ID 2GRUA STANDARD; PRT; 368 AA. DT CONVERTED FROM PDB (SEQRES) 2GRU DE 2-deoxy-scyllo-inosose synthase OS Bacillus circulans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.150 CC R-Factor 0.176 FT #SUB 77 77 LEU A 81 81 THR B Protein S 2 FT #SUB 81 81 THR A 77 77 LEU B Protein S 2 FT #SUB 84 84 GLN A 77 77 LEU B Protein S 1 FT #SUB 84 84 GLN A 153 153 VAL B Protein S 3 FT #SUB 85 85 GLU A 146 146 LEU B Protein S 2 FT #SUB 85 85 GLU A 147 147 THR B Protein S 3 FT #SUB 88 88 ILE A 146 146 LEU B Protein S 1 FT #SUB 88 88 ILE A 148 148 SER B Protein S 3 FT #SUB 93 93 ASN A 321 321 ASN B Protein A 3 FT #SUB 94 94 ARG A 321 321 ASN B Protein A 8 FT #SUB 112 112 VAL A 116 116 MET B Protein S 1 FT #SUB 115 115 GLY A 154 154 GLY B Protein B 1 FT #SUB 116 116 MET A 77 77 LEU B Protein S 1 FT #SUB 116 116 MET A 112 112 VAL B Protein S 1 FT #SUB 116 116 MET A 116 116 MET B Protein S 1 FT #SUB 116 116 MET A 152 152 LEU B Protein B 1 FT #SUB 116 116 MET A 153 153 VAL B Protein B 2 FT #SUB 116 116 MET A 154 154 GLY B Protein A 8 FT #SUB 117 117 MET A 152 152 LEU B Protein B 2 FT #SUB 118 118 PHE A 152 152 LEU B Protein A 5 FT #SUB 119 119 ARG A 141 141 LYS B Protein S 8 FT #SUB 119 119 ARG A 142 142 GLN B Protein S 4 FT #SUB 119 119 ARG A 143 143 ALA B Protein S 3 FT #SUB 119 119 ARG A 154 154 GLY B Protein A 5 FT #SUB 119 119 ARG A 155 155 PHE B Protein S 3 FT #SUB 119 119 ARG A 156 156 TYR B Protein A 2 FT #SUB 141 141 LYS A 119 119 ARG B Protein S 7 FT #SUB 142 142 GLN A 119 119 ARG B Protein B 1 FT #SUB 143 143 ALA A 119 119 ARG B Protein S 3 FT #SUB 146 146 LEU A 85 85 GLU B Protein A 7 FT #SUB 146 146 LEU A 88 88 ILE B Protein S 1 FT #SUB 147 147 THR A 85 85 GLU B Protein A 9 FT #SUB 148 148 SER A 85 85 GLU B Protein S 1 FT #SUB 148 148 SER A 88 88 ILE B Protein S 3 FT #SUB 152 152 LEU A 116 116 MET B Protein B 1 FT #SUB 152 152 LEU A 117 117 MET B Protein B 2 FT #SUB 152 152 LEU A 118 118 PHE B Protein A 5 FT #SUB 153 153 VAL A 84 84 GLN B Protein S 3 FT #SUB 153 153 VAL A 116 116 MET B Protein A 3 FT #SUB 154 154 GLY A 115 115 GLY B Protein B 1 FT #SUB 154 154 GLY A 116 116 MET B Protein B 9 FT #SUB 154 154 GLY A 119 119 ARG B Protein B 5 FT #SUB 155 155 PHE A 116 116 MET B Protein S 1 FT #SUB 155 155 PHE A 119 119 ARG B Protein B 4 FT #SUB 155 155 PHE