ID 3IUEA STANDARD; PRT; 301 AA. DT CONVERTED FROM PDB (SEQRES) 3IUE DE Pantothenate synthetase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.730 CC R-Factor 0.174 FT #SUB 25 25 ARG A 178 178 ASP B Protein S 2 FT #SUB 115 115 ARG A 121 121 GLY B Protein B 4 FT #SUB 115 115 ARG A 170 170 GLN B Protein S 16 FT #SUB 115 115 ARG A 173 173 ALA B Protein S 1 FT #SUB 115 115 ARG A 174 174 ASP B Protein A 12 FT #SUB 116 116 THR A 118 118 VAL B Protein S 1 FT #SUB 116 116 THR A 119 119 GLN B Protein A 3 FT #SUB 116 116 THR A 170 170 GLN B Protein S 3 FT #SUB 116 116 THR A 171 171 LEU B Protein S 2 FT #SUB 116 116 THR A 174 174 ASP B Protein A 9 FT #SUB 116 116 THR A 175 175 PHE B Protein A 3 FT #SUB 117 117 THR A 118 118 VAL B Protein B 3 FT #SUB 117 117 THR A 119 119 GLN B Protein A 11 FT #SUB 117 117 THR A 175 175 PHE B Protein B 4 FT #SUB 118 118 VAL A 116 116 THR B Protein S 1 FT #SUB 118 118 VAL A 117 117 THR B Protein A 3 FT #SUB 118 118 VAL A 175 175 PHE B Protein S 1 FT #SUB 119 119 GLN A 115 115 ARG B Protein B 1 FT #SUB 119 119 GLN A 116 116 THR B Protein B 3 FT #SUB 119 119 GLN A 117 117 THR B Protein A 13 FT #SUB 120 120 PRO A 115 115 ARG B Protein B 1 FT #SUB 121 121 GLY A 115 115 ARG B Protein B 4 FT #SUB 144 144 LEU A 175 175 PHE B Protein S 5 FT #SUB 145 145 LYS A 174 174 ASP B Protein S 4 FT #SUB 145 145 LYS A 175 175 PHE B Protein S 1 FT #SUB 145 145 LYS A 176 176 ASN B Protein A 6 FT #SUB 148 148 GLN A 148 148 GLN B Protein S 5 FT #SUB 148 148 GLN A 175 175 PHE B Protein S 2 FT #SUB 148 148 GLN A 176 176 ASN B Protein A 4 FT #SUB 148 148 GLN A 177 177 LEU B Protein S 3 FT #SUB 149 149 ILE A 176 176 ASN B Protein S 6 FT #SUB 151 151 ARG A 151 151 ARG B Protein S 4 FT #SUB 170 170 GLN A 115 115 ARG B Protein S 10 FT #SUB 170 170 GLN A 116 116 THR B Protein B 2 FT #SUB 171 171 LEU A 116 116 THR B Protein B 2 FT #SUB 174 174 ASP A 115 115 ARG B Protein S 11 FT #SUB 174 174 ASP A 116 116 THR B Protein S 8 FT #SUB 174 174 ASP A 145 145 LYS B Protein B 5 FT #SUB 175 175 PHE A 116 116 THR B Protein S 3 FT #SUB 175 175 PHE A 117 117 THR B Protein S 4 FT #SUB 175 175 PHE A 118 118 VAL B Protein S 1 FT #SUB 175 175 PHE A 144 144 LEU B Protein S 4 FT #SUB 175 175 PHE A 148 148 GLN B Protein B 2 FT #SUB 176 176 ASN A 145 145 LYS B Protein S 6 FT #SUB 176 176 ASN A 148 148 GLN B Protein B 4 FT #SUB 176 176 ASN A 149 149 ILE B