARG D 259 247 GLY A Protein B 2 FT #SUB 273 261 ARG D 260 248 GLU A Protein A 7 FT #SUB 273 261 ARG D 262 250 GLN A Protein S 2 FT #SUB 159 147 ALA D 210 198 ARG B Protein S 3 FT #SUB 160 148 PRO D 210 198 ARG B Protein A 3 FT #SUB 161 149 LEU D 209 197 PRO B Protein B 1 FT #SUB 161 149 LEU D 210 198 ARG B Protein A 4 FT #SUB 161 149 LEU D 212 200 SER B Protein S 1 FT #SUB 161 149 LEU D 223 211 PRO B Protein S 1 FT #SUB 161 149 LEU D 241 229 HIS B Protein S 2 FT #SUB 162 150 VAL D 209 197 PRO B Protein S 2 FT #SUB 164 152 ARG D 165 153 ALA B Protein S 5 FT #SUB 164 152 ARG D 166 154 SER B Protein S 1 FT #SUB 164 152 ARG D 237 225 GLN B Protein S 4 FT #SUB 164 152 ARG D 238 226 VAL B Protein S 2 FT #SUB 164 152 ARG D 239 227 LEU B Protein S 3 FT #SUB 165 153 ALA D 164 152 ARG B Protein B 5 FT #SUB 166 154 SER D 164 152 ARG B Protein S 1 FT #SUB 168 156 ILE D 260 248 GLU B Protein S 1 FT #SUB 209 197 PRO D 161 149 LEU B Protein S 1 FT #SUB 209 197 PRO D 162 150 VAL B Protein S 2 FT #SUB 209 197 PRO D 233 221 GLY B Protein B 2 FT #SUB 209 197 PRO D 235 223 VAL B Protein A 2 FT #SUB 210 198 ARG D 159 147 ALA B Protein S 3 FT #SUB 210 198 ARG D 160 148 PRO B Protein S 5 FT #SUB 210 198 ARG D 161 149 LEU B Protein A 5 FT #SUB 210 198 ARG D 232 220 LYS B Protein S 3 FT #SUB 210 198 ARG D 233 221 GLY B Protein A 5 FT #SUB 210 198 ARG D 234 222 THR B Protein S 3 FT #SUB 212 200 SER D 161 149 LEU B Protein S 1 FT #SUB 212 200 SER D 257 245 GLU B Protein A 3 FT #SUB 213 201 ALA D 257 245 GLU B Protein A 5 FT #SUB 214 202 GLU D 257 245 GLU B Protein S 1 FT #SUB 214 202 GLU D 258 246 THR B Protein S 2 FT #SUB 223 211 PRO D 161 149 LEU B Protein S 1 FT #SUB 225 213 LEU D 235 223 VAL B Protein S 2 FT #SUB 225 213 LEU D 237 225 GLN B Protein S 1 FT #SUB 232 220 LYS D 210 198 ARG B Protein B 4 FT #SUB 233 221 GLY D 209 197 PRO B Protein B 2 FT #SUB 233 221 GLY D 210 198 ARG B Protein B 9 FT #SUB 234 222 THR D 210 198 ARG B Protein A 3 FT #SUB 235 223 VAL D 209 197 PRO B Protein S 2 FT #SUB 235 223 VAL D 225 213 LEU B Protein S 2 FT #SUB 237 225 GLN D 164 152 ARG B Protein A 5 FT #SUB 237 225 GLN D 225 213 LEU B Protein S 1 FT #SUB 237 225 GLN D 237 225 GLN B Protein S 1 FT #SUB 238 226 VAL D 164 152 ARG B Protein B 2 FT #SUB 239 227 LEU D 164 152 ARG B Protein A 3 FT #SUB 239 227 LEU D 255 243 ILE B Protein S 2 FT #SUB 241 229 HIS D 255 243 ILE B Protein S 2 FT #SUB 241 229 HIS D 256 244 GLY B Protein S 1 FT #SUB 243 231 THR D 257 245 GLU B Protein B 1 FT #SUB 244 232 ALA D 257 245 GLU B Protein B 2 FT #SUB 244 232 ALA D 258 246 THR B Protein B 3 FT #SUB 244 232 ALA D 259 247 GLY B Protein B 1 FT #SUB 245 233 GLN D 257 245 GLU B Protein S 1 FT #SUB 245 233 GLN D 258 246 THR B Protein S 3 FT #SUB 246 234 TYR D 258 246 THR B Protein S 1 FT #SUB 246 234 TYR D 260 248 GLU B Protein S 5 FT #SUB 251 239 LYS D 253 241 GLU B Protein S 2 FT #SUB 251 239 LYS D 260 248 GLU B Protein S 3 FT #SUB 253 241 GLU D 251 239 LYS B Protein S 1 FT #SUB 255 243 ILE D 239 227 LEU B Protein S 2 FT #SUB 255 243 ILE D 241 229 HIS B Protein S 2 FT #SUB 256 244 GLY D 241 229 HIS B Protein B 1 FT #SUB 257 245 GLU D 212 200 SER B Protein S 4 FT #SUB 257 245 GLU D 213 201 ALA B Protein S 5 FT #SUB 257 245 GLU D 214 202 GLU B Protein B 1 FT #SUB 257 245 GLU D 243 231 THR B Protein B 1 FT #SUB 257 245 GLU D 244 232 ALA B Protein B 2 FT #SUB 257 245 GLU D 245 233 GLN B Protein B 1 FT #SUB 258 246 THR D 214 202 GLU B Protein S 2 FT #SUB 258 246 THR D 244 232 ALA B Protein B 3 FT #SUB 258 246 THR D 245 233 GLN B Protein B 3 FT #SUB 258 246 THR D 246 234 TYR B Protein B 1 FT #SUB 259 247 GLY D 244 232 ALA B Protein B 1 FT #SUB 260 248 GLU D 168 156 ILE B Protein S 2 FT #SUB 260 248 GLU D 246 234 TYR B Protein S 6 FT #SUB 260 248 GLU D 251 239 LYS B Protein S 4 FT #SUB 246 234 TYR D 273 261 ARG C Protein S 10 FT #SUB 246 234 TYR D 274 262 SER C Protein S 3 FT #SUB 246 234 TYR D 275 263 ASN C Protein A 2 FT #SUB 246 234 TYR D 276 264 ALA C Protein B 3 FT #SUB 249 237 GLU D 273 261 ARG C Protein S 9 FT #SUB 251 239 LYS D 273 261 ARG C Protein S 3 FT #SUB 265 253 ASN D 273 261 ARG C Protein S 1 FT #SUB 265 253 ASN D 278 266 GLN C Protein S 4 FT #SUB 273 261 ARG D 246 234 TYR C Protein A 10 FT #SUB 273 261 ARG D 249 237 GLU C Protein S 9 FT #SUB 273 261 ARG D 251 239 LYS C Protein S 3 FT #SUB 273 261 ARG D 265 253 ASN C Protein S 1 FT #SUB 274 262 SER D 246 234 TYR C Protein B 3 FT #SUB 275 263 ASN D 246 234 TYR C Protein B 2 FT #SUB 276 264 ALA D 246 234 TYR C Protein B 3 FT #SUB 276 264 ALA D 281 269 ALA C Protein B 2 FT #SUB 276 264 ALA D 282 270 VAL C Protein B 6 FT #SUB 276 264 ALA D 284 272 MET C Protein A 2 FT #SUB 277 265 ASN D 279 267 GLN C Protein S 6 FT #SUB 277 265 ASN D 280 268 THR C Protein A 5 FT #SUB 277 265 ASN D 281 269 ALA C Protein S 2 FT #SUB 277 265 ASN D 282 270 VAL C Protein B 4 FT #SUB 278 266 GLN D 265 253 ASN C