ID 1XJGA STANDARD; PRT; 644 AA. DT CONVERTED FROM PDB (SEQRES) 1XJG DE ribonucleotide reductase, B12-dependent OS Thermotoga maritima CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.198 FT #SUB 128 128 LEU A 178 178 ALA B Protein S 1 FT #SUB 128 128 LEU A 179 179 GLY B Protein S 6 FT #SUB 128 128 LEU A 180 180 THR B Protein S 1 FT #SUB 144 144 GLU A 151 151 LYS B Protein A 8 FT #SUB 147 147 PHE A 151 151 LYS B Protein S 2 FT #SUB 147 147 PHE A 154 154 ALA B Protein S 3 FT #SUB 147 147 PHE A 197 197 ALA B Protein S 2 FT #SUB 147 147 PHE A 201 201 VAL B Protein S 1 FT #SUB 148 148 GLU A 151 151 LYS B Protein S 5 FT #SUB 151 151 LYS A 144 144 GLU B Protein S 8 FT #SUB 151 151 LYS A 147 147 PHE B Protein A 4 FT #SUB 151 151 LYS A 148 148 GLU B Protein S 4 FT #SUB 154 154 ALA A 143 143 ILE B Protein S 1 FT #SUB 154 154 ALA A 147 147 PHE B Protein S 4 FT #SUB 158 158 LYS A 143 143 ILE B Protein S 1 FT #SUB 158 158 LYS A 180 180 THR B Protein B 2 FT #SUB 179 179 GLY A 128 128 LEU B Protein B 8 FT #SUB 179 179 GLY A 158 158 LYS B Protein B 4 FT #SUB 180 180 THR A 128 128 LEU B Protein B 1 FT #SUB 180 180 THR A 158 158 LYS B Protein S 9 FT #SUB 180 180 THR A 202 202 LYS B Protein S 1 FT #SUB 185 185 SER A 200 200 VAL B Protein S 3 FT #SUB 189 189 SER A 200 200 VAL B Protein A 3 FT #SUB 190 190 PHE A 200 200 VAL B Protein S 4 FT #SUB 192 192 HIS A 196 196 SER B Protein B 1 FT #SUB 193 193 VAL A 196 196 SER B Protein B 1 FT #SUB 196 196 SER A 192 192 HIS B Protein S 1 FT #SUB 196 196 SER A 193 193 VAL B Protein S 2 FT #SUB 196 196 SER A 196 196 SER B Protein S 3 FT #SUB 197 197 ALA A 147 147 PHE B Protein S 1 FT #SUB 200 200 VAL A 185 185 SER B Protein B 3 FT #SUB 200 200 VAL A 189 189 SER B Protein S 3 FT #SUB 200 200 VAL A 190 190 PHE B Protein S 4 FT #SUB 201 201 VAL A 143 143 ILE B Protein S 1 FT #SUB 202 202 LYS A 185 185 SER B Protein S 1 FT #HET 27 27 TYR A 2 1001 UDP A S 1 FT #HET 90 90 ASN A 2 1001 UDP A A 3 FT #HET 91 91 SER A 2 1001 UDP A A 7 FT #HET 127 127 HIS A 6 1003 DTP B S 2 FT #HET 133 133 ALA A 2 1001 UDP A A 4 FT #HET 141 141 ASP A 3 1004 DTP A A 11 FT #HET 142 142 SER A 1 1006 MG A S 1 FT #HET 142 142 SER A 3 1004 DTP A A 13 FT #HET 143 143 ILE A 3 1004 DTP A S 10 FT #HET 146 146 ILE A 3 1004 DTP A S 1 FT #HET 158 158 LYS A 6 1003 DTP B S 4 FT #HET 161 161 GLY A 2 1001 UDP A B 1 FT #HET 