ID 6I97A STANDARD; PRT; 768 AA. DT CONVERTED FROM PDB (SEQRES) 6I97 DE TonB-dependent receptor OS Pseudomonas aeruginosa CC EXPDTA X-RAY DIFFRACTION CC RESOLU 3.350 CC R-Factor 0.231 FT #SUB 1 53 GLU A 430 482 GLY B Protein S 1 FT #SUB 1 53 GLU A 431 483 ALA B Protein S 1 FT #SUB 1 53 GLU A 432 484 ALA B Protein S 1 FT #SUB 2 54 GLN A 433 485 ARG B Protein S 2 FT #SUB 2 54 GLN A 495 547 ASP B Protein S 5 FT #SUB 2 54 GLN A 497 549 ASP B Protein S 4 FT #SUB 3 55 ALA A 497 549 ASP B Protein B 2 FT #SUB 3 55 ALA A 498 550 GLN B Protein B 2 FT #SUB 3 55 ALA A 500 552 ARG B Protein B 1 FT #SUB 4 56 ARG A 122 174 GLU B Protein S 4 FT #SUB 5 57 PRO A 540 592 PHE B Protein S 1 FT #SUB 5 57 PRO A 541 593 ASP B Protein S 5 FT #SUB 6 58 TYR A 584 636 PRO B Protein B 1 FT #SUB 7 59 ALA A 584 636 PRO B Protein A 3 FT #SUB 18 70 ASN A 95 147 LEU B Protein S 4 FT #SUB 18 70 ASN A 96 148 GLY B Protein S 1 FT #SUB 21 73 ALA A 95 147 LEU B Protein S 2 FT #SUB 21 73 ALA A 96 148 GLY B Protein S 2 FT #SUB 22 74 ARG A 97 149 ASN B Protein S 1 FT #SUB 26 78 ILE A 96 148 GLY B Protein B 1 FT #SUB 27 79 THR A 95 147 LEU B Protein A 4 FT #SUB 28 80 LEU A 93 145 PHE B Protein B 1 FT #SUB 28 80 LEU A 95 147 LEU B Protein B 11 FT #SUB 29 81 SER A 93 145 PHE B Protein A 3 FT #SUB 30 82 ALA A 91 143 GLU B Protein B 1 FT #SUB 30 82 ALA A 92 144 VAL B Protein B 2 FT #SUB 30 82 ALA A 93 145 PHE B Protein B 6 FT #SUB 31 83 THR A 90 142 VAL B Protein S 1 FT #SUB 31 83 THR A 91 143 GLU B Protein A 4 FT #SUB 31 83 THR A 92 144 VAL B Protein S 3 FT #SUB 32 84 PRO A 91 143 GLU B Protein S 2 FT #SUB 32 84 PRO A 93 145 PHE B Protein S 2 FT #SUB 46 98 SER A 498 550 GLN B Protein S 3 FT #SUB 46 98 SER A 541 593 ASP B Protein S 3 FT #SUB 69 121 ASP A 370 422 ASP B Protein A 2 FT #SUB 90 142 VAL A 31 83 THR B Protein S 2 FT #SUB 91 143 GLU A 31 83 THR B Protein B 4 FT #SUB 91 143 GLU A 32 84 PRO B Protein B 1 FT #SUB 92 144 VAL A 30 82 ALA B Protein B 2 FT #SUB 92 144 VAL A 31 83 THR B Protein A 2 FT #SUB 93 145 PHE A 28 80 LEU B Protein B 1 FT #SUB 93 145 PHE A 29 81 SER B Protein B 2 FT #SUB 93 145 PHE A 30 82 ALA B Protein A 7 FT #SUB 94 146 ALA A 28 80 LEU B Protein B 2 FT #SUB 95 147 LEU A 18 70 ASN B Protein A 3 FT #SUB 95 147 LEU A 21 73 ALA B Protein A 3 FT #SUB 95 147 LEU A 26 78 ILE B Protein B 1 FT #SUB 95 147 LEU A 27 79 THR B Protein B 3 FT #SUB 95 147 LEU A 28 80 LEU B Protein A 6 FT #SUB 96 148 GLY A 18 70 ASN B Protein B 2 FT #SUB 96 148 GLY A 22 74 ARG B Protein B 5 FT #SUB 96 148 GLY A 26 78 ILE B Protein B 1 FT #SUB 97 149 ASN A 22 74 ARG B Protein A 3 FT #SUB 430 482 GLY A 1 53 GLU B Protein B 2 FT #SUB 433 485 ARG A 2 54 GLN B Protein S 4 FT #SUB 495 