ID 5SWBA STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 5SWB DE Extracellular solute-binding protein OS Streptococcus pneumoniae CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.730 CC R-Factor 0.182 FT #SUB 171 194 GLU A 112 135 PRO C Protein B 1 FT #SUB 174 197 PRO A 115 138 ILE C Protein S 1 FT #SUB 175 198 ASP A 107 130 TYR C Protein S 1 FT #SUB 175 198 ASP A 108 131 LYS C Protein S 4 FT #SUB 28 51 LYS A 52 75 ASP D Protein S 3 FT #SUB 33 56 ASP A 33 56 ASP D Protein S 10 FT #SUB 52 75 ASP A 28 51 LYS D Protein S 4 FT #SUB 54 77 GLN A 54 77 GLN D Protein S 5 FT #SUB 54 77 GLN A 55 78 TYR D Protein S 1 FT #SUB 54 77 GLN A 56 79 LEU D Protein S 1 FT #SUB 55 78 TYR A 54 77 GLN D Protein B 1 FT #SUB 56 79 LEU A 54 77 GLN D Protein S 1 FT #SUB 60 83 ASP A 71 94 SER D Protein S 5 FT #SUB 60 83 ASP A 73 96 GLU D Protein S 5 FT #SUB 63 86 LYS A 67 90 VAL D Protein S 1 FT #SUB 64 87 LYS A 67 90 VAL D Protein S 1 FT #SUB 64 87 LYS A 73 96 GLU D Protein S 6 FT #SUB 67 90 VAL A 63 86 LYS D Protein S 1 FT #SUB 67 90 VAL A 64 87 LYS D Protein S 1 FT #SUB 71 94 SER A 60 83 ASP D Protein S 5 FT #SUB 71 94 SER A 183 206 LYS D Protein S 1 FT #SUB 72 95 GLY A 245 268 ASP D Protein B 1 FT #SUB 73 96 GLU A 64 87 LYS D Protein S 3 FT #SUB 73 96 GLU A 245 268 ASP D Protein B 1 FT #SUB 183 206 LYS A 71 94 SER D Protein S 1 FT #SUB 245 268 ASP A 73 96 GLU D Protein S 4 FT #SUB 245 268 ASP A 74 97 ASN D Protein S 5 FT #HET 27 50 ASP A 5 5 MAN B S 3 FT #HET 28 51 LYS A 32 514 CD A S 1 FT #HET 30 53 ASP A 26 508 CD A S 3 FT #HET 33 56 ASP A 32 514 CD A S 3 FT #HET 33 56 ASP A 35 517 CD A S 2 FT #HET 58 81 TRP A 2 2 BMA B S 2 FT #HET 58 81 TRP A 3 3 MAN B S 5 FT #HET 58 81 TRP A 5 5 MAN B S 3 FT #HET 73 96 GLU A 46 501 CD D S 3 FT #HET 132 155 ASN A 1 1 NAG B S 7 FT #HET 137 160 GLN A 6 6 MAN B S 4 FT #HET 180 203 ALA A 4 4 MAN B B 6 FT #HET 181 204 ILE A 4 4 MAN B A 4 FT #HET 182 205 GLY A 4 4 MAN B B 1 FT #HET 184 207 VAL A 4 4 MAN B S 1 FT #HET 185 208 PHE A 4 4 MAN B B 1 FT #HET 188 211 SER A 6 6 MAN B S 1 FT #HET 197 220 ASN A 6 6 MAN B S 5 FT #HET 226 249 LYS A 33 515 CD A A 4 FT #HET 229 252 HIS A 30 512 CD A S 3 FT #HET 229 252 HIS A 33 515 CD A S 1 FT #HET 230 253 LYS A 33 515 CD A S 2 FT #HET 245 268 ASP A 28 510 CD A S 3 FT #HET 247 270 SER A 5 5 MAN B S 3 FT #HET 248 271 PHE A 5 5 MAN B B 2 FT #HET 249 272 ASP A 5 5 MAN B B 4 FT #HET 250 273 LEU A 5 5 MAN B A 7 FT #HET 258 281 ARG A 3 3 MAN B S 8 FT #HET 258 281 ARG A 4 4 MAN B A 4 FT #HET 259 282 GLU A 4 4 MAN B A 12 FT #HET 260 283 GLU A 3 3 MAN B S 5 FT #HET 261 284 THR A 1 1 NAG B A 10 FT #HET 261 284 THR A 2 2 BMA B S 3 FT #HET 261 284 THR A 6 6 MAN B S 2 FT #HET 266 289 ASP A 1 1 NAG B S 6 FT #HET 271 294 LEU A 1 1 NAG B S 5 FT #HET 272 295 LEU A 1 1 NAG B S 1 FT #HET 293 316 GLN A 6 6 MAN B S 2 FT #HET 297 320 VAL A 1 1 NAG B S 3 FT #HET 297 320 VAL A 2 2 BMA B S 1 FT #HET 297 320 VAL A 6 6 MAN B S 1 FT #HET 306 329 SER A 34 516 CD A B 1 FT #HET 307 330 LYS A 34 516 CD A B 2 FT #HET 308 331 ASN A 34 516 CD A B 1 FT #HET 309 332 