ID 3VNKA STANDARD; PRT; 293 AA. DT CONVERTED FROM PDB (SEQRES) 3VNK DE Xylose isomerase domain protein TIM barrel OS Clostridium cellulolyticum CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.020 CC R-Factor 0.186 FT #SUB 217 217 VAL A 285 285 TYR B Protein S 1 FT #SUB 218 218 PRO A 285 285 TYR B Protein B 4 FT #SUB 219 219 GLY A 226 226 VAL B Protein B 1 FT #SUB 219 219 GLY A 286 286 VAL B Protein B 1 FT #SUB 220 220 ARG A 226 226 VAL B Protein B 4 FT #SUB 220 220 ARG A 285 285 TYR B Protein S 10 FT #SUB 220 220 ARG A 286 286 VAL B Protein S 2 FT #SUB 220 220 ARG A 288 288 GLU B Protein S 7 FT #SUB 221 221 GLY A 226 226 VAL B Protein B 2 FT #SUB 226 226 VAL A 219 219 GLY B Protein S 1 FT #SUB 226 226 VAL A 220 220 ARG B Protein S 1 FT #SUB 226 226 VAL A 221 221 GLY B Protein S 2 FT #SUB 278 278 ALA A 285 285 TYR B Protein S 3 FT #SUB 279 279 ALA A 285 285 TYR B Protein A 3 FT #SUB 282 282 PHE A 282 282 PHE B Protein S 3 FT #SUB 282 282 PHE A 285 285 TYR B Protein S 4 FT #SUB 285 285 TYR A 217 217 VAL B Protein S 1 FT #SUB 285 285 TYR A 218 218 PRO B Protein S 4 FT #SUB 285 285 TYR A 219 219 GLY B Protein S 1 FT #SUB 285 285 TYR A 220 220 ARG B Protein A 6 FT #SUB 285 285 TYR A 278 278 ALA B Protein S 2 FT #SUB 285 285 TYR A 279 279 ALA B Protein S 2 FT #SUB 285 285 TYR A 282 282 PHE B Protein S 5 FT #SUB 286 286 VAL A 219 219 GLY B Protein S 1 FT #SUB 286 286 VAL A 220 220 ARG B Protein B 2 FT #SUB 286 286 VAL A 282 282 PHE B Protein S 1 FT #SUB 288 288 GLU A 220 220 ARG B Protein B 4 FT #SUB 289 289 CYS A 220 220 ARG B Protein B 2 FT #SUB 290 290 HIS A 220 220 ARG B Protein A 15 FT #SUB 193 193 SER A 230 230 GLU C Protein S 6 FT #SUB 230 230 GLU A 193 193 SER C Protein S 6 FT #SUB 116 116 TYR A 258 258 LYS D Protein S 3 FT #SUB 116 116 TYR A 260 260 TRP D Protein S 8 FT #SUB 117 117 THR A 115 115 ASP D Protein S 3 FT #SUB 120 120 ILE A 260 260 TRP D Protein S 2 FT #SUB 122 122 LYS A 260 260 TRP D Protein S 5 FT #SUB 153 153 ASN A 155 155 PHE D Protein S 1 FT #SUB 154 154 ARG A 214 214 ASN D Protein S 2 FT #SUB 154 154 ARG A 215 215 ARG D Protein S 1 FT #SUB 154 154 ARG A 257 257 ILE D Protein S 3 FT #SUB 154 154 ARG A 258 258 LYS D Protein A 9 FT #SUB 154 154 ARG A 260 260 TRP D Protein A 3 FT #SUB 154 154 ARG A 263 263 ILE D Protein S 1 FT #SUB 155 155 PHE A 153 153 ASN D Protein S 1 FT #SUB 155 155 PHE A 155 155 PHE D Protein S 11 FT #SUB 155 155 PHE A 156 156 GLU D Protein S 4 FT #SUB 155 155 PHE A 185 185 PHE D Protein S 3 FT #SUB 156 156 GLU A 155 155 PHE D Protein S 4 FT #SUB 157 157 ASN A 260 260 TRP D Protein B 1 FT #SUB 158 158 TYR A 260 260 TRP D Protein A 8 FT #SUB 161 161 ASN A 260 260 TRP D Protein S 3 FT #SUB 161 161 ASN A 261 261 ARG D Protein S 1 FT #SUB 162 162 THR A 261 261 ARG D Protein S 3 FT #SUB 165 165 GLU A 261 261 ARG D Protein S 1 FT #SUB 185 185 PHE A 155 155 PHE D Protein S 2 FT #SUB 187 187 MET A 222 222 ARG D Protein B 1 FT #SUB 188 188 ASN A 188 188 ASN D Protein A 7 FT #SUB 188 188 ASN A 213 213 CYS D Protein B 1 FT #SUB 188 188 ASN A 222 222 ARG D Protein A 6 FT #SUB 189 189 ILE A 189 189 ILE D Protein S 3 FT #SUB 189 189 ILE A 213 213 CYS D Protein B 5 FT #SUB 189 189 ILE A 214 214 ASN D Protein B 3 FT #SUB 190 190 GLU A 214 214 ASN D Protein B 5 FT #SUB 190 190 GLU A 261 261 ARG D Protein A 6 FT #SUB 191 191 GLU A 214 214 ASN D Protein B 1 FT #SUB 191 191 GLU A 222 222 ARG D Protein B 5 FT #SUB 192 192 ASP A 214 214 ASN D Protein A 5 FT #SUB 192 192 ASP A 216 216 LYS D Protein S 5 FT #SUB 192 192 ASP A 222 222 ARG D Protein B 4 FT #SUB 194 194 ILE A 222 222 ARG D Protein A 5 FT #SUB 213 213 CYS A 188 188 ASN D Protein S 1 FT #SUB 213 213 CYS A 189 189 ILE D Protein A 5 FT #SUB 214 214 ASN A 154 