A 155 155 PHE B Protein S 1 FT #SUB 156 156 TYR A 119 119 ARG B Protein S 3 FT #SUB 321 321 ASN A 94 94 ARG B Protein B 4 FT #SUB 321 321 ASN A 118 118 PHE B Protein B 2 FT #SUB 322 322 LYS A 94 94 ARG B Protein B 2 FT #SUB 323 323 ARG A 94 94 ARG B Protein B 6 FT #SUB 324 324 GLY A 94 94 ARG B Protein B 8 FT #SUB 325 325 TYR A 95 95 ARG B Protein S 2 FT #HET 42 42 ASP A 4 603 NAD A S 4 FT #HET 44 44 GLY A 4 603 NAD A B 7 FT #HET 45 45 VAL A 4 603 NAD A A 3 FT #HET 46 46 PRO A 4 603 NAD A S 8 FT #HET 48 48 SER A 6 611 MPD A B 2 FT #HET 49 49 ILE A 4 603 NAD A S 1 FT #HET 49 49 ILE A 6 611 MPD A A 3 FT #HET 52 52 TYR A 6 611 MPD A S 4 FT #HET 72 72 GLU A 4 603 NAD A S 3 FT #HET 75 75 LYS A 4 603 NAD A S 5 FT #HET 103 103 GLY A 4 603 NAD A B 5 FT #HET 104 104 GLY A 4 603 NAD A B 17 FT #HET 105 105 LEU A 4 603 NAD A A 8 FT #HET 108 108 ASN A 4 603 NAD A S 5 FT #HET 119 119 ARG A 9 604 NAD B S 3 FT #HET 119 119 ARG A 10 609 CAK B S 8 FT #HET 128 128 THR A 4 603 NAD A A 11 FT #HET 129 129 THR A 4 603 NAD A S 6 FT #HET 131 131 LEU A 4 603 NAD A S 3 FT #HET 132 132 ALA A 4 603 NAD A A 2 FT #HET 135 135 ASP A 1 601 CO A S 1 FT #HET 135 135 ASP A 5 607 EXO A S 12 FT #HET 136 136 SER A 4 603 NAD A A 11 FT #HET 139 139 SER A 4 603 NAD A S 4 FT #HET 141 141 LYS A 3 608 PO4 A S 7 FT #HET 141 141 LYS A 4 603 NAD A A 3 FT #HET 151 151 ASN A 3 608 PO4 A S 3 FT #HET 151 151 ASN A 4 603 NAD A S 1 FT #HET 167 167 ARG A 6 611 MPD A S 3 FT #HET 168 168 ILE A 6 611 MPD A S 2 FT #HET 171 171 GLU A 6 611 MPD A S 3 FT #HET 173 173 PRO A 4 603 NAD A S 3 FT #HET 176 176 GLN A 4 603 NAD A S 6 FT #HET 183 183 GLU A 1 601 CO A S 3 FT #HET 183 183 GLU A 5 607 EXO A S 3 FT #HET 186 186 LYS A 5 607 EXO A S 5 FT #HET 225 225 LYS A 5 607 EXO A S 6 FT #HET 235 235 GLU A 5 607 EXO A S 5 FT #HET 242 242 PHE A 5 607 EXO A A 6 FT #HET 243 243 GLU A 2 605 SO3 A B 2 FT #HET 243 243 GLU A 5 607 EXO A S 1 FT #HET 244 244 TYR A 2 605 SO3 A A 4 FT #HET 245 245 GLY A 2 605 SO3 A B 8 FT #HET 246 246 HIS A 1 601 CO A S 3 FT #HET 246 246 HIS A 2 605 SO3 A B 4 FT #HET 246 246 HIS A 5 607 EXO A S 6 FT #HET 247 247 THR A 2 605 SO3 A A 9 FT #HET 248 248 ILE A 2 605 SO3 A B 1 FT #HET 262 262 HIS A 1 601 CO A S 3 FT #HET 262 262 HIS A 5 607 EXO A S 2 FT #HET 273 273 ALA A 2 605 SO3 A S 1 FT #HET 322 322 LYS