162 162 GLY A 2 1001 UDP A B 2 FT #HET 171 171 ARG A 3 1004 DTP A S 15 FT #HET 177 177 VAL A 3 1004 DTP A A 8 FT #HET 178 178 ALA A 3 1004 DTP A B 4 FT #HET 179 179 GLY A 3 1004 DTP A B 5 FT #HET 180 180 THR A 3 1004 DTP A S 3 FT #HET 183 183 LYS A 3 1004 DTP A B 3 FT #HET 184 184 ALA A 3 1004 DTP A A 3 FT #HET 185 185 SER A 3 1004 DTP A A 3 FT #HET 190 190 PHE A 3 1004 DTP A S 3 FT #HET 200 200 VAL A 6 1003 DTP B B 2 FT #HET 201 201 VAL A 6 1003 DTP B A 4 FT #HET 202 202 LYS A 6 1003 DTP B B 5 FT #HET 320 320 ASN A 2 1001 UDP A S 5 FT #HET 321 321 PRO A 2 1001 UDP A S 3 FT #HET 322 322 CYS A 2 1001 UDP A A 5 FT #HET 324 324 GLU A 2 1001 UDP A S 6 FT #HET 489 489 ALA A 2 1001 UDP A S 1 FT #HET 490 490 PRO A 2 1001 UDP A A 9 FT #HET 491 491 THR A 2 1001 UDP A B 10 FT #HET 492 492 GLY A 2 1001 UDP A B 5 FT #HET 493 493 SER A 2 1001 UDP A A 7 FT #HET 494 494 ILE A 2 1001 UDP A A 4 FT DISORDER 203 209 FT DISORDER 231 236 FT DISORDER 518 522 FT DISORDER 634 644 CC SEQUENCE 615 AA (ATOM); CC MKLSDLISRW IDVEPSKNAQ IILRDRYFMK DLDGNYLETK WEDVARRVAR VVATAELLNP CC SYKKNEKLDR IKEWEDIFFR VLKARLFIPN SPTLFNAGLG VKHDLLWKPI DQMTLEDYEE CC IYRSRNHLHM LSACFVVPVG DSIEEIFEAV KEYALITKVG GGVGSNFSEL RPKGSFVAGT CC HGKASGPVSF MHVFNSAISV VKALMGILNI NHPDIEEFID AKKVLNFFNL SVGFPMDKKE CC ILKLYEEDGE LELSHPRSTI RKKVKIRELF RKIATNAWKS GDPGLAFLGE MNKYYPLYPH CC RKINSTNPCG EIGLSDYEAC NLGSIDVAKF YNNGFVDLEA LQELVQIAVR FLDNVIDVNV CC FPIDKITKAV KESRRLGLGI MGFADLLYKL EIPYNSQEAR DFAANLMAFI ALHAHRTSYE CC LGKEKGNFPL LEISRYRTED NFVPFAMGMS NYDDEIREVM KMTKEFRRNV ALLTIAPTGS CC ISNIADTSSG LEPNFLLAYT RFVTKEPLLY VNQVLREKLN PEILKRIEKE LIEKGSLKDI CC PDVPEKIKKV FVVALDIDPM DHLLMQDAFQ RYVDNNISKT INMPQSATVD DVLNVYLEAL CC RTNVRGITVY RDGSL CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MKLSDLISRWIDVEPSKNAQIILRDRYFMKDLDGNYLETKWEDVARRVAR CC ATOM MKLSDLISRWIDVEPSKNAQIILRDRYFMKDLDGNYLETKWEDVARRVAR CC ************************************************** CC SEQRES VVATAELLNPSYKKNEKLDRIKEWEDIFFRVLKARLFIPNSPTLFNAGLG CC ATOM VVATAELLNPSYKKNEKLDRIKEWEDIFFRVLKARLFIPNSPTLFNAGLG CC ************************************************** CC SEQRES VKHDLLWKPIDQMTLEDYEEIYRSRNHLHMLSACFVVPVGDSIEEIFEAV CC ATOM VKHDLLWKPIDQMTLEDYEEIYRSRNHLHMLSACFVVPVGDSIEEIFEAV CC ************************************************** CC SEQRES KEYALITKVGGGVGSNFSELRPKGSFVAGTHGKASGPVSFMHVFNSAISV CC ATOM