154 ARG D Protein A 4 FT #SUB 214 214 ASN A 189 189 ILE D Protein A 3 FT #SUB 214 214 ASN A 190 190 GLU D Protein S 5 FT #SUB 214 214 ASN A 191 191 GLU D Protein S 1 FT #SUB 214 214 ASN A 192 192 ASP D Protein S 3 FT #SUB 216 216 LYS A 192 192 ASP D Protein S 5 FT #SUB 222 222 ARG A 187 187 MET D Protein S 1 FT #SUB 222 222 ARG A 188 188 ASN D Protein S 6 FT #SUB 222 222 ARG A 189 189 ILE D Protein S 1 FT #SUB 222 222 ARG A 191 191 GLU D Protein S 5 FT #SUB 222 222 ARG A 192 192 ASP D Protein S 4 FT #SUB 222 222 ARG A 194 194 ILE D Protein S 4 FT #SUB 257 257 ILE A 154 154 ARG D Protein B 2 FT #SUB 258 258 LYS A 116 116 TYR D Protein S 7 FT #SUB 258 258 LYS A 154 154 ARG D Protein A 11 FT #SUB 260 260 TRP A 116 116 TYR D Protein S 5 FT #SUB 260 260 TRP A 120 120 ILE D Protein S 1 FT #SUB 260 260 TRP A 122 122 LYS D Protein A 5 FT #SUB 260 260 TRP A 154 154 ARG D Protein S 3 FT #SUB 260 260 TRP A 157 157 ASN D Protein S 1 FT #SUB 260 260 TRP A 158 158 TYR D Protein S 10 FT #SUB 260 260 TRP A 161 161 ASN D Protein S 2 FT #SUB 261 261 ARG A 161 161 ASN D Protein S 1 FT #SUB 261 261 ARG A 162 162 THR D Protein S 4 FT #SUB 261 261 ARG A 190 190 GLU D Protein S 6 FT #SUB 263 263 ILE A 154 154 ARG D Protein S 1 FT #HET 6 6 TYR A 1 301 FUD A S 4 FT #HET 14 14 TRP A 1 301 FUD A S 2 FT #HET 66 66 HIS A 1 301 FUD A B 1 FT #HET 112 112 TRP A 1 301 FUD A S 8 FT #HET 150 150 GLU A 1 301 FUD A S 12 FT #HET 150 150 GLU A 2 302 MN A S 3 FT #HET 156 156 GLU A 1 301 FUD A S 4 FT #HET 183 183 ASP A 1 301 FUD A S 1 FT #HET 183 183 ASP A 2 302 MN A S 3 FT #HET 186 186 HIS A 1 301 FUD A S 6 FT #HET 209 209 HIS A 1 301 FUD A S 4 FT #HET 209 209 HIS A 2 302 MN A S 4 FT #HET 215 215 ARG A 1 301 FUD A S 6 FT #HET 216 216 LYS A 3 303 MN A S 1 FT #HET 220 220 ARG A 3 303 MN A S 2 FT #HET 220 220 ARG A 12 303 MN D B 1 FT #HET 244 244 GLU A 1 301 FUD A S 13 FT #HET 244 244 GLU A 2 302 MN A S 3 FT #HET 246 246 PHE A 1 301 FUD A S 2 FT #HET 257 257 ILE A 1 301 FUD A S 1 FT DISORDER 291 293 CC SEQUENCE 290 AA (ATOM); CC MKHGIYYAYW EQEWEADYKY YIEKVAKLGF DILEIAASPL PFYSDIQINE LKACAHGNGI CC TLTVGHGPSA EQNLSSPDPD IRKNAKAFYT DLLKRLYKLD VHLIGGALYS YWPIDYTKTI CC DKKGDWERSV ESVREVAKVA EACGVDFCLE VLNRFENYLI NTAQEGVDFV KQVDHNNVKV CC MLDTFHMNIE EDSIGGAIRT AGSYLGHLHT GECNRKVPGR GRIPWVEIGE ALADIGYNGS CC VVMEPFVRMG GTVGSNIKVW RDISNGADEK MLDREAQAAL DFSRYVLECH CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MKHGIYYAYWEQEWEADYKYYIEKVAKLGFDILEIAASPLPFYSDIQINE CC ATOM MKHGIYYAYWEQEWEADYKYYIEKVAKLGFDILEIAASPLPFYSDIQINE CC ************************************************** CC SEQRES LKACAHGNGITLTVGHGPSAEQNLSSPDPDIRKNAKAFYTDLLKRLYKLD CC ATOM LKACAHGNGITLTVGHGPSAEQNLSSPDPDIRKNAKAFYTDLLKRLYKLD CC ************************************************** CC SEQRES VHLIGGALYSYWPIDYTKTIDKKGDWERSVESVREVAKVAEACGVDFCLE CC ATOM VHLIGGALYSYWPIDYTKTIDKKGDWERSVESVREVAKVAEACGVDFCLE CC ************************************************** CC SEQRES VLNRFENYLINTAQEGVDFVKQVDHNNVKVMLDTFHMNIEEDSIGGAIRT CC ATOM VLNRFENYLINTAQEGVDFVKQVDHNNVKVMLDTFHMNIEEDSIGGAIRT CC ************************************************** CC SEQRES AGSYLGHLHTGECNRKVPGRGRIPWVEIGEALADIGYNGSVVMEPFVRMG CC ATOM AGSYLGHLHTGECNRKVPGRGRIPWVEIGEALADIGYNGSVVMEPFVRMG CC ************************************************** CC SEQRES GTVGSNIKVWRDISNGADEKMLDREAQAALDFSRYVLECHKHS CC ATOM GTVGSNIKVWRDISNGADEKMLDREAQAALDFSRYVLECH--- CC **************************************** SQ SEQUENCE 293 AA; MW; CN; MKHGIYYAYW EQEWEADYKY YIEKVAKLGF DILEIAASPL PFYSDIQINE LKACAHGNGI TLTVGHGPSA EQNLSSPDPD IRKNAKAFYT DLLKRLYKLD VHLIGGALYS YWPIDYTKTI DKKGDWERSV ESVREVAKVA EACGVDFCLE VLNRFENYLI NTAQEGVDFV KQVDHNNVKV MLDTFHMNIE EDSIGGAIRT AGSYLGHLHT GECNRKVPGR GRIPWVEIGE ALADIGYNGS