A 3 608 PO4 A S 2 FT #HET 335 335 MET A 2 605 SO3 A A 7 FT #HET 336 336 ILE A 2 605 SO3 A A 10 FT DISORDER 1 1 CC SEQUENCE 367 AA (ATOM); CC TTKQICFADR CFNFAFGEHV LESVESYIPR DEFDQYIMIS DSGVPDSIVH YAAEYFGKLA CC PVHILRFQGG EEYKTLSTVT NLQERAIALG ANRRTAIVAV GGGLTGNVAG VAAGMMFRGI CC ALIHVPTTFL AASDSVLSIK QAVNLTSGKN LVGFYYPPRF VFADTRILSE SPPRQVKAGM CC CELVKNMLIL ENDNKEFTED DLNSANVYSP KQLETFINFC ISAKMSVLSE DIYEKKKGLI CC FEYGHTIGHA IELAEQGGIT HGEAIAVGMI YAAKIANRMN LMPEHDVSAH YWLLNKIGAL CC QDIPLKSDPD SIFHYLIHDN KRGYIKLDED NLGMILLSGV GKPAMYNQTL LTPVRKTLIK CC EVIREGL CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MTTKQICFADRCFNFAFGEHVLESVESYIPRDEFDQYIMISDSGVPDSIV CC ATOM -TTKQICFADRCFNFAFGEHVLESVESYIPRDEFDQYIMISDSGVPDSIV CC ************************************************* CC SEQRES HYAAEYFGKLAPVHILRFQGGEEYKTLSTVTNLQERAIALGANRRTAIVA CC ATOM HYAAEYFGKLAPVHILRFQGGEEYKTLSTVTNLQERAIALGANRRTAIVA CC ************************************************** CC SEQRES VGGGLTGNVAGVAAGMMFRGIALIHVPTTFLAASDSVLSIKQAVNLTSGK CC ATOM VGGGLTGNVAGVAAGMMFRGIALIHVPTTFLAASDSVLSIKQAVNLTSGK CC ************************************************** CC SEQRES NLVGFYYPPRFVFADTRILSESPPRQVKAGMCELVKNMLILENDNKEFTE CC ATOM NLVGFYYPPRFVFADTRILSESPPRQVKAGMCELVKNMLILENDNKEFTE CC ************************************************** CC SEQRES DDLNSANVYSPKQLETFINFCISAKMSVLSEDIYEKKKGLIFEYGHTIGH CC ATOM DDLNSANVYSPKQLETFINFCISAKMSVLSEDIYEKKKGLIFEYGHTIGH CC ************************************************** CC SEQRES AIELAEQGGITHGEAIAVGMIYAAKIANRMNLMPEHDVSAHYWLLNKIGA CC ATOM AIELAEQGGITHGEAIAVGMIYAAKIANRMNLMPEHDVSAHYWLLNKIGA CC ************************************************** CC SEQRES LQDIPLKSDPDSIFHYLIHDNKRGYIKLDEDNLGMILLSGVGKPAMYNQT CC ATOM LQDIPLKSDPDSIFHYLIHDNKRGYIKLDEDNLGMILLSGVGKPAMYNQT CC ************************************************** CC SEQRES LLTPVRKTLIKEVIREGL CC ATOM LLTPVRKTLIKEVIREGL CC ****************** SQ SEQUENCE 368 AA; MW; CN; MTTKQICFAD RCFNFAFGEH VLESVESYIP RDEFDQYIMI SDSGVPDSIV HYAAEYFGKL APVHILRFQG GEEYKTLSTV TNLQERAIAL GANRRTAIVA VGGGLTGNVA GVAAGMMFRG IALIHVPTTF LAASDSVLSI KQAVNLTSGK NLVGFYYPPR FVFADTRILS ESPPRQVKAG MCELVKNMLI LENDNKEFTE DDLNSANVYS PKQLETFINF CISAKMSVLS EDIYEKKKGL IFEYGHTIGH AIELAEQGGI THGEAIAVGM IYAAKIANRM NLMPEHDVSA HYWLLNKIGA LQDIPLKSDP DSIFHYLIHD NKRGYIKLDE