Protein S 6 FT #SUB 278 266 GLN D 279 267 GLN C Protein B 3 FT #SUB 278 266 GLN D 280 268 THR C Protein A 6 FT #SUB 278 266 GLN D 282 270 VAL C Protein B 1 FT #SUB 279 267 GLN D 277 265 ASN C Protein S 5 FT #SUB 279 267 GLN D 278 266 GLN C Protein A 3 FT #SUB 279 267 GLN D 279 267 GLN C Protein S 2 FT #SUB 280 268 THR D 277 265 ASN C Protein B 5 FT #SUB 280 268 THR D 278 266 GLN C Protein A 5 FT #SUB 281 269 ALA D 276 264 ALA C Protein B 2 FT #SUB 281 269 ALA D 277 265 ASN C Protein B 2 FT #SUB 282 270 VAL D 276 264 ALA C Protein A 6 FT #SUB 282 270 VAL D 277 265 ASN C Protein S 4 FT #SUB 282 270 VAL D 278 266 GLN C Protein S 1 FT #SUB 284 272 MET D 276 264 ALA C Protein S 2 FT #HET 20 8 ILE D 15 401 NAD D S 1 FT #HET 21 9 GLY D 15 401 NAD D B 2 FT #HET 22 10 THR D 15 401 NAD D B 1 FT #HET 23 11 GLY D 15 401 NAD D B 8 FT #HET 24 12 ALA D 15 401 NAD D A 8 FT #HET 25 13 MET D 15 401 NAD D A 9 FT #HET 38 26 THR D 4 404 SO4 A A 5 FT #HET 39 27 GLY D 4 404 SO4 A B 5 FT #HET 47 35 ASP D 15 401 NAD D A 16 FT #HET 48 36 ILE D 15 401 NAD D A 14 FT #HET 74 62 LEU D 17 403 GOL D B 3 FT #HET 75 63 GLN D 17 403 GOL D B 3 FT #HET 76 64 ASP D 17 403 GOL D B 3 FT #HET 77 65 PRO D 17 403 GOL D B 2 FT #HET 85 73 VAL D 15 401 NAD D B 4 FT #HET 86 74 SER D 15 401 NAD D A 14 FT #HET 87 75 PHE D 15 401 NAD D A 3 FT #HET 88 76 GLY D 15 401 NAD D B 2 FT #HET 90 78 ALA D 15 401 NAD D S 3 FT #HET 91 79 HIS D 15 401 NAD D S 2 FT #HET 101 89 THR D 17 403 GOL D A 5 FT #HET 102 90 ASP D 17 403 GOL D A 13 FT #HET 103 91 LYS D 17 403 GOL D S 7 FT #HET 108 96 GLU D 15 401 NAD D S 11 FT #HET 109 97 LYS D 15 401 NAD D A 9 FT #HET 109 97 LYS D 16 402 CBU D S 4 FT #HET 136 124 GLY D 15 401 NAD D B 1 FT #HET 138 126 MET D 15 401 NAD D S 3 FT #HET 140 128 ARG D 18 404 GOL D A 3 FT #HET 141 129 TYR D 18 404 GOL D S 9 FT #HET 146 134 ARG D 18 404 GOL D S 3 FT #HET 146 134 ARG D 19 405 SO4 D S 8 FT #HET 159 147 ALA D 8 403 SO4 B S 1 FT #HET 160 148 PRO D 8 403 SO4 B S 2 FT #HET 167 155 HIS D 16 402 CBU D S 6 FT #HET 169 157 ASN D 16 402 CBU D S 5 FT #HET 176 164 TYR D 16 402 CBU D S 1 FT #HET 184 172 ASP D 15 401 NAD D S 4 FT #HET 184 172 ASP D 16 402 CBU D A 7 FT #HET 185 173 THR D 16 402 CBU D A 7 FT #HET 188 176 HIS D 15 401 NAD D S 6 FT #HET 188 176 HIS D 16 402 CBU D S 8 FT #HET 195 183 TRP D 19 405 SO4 D S 5 FT #HET 232 220 LYS D 8 403 SO4 B S 6 FT #HET 248 236 TYR D 16 402 CBU D S 6 FT #HET 271 259 ILE D 11 402 GOL C S 1 FT #HET 