LYS A 34 516 CD A A 3 FT #HET 310 333 GLU A 27 509 CD A S 3 FT #HET 310 333 GLU A 34 516 CD A S 1 FT #HET 363 386 TRP A 1 1 NAG B S 12 FT #HET 363 386 TRP A 2 2 BMA B S 3 FT #HET 431 454 ASP A 25 507 CD A S 3 FT #HET 431 454 ASP A 30 512 CD A S 3 FT #HET 431 454 ASP A 33 515 CD A S 3 FT #HET 433 456 ASP A 25 507 CD A S 3 FT #HET 433 456 ASP A 33 515 CD A S 1 FT #HET 462 485 GLU A 29 511 CD A S 2 FT DISORDER 1 16 FT DISORDER 471 476 CC SEQUENCE 454 AA (ATOM); CC KPVIKMYQIG DKPDNLDELL ANANKIIEEK VGAKLDIQYL GWGDYGKKMS VITSSGENYD CC IAFADNYIVN AQKGAYADLT ELYKKEGKDL YKALDPAYIK GNTVNGKIYA VPVAANVASS CC QNFAFNGTLL AKYGIDISGV TSYETLEPVL KQIKEKAPDV VPFAIGKVFI PSDNFDYPVA CC NGLPFVIDLE GDTTKVVNRY EVPRFKEHLK TLHKFYEAGY IPKDVATSDT SFDLQQDTWF CC VREETVGPAD YGNSLLSRVA NKDIQIKPIT NFIKKNQTTQ VANFVISNNS KNKEKSMEIL CC NLLNTNPELL NGLVYGPEGK NWEKIEGKEN RVRVLDGYKG NTHMGGWNTG NNWILYINEN CC VTDQQIENSK KELAEAKESP ALGFIFNTDN VKSEISAIAN TMQQFDTAIN TGTVDPDKAI CC PELMEKLKSE GAYEKVLNEM QKQYDEFLKN KKLE CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGNLTGNSKKAADSGDKPVIKMYQIGDKPDNLDELLANANKIIEEKVGAK CC ATOM ----------------KPVIKMYQIGDKPDNLDELLANANKIIEEKVGAK CC ********************************** CC SEQRES LDIQYLGWGDYGKKMSVITSSGENYDIAFADNYIVNAQKGAYADLTELYK CC ATOM LDIQYLGWGDYGKKMSVITSSGENYDIAFADNYIVNAQKGAYADLTELYK CC ************************************************** CC SEQRES KEGKDLYKALDPAYIKGNTVNGKIYAVPVAANVASSQNFAFNGTLLAKYG CC ATOM KEGKDLYKALDPAYIKGNTVNGKIYAVPVAANVASSQNFAFNGTLLAKYG CC ************************************************** CC SEQRES IDISGVTSYETLEPVLKQIKEKAPDVVPFAIGKVFIPSDNFDYPVANGLP CC ATOM IDISGVTSYETLEPVLKQIKEKAPDVVPFAIGKVFIPSDNFDYPVANGLP CC ************************************************** CC SEQRES FVIDLEGDTTKVVNRYEVPRFKEHLKTLHKFYEAGYIPKDVATSDTSFDL CC ATOM FVIDLEGDTTKVVNRYEVPRFKEHLKTLHKFYEAGYIPKDVATSDTSFDL CC ************************************************** CC SEQRES QQDTWFVREETVGPADYGNSLLSRVANKDIQIKPITNFIKKNQTTQVANF CC ATOM QQDTWFVREETVGPADYGNSLLSRVANKDIQIKPITNFIKKNQTTQVANF CC ************************************************** CC SEQRES VISNNSKNKEKSMEILNLLNTNPELLNGLVYGPEGKNWEKIEGKENRVRV CC ATOM VISNNSKNKEKSMEILNLLNTNPELLNGLVYGPEGKNWEKIEGKENRVRV CC ************************************************** CC SEQRES LDGYKGNTHMGGWNTGNNWILYINENVTDQQIENSKKELAEAKESPALGF CC ATOM LDGYKGNTHMGGWNTGNNWILYINENVTDQQIENSKKELAEAKESPALGF CC ************************************************** CC SEQRES IFNTDNVKSEISAIANTMQQFDTAINTGTVDPDKAIPELMEKLKSEGAYE CC ATOM IFNTDNVKSEISAIANTMQQFDTAINTGTVDPDKAIPELMEKLKSEGAYE CC ************************************************** CC SEQRES KVLNEMQKQYDEFLKNKKLEHHHHHH CC ATOM KVLNEMQKQYDEFLKNKKLE------ CC ******************** SQ SEQUENCE 476 AA; MW; CN; MGNLTGNSKK AADSGDKPVI KMYQIGDKPD NLDELLANAN KIIEEKVGAK LDIQYLGWGD YGKKMSVITS SGENYDIAFA DNYIVNAQKG AYADLTELYK KEGKDLYKAL DPAYIKGNTV NGKIYAVPVA ANVASSQNFA FNGTLLAKYG IDISGVTSYE TLEPVLKQIK EKAPDVVPFA IGKVFIPSDN FDYPVANGLP FVIDLEGDTT KVVNRYEVPR FKEHLKTLHK FYEAGYIPKD VATSDTSFDL QQDTWFVREE TVGPADYGNS LLSRVANKDI QIKPITNFIK KNQTTQVANF VISNNSKNKE