VVMEPFVRMG GTVGSNIKVW RDISNGADEK MLDREAQAAL DFSRYVLECH KHS // ID 3VNKB STANDARD; PRT; 293 AA. DT CONVERTED FROM PDB (SEQRES) 3VNK DE Xylose isomerase domain protein TIM barrel OS Clostridium cellulolyticum CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.020 CC R-Factor 0.186 FT #SUB 217 217 VAL B 285 285 TYR A Protein S 1 FT #SUB 218 218 PRO B 285 285 TYR A Protein B 4 FT #SUB 219 219 GLY B 226 226 VAL A Protein B 1 FT #SUB 219 219 GLY B 285 285 TYR A Protein B 1 FT #SUB 219 219 GLY B 286 286 VAL A Protein B 1 FT #SUB 220 220 ARG B 226 226 VAL A Protein B 1 FT #SUB 220 220 ARG B 285 285 TYR A Protein S 6 FT #SUB 220 220 ARG B 286 286 VAL A Protein S 2 FT #SUB 220 220 ARG B 288 288 GLU A Protein S 4 FT #SUB 220 220 ARG B 289 289 CYS A Protein S 2 FT #SUB 220 220 ARG B 290 290 HIS A Protein A 15 FT #SUB 221 221 GLY B 226 226 VAL A Protein B 2 FT #SUB 226 226 VAL B 219 219 GLY A Protein S 1 FT #SUB 226 226 VAL B 220 220 ARG A Protein S 4 FT #SUB 226 226 VAL B 221 221 GLY A Protein S 2 FT #SUB 278 278 ALA B 285 285 TYR A Protein S 2 FT #SUB 279 279 ALA B 285 285 TYR A Protein A 2 FT #SUB 282 282 PHE B 282 282 PHE A Protein S 3 FT #SUB 282 282 PHE B 285 285 TYR A Protein S 5 FT #SUB 282 282 PHE B 286 286 VAL A Protein S 1 FT #SUB 285 285 TYR B 217 217 VAL A Protein S 1 FT #SUB 285 285 TYR B 218 218 PRO A Protein S 4 FT #SUB 285 285 TYR B 220 220 ARG A Protein A 10 FT #SUB 285 285 TYR B 278 278 ALA A Protein S 3 FT #SUB 285 285 TYR B 279 279 ALA A Protein S 3 FT #SUB 285 285 TYR B 282 282 PHE A Protein S 4 FT #SUB 286 286 VAL B 219 219 GLY A Protein S 1 FT #SUB 286 286 VAL B 220 220 ARG A Protein B 2 FT #SUB 288 288 GLU B 220 220 ARG A Protein A 7 FT #SUB 115 115 ASP B 117 117 THR C Protein S 1 FT #SUB 116 116 TYR B 258 258 LYS C Protein S 4 FT #SUB 116 116 TYR B 260 260 TRP C Protein S 5 FT #SUB 117 117 THR B 115 115 ASP C Protein S 1 FT #SUB 117 117 THR B 117 117 THR C Protein S 1 FT #SUB 122 122 LYS B 260 260 TRP C Protein S 5 FT #SUB 153 153 ASN B 155 155 PHE C Protein S 2 FT #SUB 154 154 ARG B 214 214 ASN C Protein S 3 FT #SUB 154 154 ARG B 257 257 ILE C Protein S 3 FT #SUB 154 154 ARG B 258 258 LYS C Protein A 11 FT #SUB 154 154 ARG B 259 259 VAL C Protein S 1 FT #SUB 154 154 ARG B 260 260 TRP C Protein A 4 FT #SUB 155 155 PHE B 153 153 ASN C Protein S 1 FT #SUB 155 155 PHE B 155 155 PHE C Protein S 11 FT #SUB 155 155 PHE B 156 156 GLU C Protein S 3 FT #SUB 155 155 PHE B 185 185 PHE C Protein S 1 FT #SUB 155 155 PHE B 258 258 LYS C Protein A 2 FT #SUB 156 156 GLU B 155 155 PHE C Protein S 5 FT #SUB 157 157 ASN B 260 260 TRP C Protein B 1 FT #SUB 158 158 TYR B 260 260 TRP C Protein A 9 FT #SUB 161 161 ASN B 260 260 TRP C Protein S 3 FT #SUB 161 161 ASN B 261 261 ARG C Protein S 1 FT #SUB 162 162 THR B 261 261 ARG C Protein S 3 FT #SUB 185 185 PHE B 155 155 PHE C Protein S 3 FT #SUB 187 187 MET B 222 222 ARG C Protein B 1 FT #SUB 188 188 ASN B 188 188 ASN C Protein A 8 FT #SUB 188 188 ASN B 213 213 CYS C Protein B 1 FT #SUB 188 188 ASN B 222 222 ARG C Protein A 7 FT #SUB 189 189 ILE B 189 189 ILE C Protein S 2 FT #SUB 189 189 ILE B 213 213 CYS C Protein B 4 FT #SUB 189 189 ILE B 214 214 ASN C Protein B 3 FT #SUB 190 190 GLU B 214 214 ASN C Protein B 5 FT #SUB 190 190 GLU B 261 261 ARG C Protein A 6 FT #SUB 191 191 GLU B 214 214 ASN C Protein B 1 FT #SUB 191 191 GLU B 222 222 ARG C Protein B 6 FT #SUB 192 192 ASP B 214 214 ASN C Protein S 2 FT #SUB 192 192 ASP B 216 216 LYS C Protein S 5 FT #SUB 192 192 ASP B 222 222 ARG C Protein B 4 FT #SUB 194 194 ILE B 222 222 ARG C Protein S 5 FT #SUB 213 213 CYS B 188 188 ASN C Protein S 1 FT #SUB 213 213 CYS B 189 189 ILE C Protein A 5 FT #SUB 214 214 ASN B 154 154 ARG C Protein A 4 FT #SUB 