KEYALITKVGGGVGSNFSELRPKGSFVAGTHGKASGPVSFMHVFNSAISV CC ************************************************** CC SEQRES VKQGSRRRGALMGILNINHPDIEEFIDAKKENTGEAVLNFFNLSVGFPMD CC ATOM VK-------ALMGILNINHPDIEEFIDAKK------VLNFFNLSVGFPMD CC ** ********************* ************** CC SEQRES KKEILKLYEEDGELELSHPRSTIRKKVKIRELFRKIATNAWKSGDPGLAF CC ATOM KKEILKLYEEDGELELSHPRSTIRKKVKIRELFRKIATNAWKSGDPGLAF CC ************************************************** CC SEQRES LGEMNKYYPLYPHRKINSTNPCGEIGLSDYEACNLGSIDVAKFYNNGFVD CC ATOM LGEMNKYYPLYPHRKINSTNPCGEIGLSDYEACNLGSIDVAKFYNNGFVD CC ************************************************** CC SEQRES LEALQELVQIAVRFLDNVIDVNVFPIDKITKAVKESRRLGLGIMGFADLL CC ATOM LEALQELVQIAVRFLDNVIDVNVFPIDKITKAVKESRRLGLGIMGFADLL CC ************************************************** CC SEQRES YKLEIPYNSQEARDFAANLMAFIALHAHRTSYELGKEKGNFPLLEISRYR CC ATOM YKLEIPYNSQEARDFAANLMAFIALHAHRTSYELGKEKGNFPLLEISRYR CC ************************************************** CC SEQRES TEDNFVPFAMGMSNYDDEIREVMKMTKEFRRNVALLTIAPTGSISNIADT CC ATOM TEDNFVPFAMGMSNYDDEIREVMKMTKEFRRNVALLTIAPTGSISNIADT CC ************************************************** CC SEQRES SSGLEPNFLLAYTRFVTKEDGTKEPLLYVNQVLREKLNPEILKRIEKELI CC ATOM SSGLEPNFLLAYTRFVT-----KEPLLYVNQVLREKLNPEILKRIEKELI CC ***************** **************************** CC SEQRES EKGSLKDIPDVPEKIKKVFVVALDIDPMDHLLMQDAFQRYVDNNISKTIN CC ATOM EKGSLKDIPDVPEKIKKVFVVALDIDPMDHLLMQDAFQRYVDNNISKTIN CC ************************************************** CC SEQRES MPQSATVDDVLNVYLEALRTNVRGITVYRDGSLQTQVLTKALKT CC ATOM MPQSATVDDVLNVYLEALRTNVRGITVYRDGSL----------- CC ********************************* SQ SEQUENCE 644 AA; MW; CN; MKLSDLISRW IDVEPSKNAQ IILRDRYFMK DLDGNYLETK WEDVARRVAR VVATAELLNP SYKKNEKLDR IKEWEDIFFR VLKARLFIPN SPTLFNAGLG VKHDLLWKPI DQMTLEDYEE IYRSRNHLHM LSACFVVPVG DSIEEIFEAV KEYALITKVG GGVGSNFSEL RPKGSFVAGT HGKASGPVSF MHVFNSAISV VKQGSRRRGA LMGILNINHP DIEEFIDAKK ENTGEAVLNF FNLSVGFPMD KKEILKLYEE DGELELSHPR STIRKKVKIR ELFRKIATNA WKSGDPGLAF LGEMNKYYPL YPHRKINSTN PCGEIGLSDY EACNLGSIDV AKFYNNGFVD LEALQELVQI AVRFLDNVID VNVFPIDKIT KAVKESRRLG LGIMGFADLL YKLEIPYNSQ EARDFAANLM AFIALHAHRT SYELGKEKGN FPLLEISRYR TEDNFVPFAM GMSNYDDEIR EVMKMTKEFR RNVALLTIAP TGSISNIADT SSGLEPNFLL AYTRFVTKED GTKEPLLYVN QVLREKLNPE ILKRIEKELI EKGSLKDIPD VPEKIKKVFV VALDIDPMDH LLMQDAFQRY VDNNISKTIN MPQSATVDDV LNVYLEALRT NVRGITVYRD