Protein S 6 FT #SUB 177 177 LEU A 148 148 GLN B Protein S 3 FT #SUB 178 178 ASP A 25 25 ARG B Protein S 1 FT #SUB 178 178 ASP A 151 151 ARG B Protein S 4 FT #HET 17 17 PRO A 5 710 GOL A B 2 FT #HET 18 18 GLY A 5 710 GOL A B 2 FT #HET 21 21 ALA A 5 710 GOL A S 1 FT #HET 25 25 ARG A 5 710 GOL A S 1 FT #HET 38 38 PRO A 1 302 FG3 A B 1 FT #HET 38 38 PRO A 9 720 EDO A B 3 FT #HET 39 39 THR A 1 302 FG3 A A 4 FT #HET 39 39 THR A 9 720 EDO A B 3 FT #HET 40 40 MET A 1 302 FG3 A A 2 FT #HET 40 40 MET A 9 720 EDO A S 3 FT #HET 44 44 HIS A 1 302 FG3 A S 10 FT #HET 44 44 HIS A 4 708 GOL A S 4 FT #HET 46 46 GLY A 1 302 FG3 A B 10 FT #HET 47 47 HIS A 1 302 FG3 A A 11 FT #HET 50 50 LEU A 1 302 FG3 A S 1 FT #HET 71 71 MET A 2 303 FG3 A B 1 FT #HET 72 72 GLN A 9 720 EDO A S 1 FT #HET 82 82 TYR A 1 302 FG3 A S 2 FT #HET 105 105 THR A 15 726 EOH A A 6 FT #HET 106 106 THR A 15 726 EOH A A 6 FT #HET 109 109 MET A 6 716 EDO A B 1 FT #HET 110 110 TYR A 6 716 EDO A S 4 FT #HET 111 111 PRO A 8 719 EDO A B 2 FT #HET 112 112 ASP A 8 719 EDO A A 5 FT #HET 113 113 GLY A 6 716 EDO A B 2 FT #HET 114 114 LEU A 2 303 FG3 A S 3 FT #HET 114 114 LEU A 6 716 EDO A A 3 FT #HET 115 115 ARG A 6 716 EDO A B 4 FT #HET 115 115 ARG A 11 722 EOH A B 3 FT #HET 116 116 THR A 6 716 EDO A B 5 FT #HET 117 117 THR A 2 303 FG3 A S 3 FT #HET 117 117 THR A 6 716 EDO A S 1 FT #HET 117 117 THR A 11 722 EOH A A 6 FT #HET 128 128 GLU A 7 717 EDO A S 6 FT #HET 132 132 ARG A 7 717 EDO A S 2 FT #HET 133 133 PRO A 2 303 FG3 A S 8 FT #HET 134 134 THR A 2 303 FG3 A A 6 FT #HET 135 135 HIS A 7 717 EDO A S 6 FT #HET 137 137 ALA A 2 303 FG3 A A 3 FT #HET 138 138 GLY A 2 303 FG3 A B 2 FT #HET 142 142 VAL A 9 720 EDO A S 1 FT #HET 145 145 LYS A 6 716 EDO A S 5 FT #HET 148 148 GLN A 5 710 GOL A B 1 FT #HET 148 148 GLN A 17 709 GOL B S 4 FT #HET 151 151 ARG A 17 709 GOL B S 7 FT #HET 158 158 GLY A 1 302 FG3 A B 1 FT #HET 160 160 LYS A 1 302 FG3 A S 7 FT #HET 161 161 ASP A 1 302 FG3 A S 6 FT #HET 164 164 GLN A 1 302 FG3 A S 6 FT #HET 164 164 GLN A 9 720 EDO A S 1 FT #HET 169 169 ARG A 20 713 GOL B A 3 FT #HET 173 173 ALA A 20 713 GOL B S 3 FT #HET 174 174 ASP A 22 715 EDO B A 8 FT #HET 176 176 ASN A 14 725 EOH A A 5 FT #HET 184 184 VAL A 1 302 FG3 A A 2 FT #HET 185 185 PRO A 1 302 FG3 A B 2 FT #HET 186 186 THR A 1 302 FG3 A A 3 FT #HET 187 187 VAL A 1 302 FG3 A A 8 FT #HET 189 189 GLU A 4 708 GOL A S 8 