214 214 ASN B 189 189 ILE C Protein A 3 FT #SUB 214 214 ASN B 190 190 GLU C Protein S 3 FT #SUB 214 214 ASN B 192 192 ASP C Protein S 5 FT #SUB 216 216 LYS B 192 192 ASP C Protein S 6 FT #SUB 222 222 ARG B 187 187 MET C Protein S 2 FT #SUB 222 222 ARG B 188 188 ASN C Protein S 7 FT #SUB 222 222 ARG B 191 191 GLU C Protein S 6 FT #SUB 222 222 ARG B 192 192 ASP C Protein S 4 FT #SUB 222 222 ARG B 194 194 ILE C Protein S 5 FT #SUB 257 257 ILE B 154 154 ARG C Protein B 2 FT #SUB 258 258 LYS B 116 116 TYR C Protein S 4 FT #SUB 258 258 LYS B 154 154 ARG C Protein A 9 FT #SUB 258 258 LYS B 155 155 PHE C Protein S 1 FT #SUB 260 260 TRP B 116 116 TYR C Protein S 2 FT #SUB 260 260 TRP B 120 120 ILE C Protein S 3 FT #SUB 260 260 TRP B 122 122 LYS C Protein A 5 FT #SUB 260 260 TRP B 154 154 ARG C Protein S 1 FT #SUB 260 260 TRP B 157 157 ASN C Protein S 1 FT #SUB 260 260 TRP B 158 158 TYR C Protein S 10 FT #SUB 260 260 TRP B 161 161 ASN C Protein S 2 FT #SUB 261 261 ARG B 161 161 ASN C Protein S 1 FT #SUB 261 261 ARG B 162 162 THR C Protein S 3 FT #SUB 261 261 ARG B 190 190 GLU C Protein S 4 FT #SUB 263 263 ILE B 154 154 ARG C Protein S 1 FT #SUB 192 192 ASP B 230 230 GLU D Protein B 2 FT #SUB 193 193 SER B 230 230 GLU D Protein S 4 FT #SUB 199 199 ARG B 199 199 ARG D Protein S 8 FT #SUB 230 230 GLU B 192 192 ASP D Protein S 2 FT #SUB 230 230 GLU B 193 193 SER D Protein S 4 FT #HET 6 6 TYR B 4 1301 FUD B S 5 FT #HET 14 14 TRP B 4 1301 FUD B S 7 FT #HET 112 112 TRP B 4 1301 FUD B S 5 FT #HET 150 150 GLU B 4 1301 FUD B S 8 FT #HET 150 150 GLU B 5 1302 MN B S 3 FT #HET 156 156 GLU B 4 1301 FUD B S 4 FT #HET 183 183 ASP B 4 1301 FUD B S 1 FT #HET 183 183 ASP B 5 1302 MN B S 3 FT #HET 186 186 HIS B 4 1301 FUD B S 7 FT #HET 192 192 ASP B 6 1303 MN B S 3 FT #HET 209 209 HIS B 4 1301 FUD B S 2 FT #HET 209 209 HIS B 5 1302 MN B S 4 FT #HET 215 215 ARG B 4 1301 FUD B S 6 FT #HET 230 230 GLU B 12 303 MN D S 1 FT #HET 244 244 GLU B 4 1301 FUD B S 15 FT #HET 244 244 GLU B 5 1302 MN B S 3 FT #HET 246 246 PHE B 4 1301 FUD B S 1 FT DISORDER 289 293 CC SEQUENCE 288 AA (ATOM); CC MKHGIYYAYW EQEWEADYKY YIEKVAKLGF DILEIAASPL PFYSDIQINE LKACAHGNGI CC TLTVGHGPSA EQNLSSPDPD IRKNAKAFYT DLLKRLYKLD VHLIGGALYS YWPIDYTKTI CC DKKGDWERSV ESVREVAKVA EACGVDFCLE VLNRFENYLI NTAQEGVDFV KQVDHNNVKV CC MLDTFHMNIE EDSIGGAIRT AGSYLGHLHT GECNRKVPGR GRIPWVEIGE ALADIGYNGS CC VVMEPFVRMG GTVGSNIKVW RDISNGADEK MLDREAQAAL DFSRYVLE CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MKHGIYYAYWEQEWEADYKYYIEKVAKLGFDILEIAASPLPFYSDIQINE CC ATOM MKHGIYYAYWEQEWEADYKYYIEKVAKLGFDILEIAASPLPFYSDIQINE CC ************************************************** CC SEQRES LKACAHGNGITLTVGHGPSAEQNLSSPDPDIRKNAKAFYTDLLKRLYKLD CC ATOM LKACAHGNGITLTVGHGPSAEQNLSSPDPDIRKNAKAFYTDLLKRLYKLD CC ************************************************** CC SEQRES VHLIGGALYSYWPIDYTKTIDKKGDWERSVESVREVAKVAEACGVDFCLE CC ATOM VHLIGGALYSYWPIDYTKTIDKKGDWERSVESVREVAKVAEACGVDFCLE CC ************************************************** CC SEQRES VLNRFENYLINTAQEGVDFVKQVDHNNVKVMLDTFHMNIEEDSIGGAIRT CC ATOM VLNRFENYLINTAQEGVDFVKQVDHNNVKVMLDTFHMNIEEDSIGGAIRT CC ************************************************** CC SEQRES AGSYLGHLHTGECNRKVPGRGRIPWVEIGEALADIGYNGSVVMEPFVRMG CC ATOM AGSYLGHLHTGECNRKVPGRGRIPWVEIGEALADIGYNGSVVMEPFVRMG CC ************************************************** CC SEQRES GTVGSNIKVWRDISNGADEKMLDREAQAALDFSRYVLECHKHS CC ATOM GTVGSNIKVWRDISNGADEKMLDREAQAALDFSRYVLE----- CC ************************************** SQ SEQUENCE 293 AA; MW; CN; MKHGIYYAYW EQEWEADYKY YIEKVAKLGF DILEIAASPL PFYSDIQINE LKACAHGNGI TLTVGHGPSA EQNLSSPDPD IRKNAKAFYT DLLKRLYKLD VHLIGGALYS YWPIDYTKTI DKKGDWERSV ESVREVAKVA EACGVDFCLE VLNRFENYLI NTAQEGVDFV KQVDHNNVKV