GSLQTQVLTK ALKT // ID 1XJGB STANDARD; PRT; 644 AA. DT CONVERTED FROM PDB (SEQRES) 1XJG DE ribonucleotide reductase, B12-dependent OS Thermotoga maritima CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.198 FT #SUB 128 128 LEU B 179 179 GLY A Protein S 8 FT #SUB 128 128 LEU B 180 180 THR A Protein S 1 FT #SUB 143 143 ILE B 154 154 ALA A Protein S 1 FT #SUB 143 143 ILE B 158 158 LYS A Protein S 1 FT #SUB 143 143 ILE B 201 201 VAL A Protein S 1 FT #SUB 144 144 GLU B 151 151 LYS A Protein A 8 FT #SUB 147 147 PHE B 151 151 LYS A Protein A 4 FT #SUB 147 147 PHE B 154 154 ALA A Protein S 4 FT #SUB 147 147 PHE B 197 197 ALA A Protein S 1 FT #SUB 148 148 GLU B 151 151 LYS A Protein A 4 FT #SUB 151 151 LYS B 144 144 GLU A Protein S 8 FT #SUB 151 151 LYS B 147 147 PHE A Protein A 2 FT #SUB 151 151 LYS B 148 148 GLU A Protein S 5 FT #SUB 154 154 ALA B 147 147 PHE A Protein S 3 FT #SUB 158 158 LYS B 179 179 GLY A Protein S 4 FT #SUB 158 158 LYS B 180 180 THR A Protein A 9 FT #SUB 178 178 ALA B 128 128 LEU A Protein B 1 FT #SUB 179 179 GLY B 128 128 LEU A Protein B 6 FT #SUB 180 180 THR B 128 128 LEU A Protein S 1 FT #SUB 180 180 THR B 158 158 LYS A Protein S 2 FT #SUB 185 185 SER B 200 200 VAL A Protein S 3 FT #SUB 185 185 SER B 202 202 LYS A Protein S 1 FT #SUB 189 189 SER B 200 200 VAL A Protein A 3 FT #SUB 190 190 PHE B 200 200 VAL A Protein S 4 FT #SUB 192 192 HIS B 196 196 SER A Protein B 1 FT #SUB 193 193 VAL B 196 196 SER A Protein A 2 FT #SUB 196 196 SER B 192 192 HIS A Protein S 1 FT #SUB 196 196 SER B 193 193 VAL A Protein S 1 FT #SUB 196 196 SER B 196 196 SER A Protein S 3 FT #SUB 197 197 ALA B 147 147 PHE A Protein S 2 FT #SUB 200 200 VAL B 185 185 SER A Protein B 3 FT #SUB 200 200 VAL B 189 189 SER A Protein S 3 FT #SUB 200 200 VAL B 190 190 PHE A Protein S 4 FT #SUB 201 201 VAL B 147 147 PHE A Protein S 1 FT #SUB 202 202 LYS B 180 180 THR A Protein B 1 FT #HET 90 90 ASN B 5 1002 UDP B A 3 FT #HET 91 91 SER B 5 1002 UDP B A 7 FT #HET 133 133 ALA B 5 1002 UDP B A 4 FT #HET 134 134 CYS B 5 1002 UDP B S 1 FT #HET 141 141 ASP B 4 1005 MG B B 1 FT #HET 141 141 ASP B 6 1003 DTP B A 12 FT #HET 142 142 SER B 6 1003 DTP B A 7 FT #HET 143 143 ILE B 6 1003 DTP B A 6 FT #HET 146 146 ILE B 6 1003 DTP B S 2 FT #HET 158 158 LYS B 3 1004 DTP A S 5 FT #HET 161 161 GLY B 5 1002 UDP B B 1 FT #HET 162 162 GLY B 5 1002 UDP