DNLGMILLSG VGKPAMYNQT LLTPVRKTLI KEVIREGL // ID 2GRUB STANDARD; PRT; 368 AA. DT CONVERTED FROM PDB (SEQRES) 2GRU DE 2-deoxy-scyllo-inosose synthase OS Bacillus circulans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.150 CC R-Factor 0.176 FT #SUB 77 77 LEU B 81 81 THR A Protein S 2 FT #SUB 77 77 LEU B 84 84 GLN A Protein S 1 FT #SUB 77 77 LEU B 116 116 MET A Protein S 1 FT #SUB 81 81 THR B 77 77 LEU A Protein S 2 FT #SUB 84 84 GLN B 153 153 VAL A Protein S 3 FT #SUB 85 85 GLU B 146 146 LEU A Protein S 7 FT #SUB 85 85 GLU B 147 147 THR A Protein S 9 FT #SUB 85 85 GLU B 148 148 SER A Protein S 1 FT #SUB 88 88 ILE B 146 146 LEU A Protein S 1 FT #SUB 88 88 ILE B 148 148 SER A Protein S 3 FT #SUB 94 94 ARG B 321 321 ASN A Protein S 4 FT #SUB 94 94 ARG B 322 322 LYS A Protein S 2 FT #SUB 94 94 ARG B 323 323 ARG A Protein S 6 FT #SUB 94 94 ARG B 324 324 GLY A Protein S 8 FT #SUB 95 95 ARG B 325 325 TYR A Protein S 2 FT #SUB 112 112 VAL B 116 116 MET A Protein S 1 FT #SUB 115 115 GLY B 154 154 GLY A Protein B 1 FT #SUB 116 116 MET B 112 112 VAL A Protein S 1 FT #SUB 116 116 MET B 116 116 MET A Protein S 1 FT #SUB 116 116 MET B 152 152 LEU A Protein B 1 FT #SUB 116 116 MET B 153 153 VAL A Protein B 3 FT #SUB 116 116 MET B 154 154 GLY A Protein A 9 FT #SUB 116 116 MET B 155 155 PHE A Protein S 1 FT #SUB 117 117 MET B 152 152 LEU A Protein B 2 FT #SUB 118 118 PHE B 152 152 LEU A Protein A 5 FT #SUB 118 118 PHE B 321 321 ASN A Protein S 2 FT #SUB 119 119 ARG B 141 141 LYS A Protein S 7 FT #SUB 119 119 ARG B 142 142 GLN A Protein S 1 FT #SUB 119 119 ARG B 143 143 ALA A Protein S 3 FT #SUB 119 119 ARG B 154 154 GLY A Protein A 5 FT #SUB 119 119 ARG B 155 155 PHE A Protein S 4 FT #SUB 119 119 ARG B 156 156 TYR A Protein A 3 FT #SUB 141 141 LYS B 119 119 ARG A Protein S 8 FT #SUB 142 142 GLN B 119 119 ARG A Protein B 4 FT #SUB 143 143 ALA B 119 119 ARG A Protein S 3 FT #SUB 146 146 LEU B 85 85 GLU A Protein S 2 FT #SUB 146 146 LEU B 88 88 ILE A Protein S 1 FT #SUB 147 147 THR B 85 85 GLU A Protein A 3 FT #SUB 148 148 SER B 88 88 ILE A Protein S 3 FT #SUB 152 152 LEU B 116 116 MET A Protein B 1 FT #SUB 152 152 LEU B 117 117 MET A Protein B 2 FT #SUB 152 152 LEU B 118 118 PHE A Protein A 5 FT #SUB 153 153 VAL B 84 84 GLN A Protein S 3 FT #SUB 153 153 VAL B 116 116 