MLDTFHMNIE EDSIGGAIRT AGSYLGHLHT GECNRKVPGR GRIPWVEIGE ALADIGYNGS VVMEPFVRMG GTVGSNIKVW RDISNGADEK MLDREAQAAL DFSRYVLECH KHS // ID 3VNKC STANDARD; PRT; 293 AA. DT CONVERTED FROM PDB (SEQRES) 3VNK DE Xylose isomerase domain protein TIM barrel OS Clostridium cellulolyticum CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.020 CC R-Factor 0.186 FT #SUB 193 193 SER C 230 230 GLU A Protein S 6 FT #SUB 230 230 GLU C 193 193 SER A Protein S 6 FT #SUB 115 115 ASP C 117 117 THR B Protein S 1 FT #SUB 116 116 TYR C 258 258 LYS B Protein S 4 FT #SUB 116 116 TYR C 260 260 TRP B Protein S 2 FT #SUB 117 117 THR C 115 115 ASP B Protein S 1 FT #SUB 117 117 THR C 117 117 THR B Protein S 1 FT #SUB 120 120 ILE C 260 260 TRP B Protein S 3 FT #SUB 122 122 LYS C 260 260 TRP B Protein S 5 FT #SUB 153 153 ASN C 155 155 PHE B Protein S 1 FT #SUB 154 154 ARG C 214 214 ASN B Protein S 4 FT #SUB 154 154 ARG C 257 257 ILE B Protein S 2 FT #SUB 154 154 ARG C 258 258 LYS B Protein A 9 FT #SUB 154 154 ARG C 260 260 TRP B Protein B 1 FT #SUB 154 154 ARG C 263 263 ILE B Protein S 1 FT #SUB 155 155 PHE C 153 153 ASN B Protein S 2 FT #SUB 155 155 PHE C 155 155 PHE B Protein S 11 FT #SUB 155 155 PHE C 156 156 GLU B Protein S 5 FT #SUB 155 155 PHE C 185 185 PHE B Protein S 3 FT #SUB 155 155 PHE C 258 258 LYS B Protein S 1 FT #SUB 156 156 GLU C 155 155 PHE B Protein S 3 FT #SUB 157 157 ASN C 260 260 TRP B Protein B 1 FT #SUB 158 158 TYR C 260 260 TRP B Protein A 10 FT #SUB 161 161 ASN C 260 260 TRP B Protein S 2 FT #SUB 161 161 ASN C 261 261 ARG B Protein S 1 FT #SUB 162 162 THR C 261 261 ARG B Protein S 3 FT #SUB 185 185 PHE C 155 155 PHE B Protein S 1 FT #SUB 187 187 MET C 222 222 ARG B Protein B 2 FT #SUB 188 188 ASN C 188 188 ASN B Protein A 8 FT #SUB 188 188 ASN C 213 213 CYS B Protein B 1 FT #SUB 188 188 ASN C 222 222 ARG B Protein A 7 FT #SUB 189 189 ILE C 189 189 ILE B Protein S 2 FT #SUB 189 189 ILE C 213 213 CYS B Protein B 5 FT #SUB 189 189 ILE C 214 214 ASN B Protein B 3 FT #SUB 190 190 GLU C 214 214 ASN B Protein B 3 FT #SUB 190 190 GLU C 261 261 ARG B Protein A 4 FT #SUB 191 191 GLU C 222 222 ARG B Protein B 6 FT #SUB 192 192 ASP C 214 214 ASN B Protein A 5 FT #SUB 192 192 ASP C 216 216 LYS B Protein S 6 FT #SUB 192 192 ASP C 222 222 ARG B Protein B 4 FT #SUB 194 194 ILE C 222 222 ARG B Protein A 5 FT #SUB 213 213 CYS C 188 188 ASN B Protein S 1 FT #SUB 213 213 CYS C 189 189 ILE B Protein A 4 FT #SUB 214 214 ASN C 154 154 ARG B Protein B 3 FT #SUB 214 214 ASN C 189 189 ILE B Protein A 3 FT #SUB 214 214 ASN C 190 190 GLU B Protein S 5 FT #SUB 214 214 ASN C 191 191 GLU B Protein S 1 FT #SUB 214 214 ASN C 192 192 ASP B Protein S 2 FT #SUB 216 216 LYS C 192 192 ASP B Protein S 5 FT #SUB 222 222 ARG C 187 187 MET B Protein S 1 FT #SUB 222 222 ARG C 188 188 ASN B Protein S 7 FT #SUB 222 222 ARG C 191 191 GLU B Protein S 6 FT #SUB 222 222 ARG C 192 192 ASP B Protein S 4 FT #SUB 222 222 ARG C 194 194 ILE B Protein S 5 FT #SUB 257 257 ILE C 154 154 ARG B Protein A 3 FT #SUB 258 258 LYS C 116 116 TYR B Protein S 4 FT #SUB 258 258 LYS C 154 154 ARG B Protein A 11 FT #SUB 258 258 LYS C 155 155 PHE B Protein S 2 FT #SUB 259 259 VAL C 154 154 ARG B Protein S 1 FT #SUB 260 260 TRP C 116 116 TYR B Protein S 5 FT #SUB 260 260 TRP C 122 122 LYS B Protein A 5 FT #SUB 260 260 TRP C 154 154 ARG B Protein S 4 FT #SUB 260 260 TRP C 157 157 ASN B Protein S 1 FT #SUB 260 260 TRP C 158 158 TYR B Protein S 9 FT #SUB 260 260 TRP C 161 161 ASN B Protein S 3 FT #SUB 261 261 ARG C 161 161 ASN B Protein S 1 FT #SUB 261 261 ARG C 162 162 THR B Protein S 3 FT #SUB 261 261 ARG C 190 190 GLU B Protein S 6 FT #SUB 217 217 VAL C 285 285 TYR D Protein S 1 FT #SUB 218 218 PRO C 285 285 TYR D Protein