KSMEILNLLN TNPELLNGLV YGPEGKNWEK IEGKENRVRV LDGYKGNTHM GGWNTGNNWI LYINENVTDQ QIENSKKELA EAKESPALGF IFNTDNVKSE ISAIANTMQQ FDTAINTGTV DPDKAIPELM EKLKSEGAYE KVLNEMQKQY DEFLKNKKLE HHHHHH // ID 5SWBC STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 5SWB DE Extracellular solute-binding protein OS Streptococcus pneumoniae CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.730 CC R-Factor 0.182 FT #SUB 107 130 TYR C 175 198 ASP A Protein S 1 FT #SUB 108 131 LYS C 175 198 ASP A Protein S 4 FT #SUB 112 135 PRO C 171 194 GLU A Protein S 1 FT #SUB 115 138 ILE C 174 197 PRO A Protein S 1 FT #SUB 101 124 LYS C 307 330 LYS D Protein S 1 FT #SUB 307 330 LYS C 97 120 GLU D Protein S 2 FT #SUB 310 333 GLU C 310 333 GLU D Protein S 1 FT #SUB 28 51 LYS C 52 75 ASP G Protein S 5 FT #SUB 52 75 ASP C 28 51 LYS G Protein S 5 FT #SUB 54 77 GLN C 28 51 LYS G Protein S 2 FT #SUB 54 77 GLN C 54 77 GLN G Protein S 5 FT #SUB 55 78 TYR C 54 77 GLN G Protein B 3 FT #SUB 60 83 ASP C 71 94 SER G Protein S 4 FT #SUB 60 83 ASP C 73 96 GLU G Protein S 5 FT #SUB 64 87 LYS C 73 96 GLU G Protein S 6 FT #SUB 71 94 SER C 60 83 ASP G Protein S 6 FT #SUB 71 94 SER C 183 206 LYS G Protein S 1 FT #SUB 71 94 SER C 243 266 THR G Protein B 1 FT #SUB 73 96 GLU C 60 83 ASP G Protein S 5 FT #SUB 73 96 GLU C 64 87 LYS G Protein S 6 FT #SUB 73 96 GLU C 245 268 ASP G Protein A 3 FT #SUB 74 97 ASN C 245 268 ASP G Protein A 17 FT #SUB 243 266 THR C 71 94 SER G Protein B 1 FT #SUB 245 268 ASP C 73 96 GLU G Protein S 3 FT #SUB 245 268 ASP C 74 97 ASN G Protein A 16 FT #HET 27 50 ASP C 11 5 MAN E S 3 FT #HET 27 50 ASP C 44 515 CD C S 3 FT #HET 33 56 ASP C 43 514 CD C S 3 FT #HET 58 81 TRP C 8 2 BMA E S 2 FT #HET 58 81 TRP C 9 3 MAN E S 1 FT #HET 58 81 TRP C 11 5 MAN E S 2 FT #HET 59 82 GLY C 40 511 CD C B 1 FT #HET 60 83 ASP C 40 511 CD C A 2 FT #HET 73 96 GLU C 55 510 CD G S 4 FT #HET 101 124 LYS C 38 509 CD C S 2 FT #HET 102 125 GLU C 38 509 CD C S 3 FT #HET 132 155 ASN C 7 1 NAG E S 7 FT #HET 137 160 GLN C 12 6 MAN E S 4 FT #HET 149 172 TYR C 42 513 CD C S 1 FT #HET 175 198 ASP C 42 513 CD C S 1 FT #HET 180 203 ALA C 10 4 MAN E B 6 FT #HET 181 204 ILE C 10 4 MAN E A 4 FT #HET 182 205 GLY C 10 4 MAN E B 1 FT #HET 184 207 VAL C 10 4 MAN E S 1 FT #HET 185 208 PHE C 10 4 MAN E B 1 FT #HET 188 211 SER C 12 6 MAN E S 1 FT #HET 197 220 ASN C 12 6 MAN E S 4 FT #HET 226 249 LYS C 45 516 CD C S 2 FT #HET 229 252 HIS C 41 512 CD C S 3 FT #HET 233 256 GLU C 41 512 CD C S 3 FT #HET 245 268 ASP C 36 507 CD C S 3 FT #HET 245 268 ASP C 40 511 CD C S 3 FT #HET 247 270 SER C 11 5 MAN E S 3 FT #HET 248 271 PHE C 11 5 MAN E B 2 FT #HET 249 272 ASP C 11 5 MAN E A 5 FT #HET 250 273 LEU C 11 5 MAN E A 5 FT #HET 258 281 ARG C 9 3 MAN E S 6 FT #HET 258 281 ARG C 10 4 MAN E A 3 FT #HET 259 282 GLU C 10 4 MAN E A 11 FT #HET 260 283 GLU C 9 3 MAN E S 5 FT #HET 261 284 THR C 7 1 NAG E A 9 FT #HET 261 284 THR C 8 2 BMA E S 3 FT #HET 261 284 THR C 12 6 MAN E S 2 FT #HET 266 289 ASP C 7 1 NAG E S 6 FT #HET 271 294 LEU C 7 1 NAG E S 5 FT #HET 272 295 LEU C 7 1 NAG