FT #HET 195 195 MET A 1 302 FG3 A B 3 FT #HET 195 195 MET A 4 708 GOL A A 8 FT #HET 196 196 SER A 1 302 FG3 A A 9 FT #HET 196 196 SER A 4 708 GOL A B 7 FT #HET 197 197 SER A 1 302 FG3 A A 4 FT #HET 199 199 ASN A 4 708 GOL A S 7 FT #HET 205 205 ALA A 10 721 EOH A A 4 FT #HET 206 206 GLN A 10 721 EOH A A 4 FT #HET 209 209 ALA A 10 721 EOH A S 2 FT #HET 218 218 THR A 13 724 EOH A S 3 FT #HET 243 243 PRO A 10 721 EOH A B 4 FT #HET 244 244 GLY A 10 721 EOH A B 2 FT #HET 262 262 LEU A 3 707 GOL A B 5 FT #HET 263 263 ASN A 3 707 GOL A B 8 FT #HET 274 274 LEU A 10 721 EOH A S 1 FT #HET 287 287 ILE A 3 707 GOL A S 4 FT DISORDER 1 2 FT DISORDER 291 301 CC SEQUENCE 288 AA (ATOM); CC IPAFHPGELN VYSAPGDVAD VSRALRLTGR RVMLVPTMGA LHEGHLALVR AAKRVPGSVV CC VVSIFVNPMQ FGAGGDLDAY PRTPDDDLAQ LRAEGVEIAF TPTTAAMYPD GLRTTVQPGP CC LAAELEGGPR PTHFAGVLTV VLKLLQIVRP DRVFFGEKDY QQLVLIRQLV ADFNLDVAVV CC GVPTVREADG LAMSSRNRYL DPAQRAAAVA LSAALTAAAH AATAGAQAAL DAARAVLDAA CC PGVAVDYLEL RDIGLGPMPL NGSGRLLVAA RLGTTRLLDN IAIEIGTF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAIPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLAL CC ATOM --IPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLAL CC ************************************************ CC SEQRES VRAAKRVPGSVVVVSIFVNPMQFGAGGDLDAYPRTPDDDLAQLRAEGVEI CC ATOM VRAAKRVPGSVVVVSIFVNPMQFGAGGDLDAYPRTPDDDLAQLRAEGVEI CC ************************************************** CC SEQRES AFTPTTAAMYPDGLRTTVQPGPLAAELEGGPRPTHFAGVLTVVLKLLQIV CC ATOM AFTPTTAAMYPDGLRTTVQPGPLAAELEGGPRPTHFAGVLTVVLKLLQIV CC ************************************************** CC SEQRES RPDRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNR CC ATOM RPDRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNR CC ************************************************** CC SEQRES YLDPAQRAAAVALSAALTAAAHAATAGAQAALDAARAVLDAAPGVAVDYL CC ATOM YLDPAQRAAAVALSAALTAAAHAATAGAQAALDAARAVLDAAPGVAVDYL CC ************************************************** CC SEQRES ELRDIGLGPMPLNGSGRLLVAARLGTTRLLDNIAIEIGTFAGTDRPDGYR CC ATOM ELRDIGLGPMPLNGSGRLLVAARLGTTRLLDNIAIEIGTF---------- CC **************************************** CC SEQRES A CC ATOM - CC SQ SEQUENCE 301 AA; MW; CN; MAIPAFHPGE LNVYSAPGDV ADVSRALRLT GRRVMLVPTM GALHEGHLAL VRAAKRVPGS VVVVSIFVNP MQFGAGGDLD AYPRTPDDDL AQLRAEGVEI AFTPTTAAMY PDGLRTTVQP GPLAAELEGG PRPTHFAGVL TVVLKLLQIV RPDRVFFGEK DYQQLVLIRQ LVADFNLDVA