MET A Protein B 2 FT #SUB 154 154 GLY B 115 115 GLY A Protein B 1 FT #SUB 154 154 GLY B 116 116 MET A Protein B 8 FT #SUB 154 154 GLY B 119 119 ARG A Protein B 5 FT #SUB 155 155 PHE B 119 119 ARG A Protein B 3 FT #SUB 155 155 PHE B 155 155 PHE A Protein S 1 FT #SUB 156 156 TYR B 119 119 ARG A Protein S 2 FT #SUB 321 321 ASN B 93 93 ASN A Protein S 3 FT #SUB 321 321 ASN B 94 94 ARG A Protein A 8 FT #HET 42 42 ASP B 9 604 NAD B S 4 FT #HET 44 44 GLY B 9 604 NAD B B 10 FT #HET 45 45 VAL B 9 604 NAD B A 2 FT #HET 46 46 PRO B 9 604 NAD B S 9 FT #HET 49 49 ILE B 9 604 NAD B S 2 FT #HET 72 72 GLU B 9 604 NAD B S 4 FT #HET 75 75 LYS B 9 604 NAD B S 2 FT #HET 103 103 GLY B 9 604 NAD B B 5 FT #HET 104 104 GLY B 9 604 NAD B B 13 FT #HET 105 105 LEU B 9 604 NAD B A 8 FT #HET 108 108 ASN B 9 604 NAD B S 9 FT #HET 119 119 ARG B 3 608 PO4 A S 8 FT #HET 128 128 THR B 9 604 NAD B A 8 FT #HET 129 129 THR B 9 604 NAD B S 6 FT #HET 131 131 LEU B 9 604 NAD B S 5 FT #HET 135 135 ASP B 7 602 CO B S 1 FT #HET 135 135 ASP B 10 609 CAK B S 10 FT #HET 136 136 SER B 9 604 NAD B S 4 FT #HET 139 139 SER B 10 609 CAK B S 1 FT #HET 141 141 LYS B 10 609 CAK B S 7 FT #HET 150 150 LYS B 9 604 NAD B S 6 FT #HET 151 151 ASN B 9 604 NAD B S 5 FT #HET 151 151 ASN B 10 609 CAK B S 1 FT #HET 173 173 PRO B 9 604 NAD B S 2 FT #HET 176 176 GLN B 9 604 NAD B S 10 FT #HET 183 183 GLU B 7 602 CO B S 3 FT #HET 183 183 GLU B 10 609 CAK B S 3 FT #HET 186 186 LYS B 10 609 CAK B S 4 FT #HET 225 225 LYS B 10 609 CAK B S 6 FT #HET 235 235 GLU B 10 609 CAK B S 5 FT #HET 242 242 PHE B 10 609 CAK B A 4 FT #HET 243 243 GLU B 8 606 SO3 B B 2 FT #HET 243 243 GLU B 10 609 CAK B S 3 FT #HET 244 244 TYR B 8 606 SO3 B A 5 FT #HET 245 245 GLY B 8 606 SO3 B B 7 FT #HET 246 246 HIS B 7 602 CO B S 3 FT #HET 246 246 HIS B 8 606 SO3 B B 4 FT #HET 246 246 HIS B 10 609 CAK B S 6 FT #HET 247 247 THR B 8 606 SO3 B A 10 FT #HET 248 248 ILE B 8 606 SO3 B B 1 FT #HET 250 250 HIS B 10 609 CAK B S 2 FT #HET 262 262 HIS B 7 602 CO B S 3 FT #HET 262 262 HIS B 10 609 CAK B S 2 FT #HET 273 273 ALA B 8 606 SO3 B S 1 FT #HET 278 278 ASN B 11 610 MPD B A 4 FT #HET 281 281 ASN B 11 610 MPD B A 7 FT #HET 282 282 LEU B 11 610 MPD B B 1 FT #HET 283 283 MET B 11 610 MPD B B 3 FT #HET 284 284 PRO B 11 610 MPD B B 1 FT #HET 335 335 MET B 8 606 