E S 1 FT #HET 293 316 GLN C 12 6 MAN E S 2 FT #HET 297 320 VAL C 7 1 NAG E S 3 FT #HET 297 320 VAL C 8 2 BMA E S 1 FT #HET 297 320 VAL C 12 6 MAN E S 1 FT #HET 310 333 GLU C 38 509 CD C S 3 FT #HET 310 333 GLU C 39 510 CD C S 3 FT #HET 310 333 GLU C 50 511 CD D S 1 FT #HET 363 386 TRP C 7 1 NAG E S 12 FT #HET 363 386 TRP C 8 2 BMA E S 3 FT #HET 431 454 ASP C 37 508 CD C S 3 FT #HET 431 454 ASP C 45 516 CD C S 3 FT #HET 433 456 ASP C 37 508 CD C S 3 FT #HET 433 456 ASP C 45 516 CD C S 1 FT DISORDER 1 17 FT DISORDER 469 476 CC SEQUENCE 451 AA (ATOM); CC PVIKMYQIGD KPDNLDELLA NANKIIEEKV GAKLDIQYLG WGDYGKKMSV ITSSGENYDI CC AFADNYIVNA QKGAYADLTE LYKKEGKDLY KALDPAYIKG NTVNGKIYAV PVAANVASSQ CC NFAFNGTLLA KYGIDISGVT SYETLEPVLK QIKEKAPDVV PFAIGKVFIP SDNFDYPVAN CC GLPFVIDLEG DTTKVVNRYE VPRFKEHLKT LHKFYEAGYI PKDVATSDTS FDLQQDTWFV CC REETVGPADY GNSLLSRVAN KDIQIKPITN FIKKNQTTQV ANFVISNNSK NKEKSMEILN CC LLNTNPELLN GLVYGPEGKN WEKIEGKENR VRVLDGYKGN THMGGWNTGN NWILYINENV CC TDQQIENSKK ELAEAKESPA LGFIFNTDNV KSEISAIANT MQQFDTAINT GTVDPDKAIP CC ELMEKLKSEG AYEKVLNEMQ KQYDEFLKNK K CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGNLTGNSKKAADSGDKPVIKMYQIGDKPDNLDELLANANKIIEEKVGAK CC ATOM -----------------PVIKMYQIGDKPDNLDELLANANKIIEEKVGAK CC ********************************* CC SEQRES LDIQYLGWGDYGKKMSVITSSGENYDIAFADNYIVNAQKGAYADLTELYK CC ATOM LDIQYLGWGDYGKKMSVITSSGENYDIAFADNYIVNAQKGAYADLTELYK CC ************************************************** CC SEQRES KEGKDLYKALDPAYIKGNTVNGKIYAVPVAANVASSQNFAFNGTLLAKYG CC ATOM KEGKDLYKALDPAYIKGNTVNGKIYAVPVAANVASSQNFAFNGTLLAKYG CC ************************************************** CC SEQRES IDISGVTSYETLEPVLKQIKEKAPDVVPFAIGKVFIPSDNFDYPVANGLP CC ATOM IDISGVTSYETLEPVLKQIKEKAPDVVPFAIGKVFIPSDNFDYPVANGLP CC ************************************************** CC SEQRES FVIDLEGDTTKVVNRYEVPRFKEHLKTLHKFYEAGYIPKDVATSDTSFDL CC ATOM FVIDLEGDTTKVVNRYEVPRFKEHLKTLHKFYEAGYIPKDVATSDTSFDL CC ************************************************** CC SEQRES QQDTWFVREETVGPADYGNSLLSRVANKDIQIKPITNFIKKNQTTQVANF CC ATOM QQDTWFVREETVGPADYGNSLLSRVANKDIQIKPITNFIKKNQTTQVANF CC ************************************************** CC SEQRES VISNNSKNKEKSMEILNLLNTNPELLNGLVYGPEGKNWEKIEGKENRVRV CC ATOM VISNNSKNKEKSMEILNLLNTNPELLNGLVYGPEGKNWEKIEGKENRVRV CC ************************************************** CC SEQRES LDGYKGNTHMGGWNTGNNWILYINENVTDQQIENSKKELAEAKESPALGF CC ATOM LDGYKGNTHMGGWNTGNNWILYINENVTDQQIENSKKELAEAKESPALGF CC ************************************************** CC SEQRES IFNTDNVKSEISAIANTMQQFDTAINTGTVDPDKAIPELMEKLKSEGAYE CC ATOM IFNTDNVKSEISAIANTMQQFDTAINTGTVDPDKAIPELMEKLKSEGAYE CC ************************************************** CC SEQRES KVLNEMQKQYDEFLKNKKLEHHHHHH CC ATOM KVLNEMQKQYDEFLKNKK-------- CC ****************** SQ SEQUENCE 476 AA; MW; CN; MGNLTGNSKK AADSGDKPVI KMYQIGDKPD NLDELLANAN KIIEEKVGAK LDIQYLGWGD YGKKMSVITS SGENYDIAFA DNYIVNAQKG AYADLTELYK KEGKDLYKAL DPAYIKGNTV NGKIYAVPVA ANVASSQNFA FNGTLLAKYG IDISGVTSYE TLEPVLKQIK EKAPDVVPFA IGKVFIPSDN FDYPVANGLP FVIDLEGDTT KVVNRYEVPR FKEHLKTLHK