VVGVPTVREA DGLAMSSRNR YLDPAQRAAA VALSAALTAA AHAATAGAQA ALDAARAVLD AAPGVAVDYL ELRDIGLGPM PLNGSGRLLV AARLGTTRLL DNIAIEIGTF AGTDRPDGYR A // ID 3IUEB STANDARD; PRT; 301 AA. DT CONVERTED FROM PDB (SEQRES) 3IUE DE Pantothenate synthetase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.730 CC R-Factor 0.174 FT #SUB 25 25 ARG B 178 178 ASP A Protein S 1 FT #SUB 115 115 ARG B 119 119 GLN A Protein B 1 FT #SUB 115 115 ARG B 120 120 PRO A Protein B 1 FT #SUB 115 115 ARG B 121 121 GLY A Protein B 4 FT #SUB 115 115 ARG B 170 170 GLN A Protein S 10 FT #SUB 115 115 ARG B 174 174 ASP A Protein S 11 FT #SUB 116 116 THR B 118 118 VAL A Protein S 1 FT #SUB 116 116 THR B 119 119 GLN A Protein A 3 FT #SUB 116 116 THR B 170 170 GLN A Protein S 2 FT #SUB 116 116 THR B 171 171 LEU A Protein S 2 FT #SUB 116 116 THR B 174 174 ASP A Protein A 8 FT #SUB 116 116 THR B 175 175 PHE A Protein A 3 FT #SUB 117 117 THR B 118 118 VAL A Protein B 3 FT #SUB 117 117 THR B 119 119 GLN A Protein A 13 FT #SUB 117 117 THR B 175 175 PHE A Protein B 4 FT #SUB 118 118 VAL B 116 116 THR A Protein S 1 FT #SUB 118 118 VAL B 117 117 THR A Protein A 3 FT #SUB 118 118 VAL B 175 175 PHE A Protein S 1 FT #SUB 119 119 GLN B 116 116 THR A Protein B 3 FT #SUB 119 119 GLN B 117 117 THR A Protein A 11 FT #SUB 121 121 GLY B 115 115 ARG A Protein B 4 FT #SUB 144 144 LEU B 175 175 PHE A Protein S 4 FT #SUB 145 145 LYS B 174 174 ASP A Protein S 5 FT #SUB 145 145 LYS B 176 176 ASN A Protein A 6 FT #SUB 148 148 GLN B 148 148 GLN A Protein S 5 FT #SUB 148 148 GLN B 175 175 PHE A Protein S 2 FT #SUB 148 148 GLN B 176 176 ASN A Protein A 4 FT #SUB 148 148 GLN B 177 177 LEU A Protein S 3 FT #SUB 149 149 ILE B 176 176 ASN A Protein S 6 FT #SUB 151 151 ARG B 151 151 ARG A Protein S 4 FT #SUB 151 151 ARG B 178 178 ASP A Protein S 4 FT #SUB 170 170 GLN B 115 115 ARG A Protein A 16 FT #SUB 170 170 GLN B 116 116 THR A Protein A 3 FT #SUB 171 171 LEU B 116 116 THR A Protein B 2 FT #SUB 173 173 ALA B 115 115 ARG A Protein S 1 FT #SUB 174 174 ASP B 115 115 ARG A Protein S 12 FT #SUB 174 174 ASP B 116 116 THR A Protein S 9 FT #SUB 174 174 ASP B 145 145 LYS A Protein B 4 FT #SUB 175 175 PHE B 116 116 THR A Protein S 3 FT #SUB 175 175 PHE B 117 117 THR A Protein S 4 FT #SUB 175 175 PHE B 118 118 VAL A Protein S 1 FT #SUB 175 175 PHE B 144 144 LEU A Protein S 5 FT #SUB 175 175 PHE B 145 145 LYS A Protein B 