B 4 FT #SUB 219 219 GLY C 226 226 VAL D Protein B 1 FT #SUB 219 219 GLY C 286 286 VAL D Protein B 1 FT #SUB 220 220 ARG C 226 226 VAL D Protein B 3 FT #SUB 220 220 ARG C 285 285 TYR D Protein S 9 FT #SUB 220 220 ARG C 288 288 GLU D Protein S 1 FT #SUB 221 221 GLY C 226 226 VAL D Protein B 3 FT #SUB 226 226 VAL C 219 219 GLY D Protein S 1 FT #SUB 226 226 VAL C 220 220 ARG D Protein S 1 FT #SUB 226 226 VAL C 221 221 GLY D Protein S 2 FT #SUB 278 278 ALA C 285 285 TYR D Protein S 2 FT #SUB 279 279 ALA C 285 285 TYR D Protein A 3 FT #SUB 282 282 PHE C 282 282 PHE D Protein S 3 FT #SUB 282 282 PHE C 285 285 TYR D Protein S 5 FT #SUB 282 282 PHE C 286 286 VAL D Protein S 1 FT #SUB 285 285 TYR C 217 217 VAL D Protein S 1 FT #SUB 285 285 TYR C 218 218 PRO D Protein S 4 FT #SUB 285 285 TYR C 219 219 GLY D Protein S 1 FT #SUB 285 285 TYR C 220 220 ARG D Protein A 8 FT #SUB 285 285 TYR C 278 278 ALA D Protein S 2 FT #SUB 285 285 TYR C 279 279 ALA D Protein S 2 FT #SUB 285 285 TYR C 282 282 PHE D Protein S 5 FT #SUB 286 286 VAL C 220 220 ARG D Protein B 3 FT #SUB 288 288 GLU C 220 220 ARG D Protein B 4 FT #SUB 289 289 CYS C 220 220 ARG D Protein B 2 FT #HET 6 6 TYR C 7 301 FUD C S 5 FT #HET 14 14 TRP C 7 301 FUD C S 5 FT #HET 106 106 GLY C 7 301 FUD C B 1 FT #HET 112 112 TRP C 7 301 FUD C S 5 FT #HET 150 150 GLU C 7 301 FUD C S 10 FT #HET 150 150 GLU C 8 302 MN C S 3 FT #HET 156 156 GLU C 7 301 FUD C S 4 FT #HET 183 183 ASP C 7 301 FUD C S 1 FT #HET 183 183 ASP C 8 302 MN C S 3 FT #HET 186 186 HIS C 7 301 FUD C S 6 FT #HET 209 209 HIS C 7 301 FUD C S 2 FT #HET 209 209 HIS C 8 302 MN C S 4 FT #HET 215 215 ARG C 7 301 FUD C S 5 FT #HET 216 216 LYS C 9 303 MN C S 1 FT #HET 220 220 ARG C 6 1303 MN B B 1 FT #HET 220 220 ARG C 9 303 MN C S 1 FT #HET 244 244 GLU C 7 301 FUD C S 13 FT #HET 244 244 GLU C 8 302 MN C S 3 FT #HET 246 246 PHE C 7 301 FUD C S 1 FT DISORDER 290 293 CC SEQUENCE 289 AA (ATOM); CC MKHGIYYAYW EQEWEADYKY YIEKVAKLGF DILEIAASPL PFYSDIQINE LKACAHGNGI CC TLTVGHGPSA EQNLSSPDPD IRKNAKAFYT DLLKRLYKLD VHLIGGALYS YWPIDYTKTI CC DKKGDWERSV ESVREVAKVA EACGVDFCLE VLNRFENYLI NTAQEGVDFV KQVDHNNVKV CC MLDTFHMNIE EDSIGGAIRT AGSYLGHLHT GECNRKVPGR GRIPWVEIGE ALADIGYNGS CC VVMEPFVRMG GTVGSNIKVW RDISNGADEK MLDREAQAAL DFSRYVLEC CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MKHGIYYAYWEQEWEADYKYYIEKVAKLGFDILEIAASPLPFYSDIQINE CC ATOM MKHGIYYAYWEQEWEADYKYYIEKVAKLGFDILEIAASPLPFYSDIQINE CC ************************************************** CC SEQRES LKACAHGNGITLTVGHGPSAEQNLSSPDPDIRKNAKAFYTDLLKRLYKLD CC ATOM LKACAHGNGITLTVGHGPSAEQNLSSPDPDIRKNAKAFYTDLLKRLYKLD CC ************************************************** CC SEQRES VHLIGGALYSYWPIDYTKTIDKKGDWERSVESVREVAKVAEACGVDFCLE CC ATOM VHLIGGALYSYWPIDYTKTIDKKGDWERSVESVREVAKVAEACGVDFCLE CC ************************************************** CC SEQRES VLNRFENYLINTAQEGVDFVKQVDHNNVKVMLDTFHMNIEEDSIGGAIRT CC ATOM VLNRFENYLINTAQEGVDFVKQVDHNNVKVMLDTFHMNIEEDSIGGAIRT CC ************************************************** CC SEQRES AGSYLGHLHTGECNRKVPGRGRIPWVEIGEALADIGYNGSVVMEPFVRMG CC ATOM AGSYLGHLHTGECNRKVPGRGRIPWVEIGEALADIGYNGSVVMEPFVRMG CC ************************************************** CC SEQRES GTVGSNIKVWRDISNGADEKMLDREAQAALDFSRYVLECHKHS CC ATOM GTVGSNIKVWRDISNGADEKMLDREAQAALDFSRYVLEC---- CC *************************************** SQ SEQUENCE 293 AA; MW; CN; MKHGIYYAYW EQEWEADYKY YIEKVAKLGF DILEIAASPL PFYSDIQINE LKACAHGNGI TLTVGHGPSA EQNLSSPDPD IRKNAKAFYT DLLKRLYKLD VHLIGGALYS YWPIDYTKTI DKKGDWERSV ESVREVAKVA EACGVDFCLE VLNRFENYLI NTAQEGVDFV KQVDHNNVKV MLDTFHMNIE EDSIGGAIRT AGSYLGHLHT GECNRKVPGR GRIPWVEIGE ALADIGYNGS VVMEPFVRMG GTVGSNIKVW RDISNGADEK MLDREAQAAL DFSRYVLECH KHS // ID 3VNKD STANDARD; PRT; 293 AA. DT