FYEAGYIPKD VATSDTSFDL QQDTWFVREE TVGPADYGNS LLSRVANKDI QIKPITNFIK KNQTTQVANF VISNNSKNKE KSMEILNLLN TNPELLNGLV YGPEGKNWEK IEGKENRVRV LDGYKGNTHM GGWNTGNNWI LYINENVTDQ QIENSKKELA EAKESPALGF IFNTDNVKSE ISAIANTMQQ FDTAINTGTV DPDKAIPELM EKLKSEGAYE KVLNEMQKQY DEFLKNKKLE HHHHHH // ID 5SWBD STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 5SWB DE Extracellular solute-binding protein OS Streptococcus pneumoniae CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.730 CC R-Factor 0.182 FT #SUB 28 51 LYS D 52 75 ASP A Protein S 4 FT #SUB 33 56 ASP D 33 56 ASP A Protein S 10 FT #SUB 52 75 ASP D 28 51 LYS A Protein S 3 FT #SUB 54 77 GLN D 54 77 GLN A Protein S 5 FT #SUB 54 77 GLN D 55 78 TYR A Protein S 1 FT #SUB 54 77 GLN D 56 79 LEU A Protein S 1 FT #SUB 55 78 TYR D 54 77 GLN A Protein B 1 FT #SUB 56 79 LEU D 54 77 GLN A Protein S 1 FT #SUB 60 83 ASP D 71 94 SER A Protein S 5 FT #SUB 63 86 LYS D 67 90 VAL A Protein S 1 FT #SUB 64 87 LYS D 67 90 VAL A Protein S 1 FT #SUB 64 87 LYS D 73 96 GLU A Protein S 3 FT #SUB 67 90 VAL D 63 86 LYS A Protein S 1 FT #SUB 67 90 VAL D 64 87 LYS A Protein S 1 FT #SUB 71 94 SER D 60 83 ASP A Protein S 5 FT #SUB 71 94 SER D 183 206 LYS A Protein S 1 FT #SUB 73 96 GLU D 60 83 ASP A Protein S 5 FT #SUB 73 96 GLU D 64 87 LYS A Protein S 6 FT #SUB 73 96 GLU D 245 268 ASP A Protein A 4 FT #SUB 74 97 ASN D 245 268 ASP A Protein A 5 FT #SUB 183 206 LYS D 71 94 SER A Protein S 1 FT #SUB 245 268 ASP D 72 95 GLY A Protein S 1 FT #SUB 245 268 ASP D 73 96 GLU A Protein S 1 FT #SUB 97 120 GLU D 307 330 LYS C Protein S 2 FT #SUB 307 330 LYS D 101 124 LYS C Protein B 1 FT #SUB 310 333 GLU D 310 333 GLU C Protein S 1 FT #SUB 107 130 TYR D 175 198 ASP G Protein S 9 FT #SUB 112 135 PRO D 172 195 LYS G Protein S 1 FT #SUB 112 135 PRO D 174 197 PRO G Protein S 1 FT #HET 27 50 ASP D 17 5 MAN F S 3 FT #HET 28 51 LYS D 35 517 CD A S 1 FT #HET 33 56 ASP D 32 514 CD A S 3 FT #HET 33 56 ASP D 35 517 CD A S 3 FT #HET 58 81 TRP D 14 2 BMA F S 1 FT #HET 58 81 TRP D 15 3 MAN F S 4 FT #HET 58 81 TRP D 17 5 MAN F S 3 FT #HET 60 83 ASP D 46 501 CD D A 4 FT #HET 132 155 ASN D 13 1 NAG F S 7 FT #HET 137 160 GLN D 18 6 MAN F S 4 FT #HET 180 203 ALA D 16 4 MAN F B 6 FT #HET 181 204 ILE D 16 4 MAN F A 4 FT #HET 182 205 GLY D 16 4 MAN F B 1 FT #HET 184 207 VAL D 16 4 MAN F S 1 FT #HET 185 208 PHE D 16 4 MAN F B 1 FT #HET 188 211 SER D 18 6 MAN F S 1 FT #HET 197 220 ASN D 18 6 MAN F S 5 FT #HET 247 270 SER D 17 5 MAN F S 3 FT #HET 248 271 PHE D 17 5 MAN F B 3 FT #HET 249 272 ASP D 17 5 MAN F A 5 FT #HET 250 273 LEU D 17 5 MAN F A 5 FT #HET 258 281 ARG D 15 3 MAN F S 6 FT #HET 258 281 ARG D 16 4 MAN F A 3 FT #HET 259 282 GLU D 16 4 MAN F A 11 FT #HET 260 283 GLU D 15 3 MAN F S 5 FT #HET 261 284 THR D 13 1 NAG F A 10 FT #HET 261 284 THR D 14 2 BMA F S 4 FT #HET 261 284 THR D 18 6 MAN F S 2 FT #HET 266 289 ASP D 13 1 NAG F S 6 FT #HET 271 294 LEU D 13 1 NAG F S 5 FT #HET 272 295 LEU D 13 1 NAG F S 1 FT #HET 293 316 GLN D 18 6 MAN F S 2 FT #HET 297 320 VAL D 13 1 NAG F S 3 FT #HET 297 320 VAL D 14 2 BMA