1 FT #SUB 175 175 PHE B 148 148 GLN A Protein B 2 FT #SUB 176 176 ASN B 145 145 LYS A Protein S 6 FT #SUB 176 176 ASN B 148 148 GLN A Protein B 4 FT #SUB 176 176 ASN B 149 149 ILE A Protein S 6 FT #SUB 177 177 LEU B 148 148 GLN A Protein S 3 FT #SUB 178 178 ASP B 25 25 ARG A Protein S 2 FT #HET 10 10 GLU B 21 714 EDO B A 5 FT #HET 11 11 LEU B 21 714 EDO B A 9 FT #HET 17 17 PRO B 14 725 EOH A S 1 FT #HET 18 18 GLY B 14 725 EOH A B 2 FT #HET 21 21 ALA B 14 725 EOH A S 1 FT #HET 38 38 PRO B 16 302 FG3 B B 2 FT #HET 38 38 PRO B 19 712 GOL B A 4 FT #HET 39 39 THR B 16 302 FG3 B A 7 FT #HET 39 39 THR B 19 712 GOL B B 2 FT #HET 40 40 MET B 16 302 FG3 B A 12 FT #HET 40 40 MET B 19 712 GOL B S 1 FT #HET 44 44 HIS B 16 302 FG3 B S 20 FT #HET 46 46 GLY B 16 302 FG3 B B 21 FT #HET 47 47 HIS B 16 302 FG3 B S 17 FT #HET 50 50 LEU B 16 302 FG3 B S 2 FT #HET 67 67 PHE B 19 712 GOL B A 3 FT #HET 94 94 ARG B 21 714 EDO B S 8 FT #HET 109 109 MET B 22 715 EDO B B 1 FT #HET 110 110 TYR B 22 715 EDO B S 3 FT #HET 112 112 ASP B 20 713 GOL B S 3 FT #HET 113 113 GLY B 22 715 EDO B B 2 FT #HET 114 114 LEU B 22 715 EDO B A 3 FT #HET 115 115 ARG B 20 713 GOL B S 6 FT #HET 115 115 ARG B 22 715 EDO B B 4 FT #HET 116 116 THR B 22 715 EDO B B 6 FT #HET 117 117 THR B 22 715 EDO B S 1 FT #HET 119 119 GLN B 2 303 FG3 A S 3 FT #HET 119 119 GLN B 11 722 EOH A A 5 FT #HET 120 120 PRO B 11 722 EOH A B 1 FT #HET 135 135 HIS B 16 302 FG3 B S 2 FT #HET 139 139 VAL B 16 302 FG3 B S 1 FT #HET 142 142 VAL B 19 712 GOL B S 3 FT #HET 143 143 VAL B 19 712 GOL B S 1 FT #HET 145 145 LYS B 22 715 EDO B S 5 FT #HET 146 146 LEU B 19 712 GOL B S 1 FT #HET 147 147 LEU B 17 709 GOL B A 5 FT #HET 148 148 GLN B 17 709 GOL B S 7 FT #HET 149 149 ILE B 14 725 EOH A S 1 FT #HET 151 151 ARG B 17 709 GOL B A 5 FT #HET 158 158 GLY B 16 302 FG3 B B 1 FT #HET 160 160 LYS B 16 302 FG3 B S 5 FT #HET 161 161 ASP B 16 302 FG3 B S 3 FT #HET 164 164 GLN B 16 302 FG3 B S 1 FT #HET 174 174 ASP B 6 716 EDO A A 7 FT #HET 176 176 ASN B 5 710 GOL A A 7 FT #HET 177 177 LEU B 17 709 GOL B A 6 FT #HET 178 178 ASP B 5 710 GOL A S 1 FT #HET 178 178 ASP B 17 709 GOL B B 4 FT #HET 179 179 VAL B 17 709 GOL B A 3 FT #HET 185 185 PRO B 16 302 FG3 B B 3 FT #HET 186 186 THR B 16 302 FG3 B A 6 FT #HET 187 187 VAL B 16 302 FG3 B A 10 FT #HET 195 195 MET B 16 302 FG3 B B 7 FT #HET 196 196 SER B 16 302 FG3 B A 10 FT #HET 197 