CONVERTED FROM PDB (SEQRES) 3VNK DE Xylose isomerase domain protein TIM barrel OS Clostridium cellulolyticum CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.020 CC R-Factor 0.186 FT #SUB 115 115 ASP D 117 117 THR A Protein S 3 FT #SUB 116 116 TYR D 258 258 LYS A Protein S 7 FT #SUB 116 116 TYR D 260 260 TRP A Protein S 5 FT #SUB 120 120 ILE D 260 260 TRP A Protein S 1 FT #SUB 122 122 LYS D 260 260 TRP A Protein S 5 FT #SUB 153 153 ASN D 155 155 PHE A Protein S 1 FT #SUB 154 154 ARG D 214 214 ASN A Protein S 4 FT #SUB 154 154 ARG D 257 257 ILE A Protein S 2 FT #SUB 154 154 ARG D 258 258 LYS A Protein A 11 FT #SUB 154 154 ARG D 260 260 TRP A Protein A 3 FT #SUB 154 154 ARG D 263 263 ILE A Protein S 1 FT #SUB 155 155 PHE D 153 153 ASN A Protein S 1 FT #SUB 155 155 PHE D 155 155 PHE A Protein S 11 FT #SUB 155 155 PHE D 156 156 GLU A Protein S 4 FT #SUB 155 155 PHE D 185 185 PHE A Protein S 2 FT #SUB 156 156 GLU D 155 155 PHE A Protein S 4 FT #SUB 157 157 ASN D 260 260 TRP A Protein B 1 FT #SUB 158 158 TYR D 260 260 TRP A Protein A 10 FT #SUB 161 161 ASN D 260 260 TRP A Protein S 2 FT #SUB 161 161 ASN D 261 261 ARG A Protein S 1 FT #SUB 162 162 THR D 261 261 ARG A Protein S 4 FT #SUB 185 185 PHE D 155 155 PHE A Protein S 3 FT #SUB 187 187 MET D 222 222 ARG A Protein B 1 FT #SUB 188 188 ASN D 188 188 ASN A Protein A 7 FT #SUB 188 188 ASN D 213 213 CYS A Protein B 1 FT #SUB 188 188 ASN D 222 222 ARG A Protein A 6 FT #SUB 189 189 ILE D 189 189 ILE A Protein S 3 FT #SUB 189 189 ILE D 213 213 CYS A Protein B 5 FT #SUB 189 189 ILE D 214 214 ASN A Protein B 3 FT #SUB 189 189 ILE D 222 222 ARG A Protein B 1 FT #SUB 190 190 GLU D 214 214 ASN A Protein B 5 FT #SUB 190 190 GLU D 261 261 ARG A Protein A 6 FT #SUB 191 191 GLU D 214 214 ASN A Protein B 1 FT #SUB 191 191 GLU D 222 222 ARG A Protein B 5 FT #SUB 192 192 ASP D 214 214 ASN A Protein A 3 FT #SUB 192 192 ASP D 216 216 LYS A Protein S 5 FT #SUB 192 192 ASP D 222 222 ARG A Protein B 4 FT #SUB 194 194 ILE D 222 222 ARG A Protein S 4 FT #SUB 213 213 CYS D 188 188 ASN A Protein S 1 FT #SUB 213 213 CYS D 189 189 ILE A Protein A 5 FT #SUB 214 214 ASN D 154 154 ARG A Protein B 2 FT #SUB 214 214 ASN D 189 189 ILE A Protein A 3 FT #SUB 214 214 ASN D 190 190 GLU A Protein S 5 FT #SUB 214 214 ASN D 191 191 GLU A Protein S 1 FT #SUB 214 214 ASN D 192 192 ASP A Protein S 5 FT #SUB 215 215 ARG D 154 154 ARG A Protein S 1 FT #SUB 216 216 LYS D 192 192 ASP A Protein S 5 FT #SUB 222 222 ARG D 187 187 MET A Protein S 1 FT #SUB 222 222 ARG D 188 188 ASN A Protein S 6 FT #SUB 222 222 ARG D 191 191 GLU A Protein S 5 FT #SUB 222 222 ARG D 192 192 ASP A Protein S 4 FT #SUB 222 222 ARG D 194 194 ILE A Protein S 5 FT #SUB 257 257 ILE D 154 154 ARG A Protein A 3 FT #SUB 258 258 LYS D 116 116 TYR A Protein S 3 FT #SUB 258 258 LYS D 154 154 ARG A Protein A 9 FT #SUB 260 260 TRP D 116 116 TYR A Protein S 8 FT #SUB 260 260 TRP D 120 120 ILE A Protein S 2 FT #SUB 260 260 TRP D 122 122 LYS A Protein A 5 FT #SUB 260 260 TRP D 154 154 ARG A Protein S 3 FT #SUB 260 260 TRP D 157 157 ASN A Protein S 1 FT #SUB 260 260 TRP D 158 158 TYR A Protein S 8 FT #SUB 260 260 TRP D 161 161 ASN A Protein S 3 FT #SUB 261 261 ARG D 161 161 ASN A Protein S 1 FT #SUB 261 261 ARG D 162 162 THR A Protein S 3 FT #SUB 261 261 ARG D 165 165 GLU A Protein S 1 FT #SUB 261 261 ARG D 190 190 GLU A Protein S 6 FT #SUB 263 263 ILE D 154 154 ARG A Protein S 1 FT #SUB 192 192 ASP D 230 230 GLU B Protein B 2 FT #SUB 193 193 SER D 230 230 GLU B Protein S 4 FT #SUB 199 199 ARG D 199 199 ARG B Protein S 8 FT #SUB 230 230 GLU D 192 192 ASP B Protein S 2 FT #SUB 230 230 GLU D 193 193 SER B Protein S 4 FT #SUB 217 217 VAL D 285 285 TYR C Protein S 1 FT #SUB 218 218 