SO3 B A 4 FT #HET 336 336 ILE B 8 606 SO3 B A 10 FT DISORDER 1 1 FT DISORDER 322 328 CC SEQUENCE 360 AA (ATOM); CC TTKQICFADR CFNFAFGEHV LESVESYIPR DEFDQYIMIS DSGVPDSIVH YAAEYFGKLA CC PVHILRFQGG EEYKTLSTVT NLQERAIALG ANRRTAIVAV GGGLTGNVAG VAAGMMFRGI CC ALIHVPTTFL AASDSVLSIK QAVNLTSGKN LVGFYYPPRF VFADTRILSE SPPRQVKAGM CC CELVKNMLIL ENDNKEFTED DLNSANVYSP KQLETFINFC ISAKMSVLSE DIYEKKKGLI CC FEYGHTIGHA IELAEQGGIT HGEAIAVGMI YAAKIANRMN LMPEHDVSAH YWLLNKIGAL CC QDIPLKSDPD SIFHYLIHDN DEDNLGMILL SGVGKPAMYN QTLLTPVRKT LIKEVIREGL CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MTTKQICFADRCFNFAFGEHVLESVESYIPRDEFDQYIMISDSGVPDSIV CC ATOM -TTKQICFADRCFNFAFGEHVLESVESYIPRDEFDQYIMISDSGVPDSIV CC ************************************************* CC SEQRES HYAAEYFGKLAPVHILRFQGGEEYKTLSTVTNLQERAIALGANRRTAIVA CC ATOM HYAAEYFGKLAPVHILRFQGGEEYKTLSTVTNLQERAIALGANRRTAIVA CC ************************************************** CC SEQRES VGGGLTGNVAGVAAGMMFRGIALIHVPTTFLAASDSVLSIKQAVNLTSGK CC ATOM VGGGLTGNVAGVAAGMMFRGIALIHVPTTFLAASDSVLSIKQAVNLTSGK CC ************************************************** CC SEQRES NLVGFYYPPRFVFADTRILSESPPRQVKAGMCELVKNMLILENDNKEFTE CC ATOM NLVGFYYPPRFVFADTRILSESPPRQVKAGMCELVKNMLILENDNKEFTE CC ************************************************** CC SEQRES DDLNSANVYSPKQLETFINFCISAKMSVLSEDIYEKKKGLIFEYGHTIGH CC ATOM DDLNSANVYSPKQLETFINFCISAKMSVLSEDIYEKKKGLIFEYGHTIGH CC ************************************************** CC SEQRES AIELAEQGGITHGEAIAVGMIYAAKIANRMNLMPEHDVSAHYWLLNKIGA CC ATOM AIELAEQGGITHGEAIAVGMIYAAKIANRMNLMPEHDVSAHYWLLNKIGA CC ************************************************** CC SEQRES LQDIPLKSDPDSIFHYLIHDNKRGYIKLDEDNLGMILLSGVGKPAMYNQT CC ATOM LQDIPLKSDPDSIFHYLIHDN-------DEDNLGMILLSGVGKPAMYNQT CC ********************* ********************** CC SEQRES LLTPVRKTLIKEVIREGL CC ATOM LLTPVRKTLIKEVIREGL CC ****************** SQ SEQUENCE 368 AA; MW; CN; MTTKQICFAD RCFNFAFGEH VLESVESYIP RDEFDQYIMI SDSGVPDSIV HYAAEYFGKL APVHILRFQG GEEYKTLSTV TNLQERAIAL GANRRTAIVA VGGGLTGNVA GVAAGMMFRG IALIHVPTTF LAASDSVLSI KQAVNLTSGK NLVGFYYPPR FVFADTRILS ESPPRQVKAG MCELVKNMLI LENDNKEFTE DDLNSANVYS PKQLETFINF CISAKMSVLS EDIYEKKKGL IFEYGHTIGH AIELAEQGGI THGEAIAVGM IYAAKIANRM NLMPEHDVSA HYWLLNKIGA LQDIPLKSDP DSIFHYLIHD NKRGYIKLDE DNLGMILLSG VGKPAMYNQT LLTPVRKTLI KEVIREGL //