197 SER B 16 302 FG3 B A 8 FT #HET 201 201 TYR B 18 711 GOL B B 7 FT #HET 202 202 LEU B 18 711 GOL B A 3 FT #HET 206 206 GLN B 18 711 GOL B S 11 FT #HET 224 224 ALA B 23 718 EDO B B 5 FT #HET 225 225 THR B 23 718 EDO B B 8 FT #HET 274 274 LEU B 18 711 GOL B B 1 FT #HET 275 275 GLY B 18 711 GOL B B 4 FT #HET 276 276 THR B 18 711 GOL B A 8 FT #HET 277 277 THR B 18 711 GOL B A 4 FT #HET 286 286 GLU B 23 718 EDO B B 1 FT #HET 287 287 ILE B 23 718 EDO B A 5 FT #HET 288 288 GLY B 23 718 EDO B B 8 FT DISORDER 73 82 FT DISORDER 289 301 CC SEQUENCE 278 AA (ATOM); CC MAIPAFHPGE LNVYSAPGDV ADVSRALRLT GRRVMLVPTM GALHEGHLAL VRAAKRVPGS CC VVVVSIFVNP MQPRTPDDDL AQLRAEGVEI AFTPTTAAMY PDGLRTTVQP GPLAAELEGG CC PRPTHFAGVL TVVLKLLQIV RPDRVFFGEK DYQQLVLIRQ LVADFNLDVA VVGVPTVREA CC DGLAMSSRNR YLDPAQRAAA VALSAALTAA AHAATAGAQA ALDAARAVLD AAPGVAVDYL CC ELRDIGLGPM PLNGSGRLLV AARLGTTRLL DNIAIEIG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAIPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLAL CC ATOM MAIPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLAL CC ************************************************** CC SEQRES VRAAKRVPGSVVVVSIFVNPMQFGAGGDLDAYPRTPDDDLAQLRAEGVEI CC ATOM VRAAKRVPGSVVVVSIFVNPMQ----------PRTPDDDLAQLRAEGVEI CC ********************** ****************** CC SEQRES AFTPTTAAMYPDGLRTTVQPGPLAAELEGGPRPTHFAGVLTVVLKLLQIV CC ATOM AFTPTTAAMYPDGLRTTVQPGPLAAELEGGPRPTHFAGVLTVVLKLLQIV CC ************************************************** CC SEQRES RPDRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNR CC ATOM RPDRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNR CC ************************************************** CC SEQRES YLDPAQRAAAVALSAALTAAAHAATAGAQAALDAARAVLDAAPGVAVDYL CC ATOM YLDPAQRAAAVALSAALTAAAHAATAGAQAALDAARAVLDAAPGVAVDYL CC ************************************************** CC SEQRES ELRDIGLGPMPLNGSGRLLVAARLGTTRLLDNIAIEIGTFAGTDRPDGYR CC ATOM ELRDIGLGPMPLNGSGRLLVAARLGTTRLLDNIAIEIG------------ CC ************************************** CC SEQRES A CC ATOM - CC SQ SEQUENCE 301 AA; MW; CN; MAIPAFHPGE LNVYSAPGDV ADVSRALRLT GRRVMLVPTM GALHEGHLAL VRAAKRVPGS VVVVSIFVNP MQFGAGGDLD AYPRTPDDDL AQLRAEGVEI AFTPTTAAMY PDGLRTTVQP GPLAAELEGG PRPTHFAGVL TVVLKLLQIV RPDRVFFGEK DYQQLVLIRQ LVADFNLDVA VVGVPTVREA DGLAMSSRNR YLDPAQRAAA VALSAALTAA AHAATAGAQA ALDAARAVLD AAPGVAVDYL ELRDIGLGPM PLNGSGRLLV AARLGTTRLL DNIAIEIGTF AGTDRPDGYR A //