278 266 GLN D 11 402 GOL C A 10 FT #HET 279 267 GLN D 11 402 GOL C B 3 FT #HET 280 268 THR D 11 402 GOL C A 4 FT #HET 286 274 TRP D 15 401 NAD D S 9 FT #HET 286 274 TRP D 16 402 CBU D S 2 FT #HET 294 282 TYR D 15 401 NAD D S 8 FT #HET 300 288 GLU D 18 404 GOL D S 6 FT #HET 312 300 VAL D 18 404 GOL D A 2 FT DISORDER 1 12 CC SEQUENCE 339 AA (ATOM); CC MVVKVGVIGT GAMGRAHIDR LTNVLTGAEV VAVTDIDHEA AEAAVRDFHL NAKVYPDDTS CC LLQDPDIDAV FVVSFGGAHE ATVLKALDTD KFIFTEKPLA TTLEGAKRIV DKELTKSKKV CC IQVGFMRRYD QGIRALKEKL DTGIIGAPLV VRASHINPNV ASNYSNEMAI TDTLIHEIDE CC MHWLLDDEYT SIQITYPRQS AEVRNEGLHD PQLATLTTKK GTVIQVLVHV TAQYGYEVKL CC EVIGETGELQ LPNYGLGPIL RSNANQQTAV EMSWINRFIQ AYNTEVQEFI DEVAKSEPPV CC GPSAWDGYIA AITAAAANRS QKDQETVLIN VAGTPTFYQ CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MRGSHHHHHHGSMVVKVGVIGTGAMGRAHIDRLTNVLTGAEVVAVTDIDH CC ATOM ------------MVVKVGVIGTGAMGRAHIDRLTNVLTGAEVVAVTDIDH CC ************************************** CC SEQRES EAAEAAVRDFHLNAKVYPDDTSLLQDPDIDAVFVVSFGGAHEATVLKALD CC ATOM EAAEAAVRDFHLNAKVYPDDTSLLQDPDIDAVFVVSFGGAHEATVLKALD CC ************************************************** CC SEQRES TDKFIFTEKPLATTLEGAKRIVDKELTKSKKVIQVGFMRRYDQGIRALKE CC ATOM TDKFIFTEKPLATTLEGAKRIVDKELTKSKKVIQVGFMRRYDQGIRALKE CC ************************************************** CC SEQRES KLDTGIIGAPLVVRASHINPNVASNYSNEMAITDTLIHEIDEMHWLLDDE CC ATOM KLDTGIIGAPLVVRASHINPNVASNYSNEMAITDTLIHEIDEMHWLLDDE CC ************************************************** CC SEQRES YTSIQITYPRQSAEVRNEGLHDPQLATLTTKKGTVIQVLVHVTAQYGYEV CC ATOM YTSIQITYPRQSAEVRNEGLHDPQLATLTTKKGTVIQVLVHVTAQYGYEV CC ************************************************** CC SEQRES KLEVIGETGELQLPNYGLGPILRSNANQQTAVEMSWINRFIQAYNTEVQE CC ATOM KLEVIGETGELQLPNYGLGPILRSNANQQTAVEMSWINRFIQAYNTEVQE CC ************************************************** CC SEQRES FIDEVAKSEPPVGPSAWDGYIAAITAAAANRSQKDQETVLINVAGTPTFY CC ATOM FIDEVAKSEPPVGPSAWDGYIAAITAAAANRSQKDQETVLINVAGTPTFY CC ************************************************** CC SEQRES Q CC ATOM Q CC * SQ SEQUENCE 351 AA; MW; CN; MRGSHHHHHH GSMVVKVGVI GTGAMGRAHI DRLTNVLTGA EVVAVTDIDH EAAEAAVRDF HLNAKVYPDD TSLLQDPDID AVFVVSFGGA HEATVLKALD TDKFIFTEKP LATTLEGAKR IVDKELTKSK KVIQVGFMRR YDQGIRALKE KLDTGIIGAP LVVRASHINP NVASNYSNEM AITDTLIHEI DEMHWLLDDE YTSIQITYPR QSAEVRNEGL HDPQLATLTT KKGTVIQVLV HVTAQYGYEV KLEVIGETGE LQLPNYGLGP ILRSNANQQT AVEMSWINRF IQAYNTEVQE FIDEVAKSEP PVGPSAWDGY IAAITAAAAN RSQKDQETVL INVAGTPTFY Q //