B B 2 FT #HET 171 171 ARG B 6 1003 DTP B S 9 FT #HET 177 177 VAL B 6 1003 DTP B S 4 FT #HET 178 178 ALA B 6 1003 DTP B A 6 FT #HET 179 179 GLY B 6 1003 DTP B B 3 FT #HET 183 183 LYS B 6 1003 DTP B B 2 FT #HET 184 184 ALA B 6 1003 DTP B A 6 FT #HET 185 185 SER B 6 1003 DTP B A 5 FT #HET 190 190 PHE B 6 1003 DTP B S 3 FT #HET 200 200 VAL B 3 1004 DTP A B 1 FT #HET 201 201 VAL B 3 1004 DTP A A 3 FT #HET 202 202 LYS B 3 1004 DTP A B 8 FT #HET 203 203 GLN B 5 1002 UDP B S 6 FT #HET 320 320 ASN B 5 1002 UDP B S 6 FT #HET 321 321 PRO B 5 1002 UDP B A 3 FT #HET 322 322 CYS B 5 1002 UDP B A 5 FT #HET 324 324 GLU B 5 1002 UDP B S 5 FT #HET 489 489 ALA B 5 1002 UDP B S 1 FT #HET 490 490 PRO B 5 1002 UDP B A 9 FT #HET 491 491 THR B 5 1002 UDP B B 10 FT #HET 492 492 GLY B 5 1002 UDP B B 5 FT #HET 493 493 SER B 5 1002 UDP B A 7 FT #HET 494 494 ILE B 5 1002 UDP B A 3 FT DISORDER 160 160 FT DISORDER 204 209 FT DISORDER 231 236 FT DISORDER 516 525 FT DISORDER 634 644 CC SEQUENCE 610 AA (ATOM); CC MKLSDLISRW IDVEPSKNAQ IILRDRYFMK DLDGNYLETK WEDVARRVAR VVATAELLNP CC SYKKNEKLDR IKEWEDIFFR VLKARLFIPN SPTLFNAGLG VKHDLLWKPI DQMTLEDYEE CC IYRSRNHLHM LSACFVVPVG DSIEEIFEAV KEYALITKVG GVGSNFSELR PKGSFVAGTH CC GKASGPVSFM HVFNSAISVV KQALMGILNI NHPDIEEFID AKKVLNFFNL SVGFPMDKKE CC ILKLYEEDGE LELSHPRSTI RKKVKIRELF RKIATNAWKS GDPGLAFLGE MNKYYPLYPH CC RKINSTNPCG EIGLSDYEAC NLGSIDVAKF YNNGFVDLEA LQELVQIAVR FLDNVIDVNV CC FPIDKITKAV KESRRLGLGI MGFADLLYKL EIPYNSQEAR DFAANLMAFI ALHAHRTSYE CC LGKEKGNFPL LEISRYRTED NFVPFAMGMS NYDDEIREVM KMTKEFRRNV ALLTIAPTGS CC ISNIADTSSG LEPNFLLAYT RFLLYVNQVL REKLNPEILK RIEKELIEKG SLKDIPDVPE CC KIKKVFVVAL DIDPMDHLLM QDAFQRYVDN NISKTINMPQ SATVDDVLNV YLEALRTNVR CC GITVYRDGSL CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MKLSDLISRWIDVEPSKNAQIILRDRYFMKDLDGNYLETKWEDVARRVAR CC ATOM MKLSDLISRWIDVEPSKNAQIILRDRYFMKDLDGNYLETKWEDVARRVAR CC ************************************************** CC SEQRES VVATAELLNPSYKKNEKLDRIKEWEDIFFRVLKARLFIPNSPTLFNAGLG CC ATOM VVATAELLNPSYKKNEKLDRIKEWEDIFFRVLKARLFIPNSPTLFNAGLG CC ************************************************** CC SEQRES VKHDLLWKPIDQMTLEDYEEIYRSRNHLHMLSACFVVPVGDSIEEIFEAV CC ATOM VKHDLLWKPIDQMTLEDYEEIYRSRNHLHMLSACFVVPVGDSIEEIFEAV CC ************************************************** CC SEQRES KEYALITKVGGGVGSNFSELRPKGSFVAGTHGKASGPVSFMHVFNSAISV CC ATOM