F S 1 FT #HET 297 320 VAL D 18 6 MAN F S 1 FT #HET 306 329 SER D 50 511 CD D B 1 FT #HET 307 330 LYS D 50 511 CD D B 3 FT #HET 308 331 ASN D 50 511 CD D B 2 FT #HET 309 332 LYS D 50 511 CD D A 3 FT #HET 310 333 GLU D 39 510 CD C S 3 FT #HET 310 333 GLU D 50 511 CD D S 1 FT #HET 342 365 GLU D 48 509 CD D S 3 FT #HET 342 365 GLU D 49 510 CD D S 1 FT #HET 363 386 TRP D 13 1 NAG F S 12 FT #HET 363 386 TRP D 14 2 BMA F S 3 FT #HET 431 454 ASP D 47 508 CD D S 3 FT #HET 433 456 ASP D 47 508 CD D S 3 FT DISORDER 1 17 FT DISORDER 468 476 CC SEQUENCE 450 AA (ATOM); CC PVIKMYQIGD KPDNLDELLA NANKIIEEKV GAKLDIQYLG WGDYGKKMSV ITSSGENYDI CC AFADNYIVNA QKGAYADLTE LYKKEGKDLY KALDPAYIKG NTVNGKIYAV PVAANVASSQ CC NFAFNGTLLA KYGIDISGVT SYETLEPVLK QIKEKAPDVV PFAIGKVFIP SDNFDYPVAN CC GLPFVIDLEG DTTKVVNRYE VPRFKEHLKT LHKFYEAGYI PKDVATSDTS FDLQQDTWFV CC REETVGPADY GNSLLSRVAN KDIQIKPITN FIKKNQTTQV ANFVISNNSK NKEKSMEILN CC LLNTNPELLN GLVYGPEGKN WEKIEGKENR VRVLDGYKGN THMGGWNTGN NWILYINENV CC TDQQIENSKK ELAEAKESPA LGFIFNTDNV KSEISAIANT MQQFDTAINT GTVDPDKAIP CC ELMEKLKSEG AYEKVLNEMQ KQYDEFLKNK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGNLTGNSKKAADSGDKPVIKMYQIGDKPDNLDELLANANKIIEEKVGAK CC ATOM -----------------PVIKMYQIGDKPDNLDELLANANKIIEEKVGAK CC ********************************* CC SEQRES LDIQYLGWGDYGKKMSVITSSGENYDIAFADNYIVNAQKGAYADLTELYK CC ATOM LDIQYLGWGDYGKKMSVITSSGENYDIAFADNYIVNAQKGAYADLTELYK CC ************************************************** CC SEQRES KEGKDLYKALDPAYIKGNTVNGKIYAVPVAANVASSQNFAFNGTLLAKYG CC ATOM KEGKDLYKALDPAYIKGNTVNGKIYAVPVAANVASSQNFAFNGTLLAKYG CC ************************************************** CC SEQRES IDISGVTSYETLEPVLKQIKEKAPDVVPFAIGKVFIPSDNFDYPVANGLP CC ATOM IDISGVTSYETLEPVLKQIKEKAPDVVPFAIGKVFIPSDNFDYPVANGLP CC ************************************************** CC SEQRES FVIDLEGDTTKVVNRYEVPRFKEHLKTLHKFYEAGYIPKDVATSDTSFDL CC ATOM FVIDLEGDTTKVVNRYEVPRFKEHLKTLHKFYEAGYIPKDVATSDTSFDL CC ************************************************** CC SEQRES QQDTWFVREETVGPADYGNSLLSRVANKDIQIKPITNFIKKNQTTQVANF CC ATOM QQDTWFVREETVGPADYGNSLLSRVANKDIQIKPITNFIKKNQTTQVANF CC ************************************************** CC SEQRES VISNNSKNKEKSMEILNLLNTNPELLNGLVYGPEGKNWEKIEGKENRVRV CC ATOM VISNNSKNKEKSMEILNLLNTNPELLNGLVYGPEGKNWEKIEGKENRVRV CC ************************************************** CC SEQRES LDGYKGNTHMGGWNTGNNWILYINENVTDQQIENSKKELAEAKESPALGF CC ATOM LDGYKGNTHMGGWNTGNNWILYINENVTDQQIENSKKELAEAKESPALGF CC ************************************************** CC SEQRES IFNTDNVKSEISAIANTMQQFDTAINTGTVDPDKAIPELMEKLKSEGAYE CC ATOM IFNTDNVKSEISAIANTMQQFDTAINTGTVDPDKAIPELMEKLKSEGAYE CC ************************************************** CC SEQRES KVLNEMQKQYDEFLKNKKLEHHHHHH CC ATOM KVLNEMQKQYDEFLKNK--------- CC ***************** SQ SEQUENCE 476 AA; MW; CN; MGNLTGNSKK AADSGDKPVI KMYQIGDKPD NLDELLANAN KIIEEKVGAK LDIQYLGWGD YGKKMSVITS SGENYDIAFA DNYIVNAQKG AYADLTELYK KEGKDLYKAL DPAYIKGNTV NGKIYAVPVA ANVASSQNFA FNGTLLAKYG IDISGVTSYE TLEPVLKQIK EKAPDVVPFA IGKVFIPSDN FDYPVANGLP FVIDLEGDTT KVVNRYEVPR FKEHLKTLHK