PRO D 285 285 TYR C Protein B 4 FT #SUB 219 219 GLY D 226 226 VAL C Protein B 1 FT #SUB 219 219 GLY D 285 285 TYR C Protein B 1 FT #SUB 220 220 ARG D 226 226 VAL C Protein B 1 FT #SUB 220 220 ARG D 285 285 TYR C Protein S 8 FT #SUB 220 220 ARG D 286 286 VAL C Protein S 3 FT #SUB 220 220 ARG D 288 288 GLU C Protein S 4 FT #SUB 220 220 ARG D 289 289 CYS C Protein S 2 FT #SUB 221 221 GLY D 226 226 VAL C Protein B 2 FT #SUB 226 226 VAL D 219 219 GLY C Protein S 1 FT #SUB 226 226 VAL D 220 220 ARG C Protein S 3 FT #SUB 226 226 VAL D 221 221 GLY C Protein S 3 FT #SUB 278 278 ALA D 285 285 TYR C Protein S 2 FT #SUB 279 279 ALA D 285 285 TYR C Protein A 2 FT #SUB 282 282 PHE D 282 282 PHE C Protein S 3 FT #SUB 282 282 PHE D 285 285 TYR C Protein S 5 FT #SUB 285 285 TYR D 217 217 VAL C Protein S 1 FT #SUB 285 285 TYR D 218 218 PRO C Protein S 4 FT #SUB 285 285 TYR D 220 220 ARG C Protein A 9 FT #SUB 285 285 TYR D 278 278 ALA C Protein S 2 FT #SUB 285 285 TYR D 279 279 ALA C Protein S 3 FT #SUB 285 285 TYR D 282 282 PHE C Protein S 5 FT #SUB 286 286 VAL D 219 219 GLY C Protein S 1 FT #SUB 286 286 VAL D 282 282 PHE C Protein S 1 FT #SUB 288 288 GLU D 220 220 ARG C Protein B 1 FT #HET 6 6 TYR D 10 301 FUD D S 5 FT #HET 14 14 TRP D 10 301 FUD D S 5 FT #HET 67 67 GLY D 10 301 FUD D B 1 FT #HET 106 106 GLY D 10 301 FUD D B 1 FT #HET 112 112 TRP D 10 301 FUD D S 4 FT #HET 150 150 GLU D 10 301 FUD D S 10 FT #HET 150 150 GLU D 11 302 MN D S 3 FT #HET 156 156 GLU D 10 301 FUD D S 4 FT #HET 183 183 ASP D 10 301 FUD D S 1 FT #HET 183 183 ASP D 11 302 MN D S 3 FT #HET 186 186 HIS D 10 301 FUD D S 7 FT #HET 192 192 ASP D 12 303 MN D S 3 FT #HET 209 209 HIS D 10 301 FUD D S 2 FT #HET 209 209 HIS D 11 302 MN D S 4 FT #HET 215 215 ARG D 10 301 FUD D S 6 FT #HET 230 230 GLU D 6 1303 MN B S 1 FT #HET 244 244 GLU D 10 301 FUD D S 15 FT #HET 244 244 GLU D 11 302 MN D S 3 FT #HET 246 246 PHE D 10 301 FUD D S 1 FT DISORDER 289 293 CC SEQUENCE 288 AA (ATOM); CC MKHGIYYAYW EQEWEADYKY YIEKVAKLGF DILEIAASPL PFYSDIQINE LKACAHGNGI CC TLTVGHGPSA EQNLSSPDPD IRKNAKAFYT DLLKRLYKLD VHLIGGALYS YWPIDYTKTI CC DKKGDWERSV ESVREVAKVA EACGVDFCLE VLNRFENYLI NTAQEGVDFV KQVDHNNVKV CC MLDTFHMNIE EDSIGGAIRT AGSYLGHLHT GECNRKVPGR GRIPWVEIGE ALADIGYNGS CC VVMEPFVRMG GTVGSNIKVW RDISNGADEK MLDREAQAAL DFSRYVLE CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MKHGIYYAYWEQEWEADYKYYIEKVAKLGFDILEIAASPLPFYSDIQINE CC ATOM MKHGIYYAYWEQEWEADYKYYIEKVAKLGFDILEIAASPLPFYSDIQINE CC ************************************************** CC SEQRES LKACAHGNGITLTVGHGPSAEQNLSSPDPDIRKNAKAFYTDLLKRLYKLD CC ATOM LKACAHGNGITLTVGHGPSAEQNLSSPDPDIRKNAKAFYTDLLKRLYKLD CC ************************************************** CC SEQRES VHLIGGALYSYWPIDYTKTIDKKGDWERSVESVREVAKVAEACGVDFCLE CC ATOM VHLIGGALYSYWPIDYTKTIDKKGDWERSVESVREVAKVAEACGVDFCLE CC ************************************************** CC SEQRES VLNRFENYLINTAQEGVDFVKQVDHNNVKVMLDTFHMNIEEDSIGGAIRT CC ATOM VLNRFENYLINTAQEGVDFVKQVDHNNVKVMLDTFHMNIEEDSIGGAIRT CC ************************************************** CC SEQRES AGSYLGHLHTGECNRKVPGRGRIPWVEIGEALADIGYNGSVVMEPFVRMG CC ATOM AGSYLGHLHTGECNRKVPGRGRIPWVEIGEALADIGYNGSVVMEPFVRMG CC ************************************************** CC SEQRES GTVGSNIKVWRDISNGADEKMLDREAQAALDFSRYVLECHKHS CC ATOM GTVGSNIKVWRDISNGADEKMLDREAQAALDFSRYVLE----- CC ************************************** SQ SEQUENCE 293 AA; MW; CN; MKHGIYYAYW EQEWEADYKY YIEKVAKLGF DILEIAASPL PFYSDIQINE LKACAHGNGI TLTVGHGPSA EQNLSSPDPD IRKNAKAFYT DLLKRLYKLD VHLIGGALYS YWPIDYTKTI DKKGDWERSV ESVREVAKVA EACGVDFCLE VLNRFENYLI NTAQEGVDFV KQVDHNNVKV MLDTFHMNIE EDSIGGAIRT AGSYLGHLHT GECNRKVPGR GRIPWVEIGE ALADIGYNGS VVMEPFVRMG GTVGSNIKVW RDISNGADEK MLDREAQAAL DFSRYVLECH KHS //