KEYALITKV-GGVGSNFSELRPKGSFVAGTHGKASGPVSFMHVFNSAISV CC ********* **************************************** CC SEQRES VKQGSRRRGALMGILNINHPDIEEFIDAKKENTGEAVLNFFNLSVGFPMD CC ATOM VKQ------ALMGILNINHPDIEEFIDAKK------VLNFFNLSVGFPMD CC *** ********************* ************** CC SEQRES KKEILKLYEEDGELELSHPRSTIRKKVKIRELFRKIATNAWKSGDPGLAF CC ATOM KKEILKLYEEDGELELSHPRSTIRKKVKIRELFRKIATNAWKSGDPGLAF CC ************************************************** CC SEQRES LGEMNKYYPLYPHRKINSTNPCGEIGLSDYEACNLGSIDVAKFYNNGFVD CC ATOM LGEMNKYYPLYPHRKINSTNPCGEIGLSDYEACNLGSIDVAKFYNNGFVD CC ************************************************** CC SEQRES LEALQELVQIAVRFLDNVIDVNVFPIDKITKAVKESRRLGLGIMGFADLL CC ATOM LEALQELVQIAVRFLDNVIDVNVFPIDKITKAVKESRRLGLGIMGFADLL CC ************************************************** CC SEQRES YKLEIPYNSQEARDFAANLMAFIALHAHRTSYELGKEKGNFPLLEISRYR CC ATOM YKLEIPYNSQEARDFAANLMAFIALHAHRTSYELGKEKGNFPLLEISRYR CC ************************************************** CC SEQRES TEDNFVPFAMGMSNYDDEIREVMKMTKEFRRNVALLTIAPTGSISNIADT CC ATOM TEDNFVPFAMGMSNYDDEIREVMKMTKEFRRNVALLTIAPTGSISNIADT CC ************************************************** CC SEQRES SSGLEPNFLLAYTRFVTKEDGTKEPLLYVNQVLREKLNPEILKRIEKELI CC ATOM SSGLEPNFLLAYTRF----------LLYVNQVLREKLNPEILKRIEKELI CC *************** ************************* CC SEQRES EKGSLKDIPDVPEKIKKVFVVALDIDPMDHLLMQDAFQRYVDNNISKTIN CC ATOM EKGSLKDIPDVPEKIKKVFVVALDIDPMDHLLMQDAFQRYVDNNISKTIN CC ************************************************** CC SEQRES MPQSATVDDVLNVYLEALRTNVRGITVYRDGSLQTQVLTKALKT CC ATOM MPQSATVDDVLNVYLEALRTNVRGITVYRDGSL----------- CC ********************************* SQ SEQUENCE 644 AA; MW; CN; MKLSDLISRW IDVEPSKNAQ IILRDRYFMK DLDGNYLETK WEDVARRVAR VVATAELLNP SYKKNEKLDR IKEWEDIFFR VLKARLFIPN SPTLFNAGLG VKHDLLWKPI DQMTLEDYEE IYRSRNHLHM LSACFVVPVG DSIEEIFEAV KEYALITKVG GGVGSNFSEL RPKGSFVAGT HGKASGPVSF MHVFNSAISV VKQGSRRRGA LMGILNINHP DIEEFIDAKK ENTGEAVLNF FNLSVGFPMD KKEILKLYEE DGELELSHPR STIRKKVKIR ELFRKIATNA WKSGDPGLAF LGEMNKYYPL YPHRKINSTN PCGEIGLSDY EACNLGSIDV AKFYNNGFVD LEALQELVQI AVRFLDNVID VNVFPIDKIT KAVKESRRLG LGIMGFADLL YKLEIPYNSQ EARDFAANLM AFIALHAHRT SYELGKEKGN FPLLEISRYR TEDNFVPFAM GMSNYDDEIR EVMKMTKEFR RNVALLTIAP TGSISNIADT SSGLEPNFLL AYTRFVTKED GTKEPLLYVN QVLREKLNPE ILKRIEKELI EKGSLKDIPD VPEKIKKVFV VALDIDPMDH LLMQDAFQRY VDNNISKTIN MPQSATVDDV LNVYLEALRT NVRGITVYRD GSLQTQVLTK ALKT //