FYEAGYIPKD VATSDTSFDL QQDTWFVREE TVGPADYGNS LLSRVANKDI QIKPITNFIK KNQTTQVANF VISNNSKNKE KSMEILNLLN TNPELLNGLV YGPEGKNWEK IEGKENRVRV LDGYKGNTHM GGWNTGNNWI LYINENVTDQ QIENSKKELA EAKESPALGF IFNTDNVKSE ISAIANTMQQ FDTAINTGTV DPDKAIPELM EKLKSEGAYE KVLNEMQKQY DEFLKNKKLE HHHHHH // ID 5SWBG STANDARD; PRT; 476 AA. DT CONVERTED FROM PDB (SEQRES) 5SWB DE Extracellular solute-binding protein OS Streptococcus pneumoniae CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.730 CC R-Factor 0.182 FT #SUB 28 51 LYS G 52 75 ASP C Protein S 5 FT #SUB 28 51 LYS G 54 77 GLN C Protein S 2 FT #SUB 52 75 ASP G 28 51 LYS C Protein S 5 FT #SUB 54 77 GLN G 54 77 GLN C Protein S 5 FT #SUB 54 77 GLN G 55 78 TYR C Protein S 3 FT #SUB 60 83 ASP G 71 94 SER C Protein S 6 FT #SUB 60 83 ASP G 73 96 GLU C Protein S 5 FT #SUB 64 87 LYS G 73 96 GLU C Protein S 6 FT #SUB 71 94 SER G 60 83 ASP C Protein S 4 FT #SUB 71 94 SER G 243 266 THR C Protein B 1 FT #SUB 73 96 GLU G 60 83 ASP C Protein S 5 FT #SUB 73 96 GLU G 64 87 LYS C Protein S 6 FT #SUB 73 96 GLU G 245 268 ASP C Protein A 3 FT #SUB 74 97 ASN G 245 268 ASP C Protein A 16 FT #SUB 183 206 LYS G 71 94 SER C Protein S 1 FT #SUB 243 266 THR G 71 94 SER C Protein B 1 FT #SUB 245 268 ASP G 73 96 GLU C Protein S 3 FT #SUB 245 268 ASP G 74 97 ASN C Protein A 17 FT #SUB 172 195 LYS G 112 135 PRO D Protein B 1 FT #SUB 174 197 PRO G 112 135 PRO D Protein S 1 FT #SUB 175 198 ASP G 107 130 TYR D Protein S 9 FT #HET 27 50 ASP G 23 5 MAN H S 4 FT #HET 50 73 LYS G 43 514 CD C S 1 FT #HET 58 81 TRP G 20 2 BMA H S 3 FT #HET 58 81 TRP G 21 3 MAN H S 4 FT #HET 58 81 TRP G 23 5 MAN H S 2 FT #HET 58 81 TRP G 55 510 CD G B 1 FT #HET 59 82 GLY G 55 510 CD G B 2 FT #HET 60 83 ASP G 55 510 CD G S 1 FT #HET 73 96 GLU G 40 511 CD C S 4 FT #HET 132 155 ASN G 19 1 NAG H S 7 FT #HET 137 160 GLN G 24 6 MAN H S 4 FT #HET 171 194 GLU G 54 509 CD G S 3 FT #HET 180 203 ALA G 22 4 MAN H B 6 FT #HET 181 204 ILE G 22 4 MAN H B 3 FT #HET 182 205 GLY G 22 4 MAN H B 1 FT #HET 184 207 VAL G 22 4 MAN H S 1 FT #HET 185 208 PHE G 22 4 MAN H A 2 FT #HET 188 211 SER G 24 6 MAN H S 1 FT #HET 197 220 ASN G 24 6 MAN H S 5 FT #HET 226 249 LYS G 58 513 CD G S 2 FT #HET 229 252 HIS G 58 513 CD G S 1 FT #HET 245 268 ASP G 52 507 CD G S 3 FT #HET 245 268 ASP G 55 510 CD G S 3 FT #HET 247 270 SER G 23 5 MAN H S 4 FT #HET 248 271 PHE G 23 5 MAN H B 3 FT #HET 249 272 ASP G 23 5 MAN H B 4 FT #HET 250 273 LEU G 23 5 MAN H A 5 FT #HET 258 281 ARG G 21 3 MAN H S 8 FT #HET 258 281 ARG G 22 4 MAN H A 3 FT #HET 259 282 GLU G 22 4 MAN H A 12 FT #HET 260 283 GLU G 21 3 MAN H S 6 FT #HET 261 284 THR G 19 1 NAG H A 10 FT #HET 261 284 THR G 20 2 BMA H S 3 FT #HET 261 284 THR G 24 6 MAN H S 2 FT #HET 266 289 ASP G 19 1 NAG H S 6 FT #HET 271 294 LEU G 19 1 NAG H S 5 FT #HET 272 295 LEU G 19 1 NAG H S 1 FT #HET 293 316 GLN G 24 6 MAN H S 2 FT #HET 297 320 VAL G 19 1 NAG H S 3 FT #HET 297 320 VAL G 20 2 BMA H S 1 FT #HET 297 320 VAL G 24 6 MAN H S 1 FT #HET 339 362 GLU G 56 511 CD G S 3 FT #HET 342 365 GLU G 53 508 CD G S 3 FT #HET 363 386 TRP G 19 1 NAG H S 12 FT #HET 363 386 TRP G 20 2 BMA H S 4 FT #HET 431 454 ASP G 58 513 CD G S 3 FT #HET 433 456 ASP G 58 513 CD G S 1 FT #HET 462 485 GLU G 57 512 CD G S 3 FT #HET 466 489 ASN G 57 512 CD G S 2 FT DISORDER 1 16 FT DISORDER 471 476 CC SEQUENCE 454 AA (ATOM); CC KPVIKMYQIG DKPDNLDELL ANANKIIEEK VGAKLDIQYL GWGDYGKKMS VITSSGENYD CC IAFADNYIVN AQKGAYADLT ELYKKEGKDL YKALDPAYIK GNTVNGKIYA VPVAANVASS CC QNFAFNGTLL AKYGIDISGV TSYETLEPVL KQIKEKAPDV VPFAIGKVFI PSDNFDYPVA CC NGLPFVIDLE GDTTKVVNRY EVPRFKEHLK TLHKFYEAGY IPKDVATSDT SFDLQQDTWF CC VREETVGPAD YGNSLLSRVA NKDIQIKPIT NFIKKNQTTQ VANFVISNNS KNKEKSMEIL CC NLLNTNPELL NGLVYGPEGK NWEKIEGKEN RVRVLDGYKG NTHMGGWNTG NNWILYINEN CC VTDQQIENSK KELAEAKESP ALGFIFNTDN VKSEISAIAN TMQQFDTAIN TGTVDPDKAI CC PELMEKLKSE GAYEKVLNEM QKQYDEFLKN KKLE CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGNLTGNSKKAADSGDKPVIKMYQIGDKPDNLDELLANANKIIEEKVGAK CC ATOM ----------------KPVIKMYQIGDKPDNLDELLANANKIIEEKVGAK CC ********************************** CC SEQRES LDIQYLGWGDYGKKMSVITSSGENYDIAFADNYIVNAQKGAYADLTELYK CC ATOM LDIQYLGWGDYGKKMSVITSSGENYDIAFADNYIVNAQKGAYADLTELYK CC ************************************************** CC SEQRES KEGKDLYKALDPAYIKGNTVNGKIYAVPVAANVASSQNFAFNGTLLAKYG CC ATOM KEGKDLYKALDPAYIKGNTVNGKIYAVPVAANVASSQNFAFNGTLLAKYG CC ************************************************** CC SEQRES IDISGVTSYETLEPVLKQIKEKAPDVVPFAIGKVFIPSDNFDYPVANGLP CC ATOM IDISGVTSYETLEPVLKQIKEKAPDVVPFAIGKVFIPSDNFDYPVANGLP CC ************************************************** CC SEQRES FVIDLEGDTTKVVNRYEVPRFKEHLKTLHKFYEAGYIPKDVATSDTSFDL CC ATOM FVIDLEGDTTKVVNRYEVPRFKEHLKTLHKFYEAGYIPKDVATSDTSFDL CC ************************************************** CC SEQRES QQDTWFVREETVGPADYGNSLLSRVANKDIQIKPITNFIKKNQTTQVANF CC ATOM QQDTWFVREETVGPADYGNSLLSRVANKDIQIKPITNFIKKNQTTQVANF CC ************************************************** CC SEQRES VISNNSKNKEKSMEILNLLNTNPELLNGLVYGPEGKNWEKIEGKENRVRV CC ATOM VISNNSKNKEKSMEILNLLNTNPELLNGLVYGPEGKNWEKIEGKENRVRV CC ************************************************** CC SEQRES LDGYKGNTHMGGWNTGNNWILYINENVTDQQIENSKKELAEAKESPALGF CC ATOM LDGYKGNTHMGGWNTGNNWILYINENVTDQQIENSKKELAEAKESPALGF CC ************************************************** CC SEQRES IFNTDNVKSEISAIANTMQQFDTAINTGTVDPDKAIPELMEKLKSEGAYE CC ATOM IFNTDNVKSEISAIANTMQQFDTAINTGTVDPDKAIPELMEKLKSEGAYE CC ************************************************** CC SEQRES KVLNEMQKQYDEFLKNKKLEHHHHHH CC ATOM KVLNEMQKQYDEFLKNKKLE------ CC ******************** SQ SEQUENCE 476 AA; MW; CN; MGNLTGNSKK AADSGDKPVI KMYQIGDKPD NLDELLANAN KIIEEKVGAK LDIQYLGWGD YGKKMSVITS SGENYDIAFA DNYIVNAQKG AYADLTELYK KEGKDLYKAL DPAYIKGNTV NGKIYAVPVA ANVASSQNFA FNGTLLAKYG IDISGVTSYE TLEPVLKQIK EKAPDVVPFA IGKVFIPSDN FDYPVANGLP FVIDLEGDTT KVVNRYEVPR FKEHLKTLHK FYEAGYIPKD VATSDTSFDL QQDTWFVREE TVGPADYGNS LLSRVANKDI QIKPITNFIK KNQTTQVANF VISNNSKNKE KSMEILNLLN TNPELLNGLV YGPEGKNWEK IEGKENRVRV LDGYKGNTHM GGWNTGNNWI LYINENVTDQ QIENSKKELA EAKESPALGF IFNTDNVKSE ISAIANTMQQ FDTAINTGTV DPDKAIPELM EKLKSEGAYE KVLNEMQKQY DEFLKNKKLE HHHHHH //