547 ASP A 2 54 GLN B Protein B 1 FT #SUB 541 593 ASP A 5 57 PRO B Protein A 4 FT #SUB 584 636 PRO A 7 59 ALA B Protein B 1 FT #SUB 585 637 GLY A 23 75 GLU B Protein B 1 FT #SUB 679 731 GLY A 679 731 GLY B Protein B 3 FT #SUB 680 732 PRO A 679 731 GLY B Protein B 3 FT #SUB 680 732 PRO A 680 732 PRO B Protein B 5 FT #SUB 680 732 PRO A 722 774 LYS B Protein S 1 FT #SUB 718 770 TYR A 680 732 PRO B Protein S 1 FT #SUB 723 775 LEU A 680 732 PRO B Protein S 2 FT #SUB 76 128 GLU A 5 255 LYS D Protein S 2 FT #SUB 79 131 ALA A 3 253 ASP D Protein S 1 FT #SUB 81 133 ASP A 78 328 ARG D Protein B 1 FT #SUB 83 135 ASP A 78 328 ARG D Protein B 1 FT #SUB 84 136 VAL A 79 329 GLN D Protein A 3 FT #SUB 84 136 VAL A 80 330 ALA D Protein S 1 FT #SUB 85 137 LEU A 78 328 ARG D Protein S 3 FT #SUB 85 137 LEU A 79 329 GLN D Protein A 2 FT #SUB 85 137 LEU A 80 330 ALA D Protein B 3 FT #SUB 85 137 LEU A 81 331 THR D Protein B 5 FT #SUB 86 138 ASN A 81 331 THR D Protein A 6 FT #SUB 87 139 MET A 4 254 ILE D Protein S 1 FT #SUB 87 139 MET A 31 281 PHE D Protein S 1 FT #SUB 87 139 MET A 33 283 ILE D Protein S 1 FT #SUB 87 139 MET A 66 316 PHE D Protein S 1 FT #SUB 87 139 MET A 81 331 THR D Protein A 5 FT #SUB 88 140 GLN A 82 332 LYS D Protein B 3 FT #SUB 89 141 ALA A 83 333 MET D Protein A 4 FT #SUB 90 142 VAL A 83 333 MET D Protein A 3 FT #SUB 90 142 VAL A 84 334 PHE D Protein A 4 FT #SUB 90 142 VAL A 85 335 PHE D Protein B 5 FT #SUB 91 143 GLU A 85 335 PHE D Protein B 2 FT #SUB 91 143 GLU A 87 337 LYS D Protein S 2 FT #SUB 92 144 VAL A 12 262 PRO D Protein S 1 FT #SUB 92 144 VAL A 14 264 TYR D Protein B 2 FT #SUB 92 144 VAL A 85 335 PHE D Protein A 5 FT #SUB 92 144 VAL A 86 336 PHE D Protein A 5 FT #SUB 92 144 VAL A 87 337 LYS D Protein B 4 FT #SUB 93 145 PHE A 87 337 LYS D Protein A 6 FT #SUB 93 145 PHE A 89 339 GLU D Protein S 4 FT #SUB 94 146 ALA A 14 264 TYR D Protein A 4 FT #SUB 94 146 ALA A 87 337 LYS D Protein B 1 FT #SUB 94 146 ALA A 89 339 GLU D Protein B 1 FT #SUB 95 147 LEU A 89 339 GLU D Protein S 2 FT #SUB 97 149 ASN A 19 269 GLN D Protein S 2 FT #SUB 97 149 ASN A 88 338 ILE D Protein S 2 FT #SUB 97 149 ASN A 89 339 GLU D Protein S 1 FT #SUB 236 288 TYR A 21 271 ARG D Protein S 15 FT #SUB 236 288 TYR A 23 273 ILE D Protein S 2 FT #SUB 264 316 GLU A 49 299 PRO D Protein B 3 FT #SUB 264 316 GLU A 50 300 SER D Protein B 3 FT #SUB 265 317 GLU A 50 300 SER D Protein A 2 FT #SUB 265 317 GLU A 52 302 MET D Protein B 1 FT #SUB 266 318 LYS A 49 299 PRO D Protein S 2 FT #SUB 300 352 ASP A 21 271 ARG D Protein S 5 FT #SUB 367 419 ARG A 16 266 ARG D Protein S 1 FT #SUB 18 70 ASN A 89 339 GLU E Protein S 3 FT #SUB 18 70 ASN A 90 340 LYS E Protein S 1 FT #SUB 22 74 ARG A 90 340 LYS E Protein S 5 FT #SUB 29 81 SER A 13 263 VAL E Protein S 3 FT #SUB 29 81 SER A 14 264 TYR E Protein S 4 FT #SUB 34 86 GLN A 11 261 PRO E Protein S 5 FT #SUB 67 119 GLN A 13 263 VAL E Protein S 3 FT #SUB 73 125 VAL A 13 263 VAL E Protein S 2 FT #SUB 74 126 LEU A 11 261 PRO E Protein B 2 FT #SUB 75 127 ARG A 10 260 ASP E Protein A 6 FT #SUB 76 128 GLU A 8 258 ARG E Protein S 1 FT #SUB 76 128 GLU A 10 260 ASP E Protein A 4 FT #SUB 78 130 PRO A 8 258 ARG E Protein S 1 FT #HET 164 216 TYR A 1 901 0UE A S 6 FT #HET 166 218 TYR A 1 901 0UE A S 8 FT #HET 177 229 VAL A 1 901 0UE A S 1 FT #HET 192 244 GLY A 1 901 0UE A B 3 FT #HET 193 245 THR A 1 901 0UE A B 3 FT #HET 194 246 PHE A 1 901 0UE A S 5 FT #HET 322 374 HIS A 1 901 0UE A A 12 FT #HET 323 375 GLY A 1 901 0UE A B 3 FT #HET 389 441 GLN A 1 901 0UE A S 2 FT #HET 391 443 TYR A 1 901 0UE A S 5 FT #HET 605 657 LYS A 1 901 0UE A S 8 FT #HET 607 659 PRO A 1 901 0UE A A 8 FT #HET 609 661 ASP A 1 901 0UE A B 1 FT #HET 612 664 TYR A 1 901 0UE A S 1 FT #HET 747 799 TYR A 1 901 0UE A S 6 FT #HET 751 803 PHE A 1 901 0UE A S 2 FT #HET 753 805 TYR A 1 901 0UE A S 6 FT DISORDER 98 102 CC SEQUENCE 763 AA (ATOM); CC EQARPYAIPA GQLGDVLNRF AREAGITLSA TPAQTGGYSS QGLRGSFTVQ QGLARLLADT CC PLEAEDQGDG SFVLREAPAK DGDVLNMQAV EVFALGNDGY LATHSQIATK TSKPLLETSQ CC TVSVITREQI DDTASKTVQQ AMRYTPGIFT GQVGASNRYD YVVMRGFADN SVDNIYLDGL CC KAMGDSGTFS SMQVDPYFLE RIDVLKGPSS VLYGRSLPGG LVALTSKKPL YEDYRQITGS CC IGNMGQKEMG FDFSGPLDEE KRIAYRLIGL GKGSDTQFDH VKEERYAIAP TLAIDFSDDT CC TLTLQGYLQH DPNGGYHGGV PADGTLSHHN GRHISREFFD GEPSKDDFDR TQRMFGYQLE CC HRIDDVWSAR QNFRYLDSDV DLSQVYAYGW SASEPNKLNR YFSGAREHLQ AYIVDNMLQA CC EFATGAARHT LLTGLDYQRR RTVVDWRSGS ASALDAFNPV YGDDAISYFP DDNHTRRLEQ CC TGVYLQDLID IDQWRFSLGL RQDWVSVTDK NRSTGSKADD DWEKFTGRIG ALYLFDNGLA CC PYVSYSESFN PNAYSDASGT PLAPTEGKQW ELGLKFQAPG SNSFYTASLF HITQENVASK CC EPQDNFYTSV GEVRSQGLEL EAHTQLSDNL KLLGSYTYTD ITYTKSLDGN QGHTPNQAPK CC HMASLWADYA FDAGPLSGLS IGGGARYVGE TWADKENTLR VPDYTLVDAR IGYDLGKLGL CC KGLDVSLNAN NLLDKDYVAS CYSLDFCYFG EKRNVTATVN YQF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES EQARPYAIPAGQLGDVLNRFAREAGITLSATPAQTGGYSSQGLRGSFTVQ CC ATOM EQARPYAIPAGQLGDVLNRFAREAGITLSATPAQTGGYSSQGLRGSFTVQ CC ************************************************** CC SEQRES QGLARLLADTPLEAEDQGDGSFVLREAPAKDGDVLNMQAVEVFALGNNLG CC ATOM QGLARLLADTPLEAEDQGDGSFVLREAPAKDGDVLNMQAVEVFALGN--- CC *********************************************** CC SEQRES STDGYLATHSQIATKTSKPLLETSQTVSVITREQIDDTASKTVQQAMRYT CC ATOM --DGYLATHSQIATKTSKPLLETSQTVSVITREQIDDTASKTVQQAMRYT CC ************************************************ CC SEQRES PGIFTGQVGASNRYDYVVMRGFADNSVDNIYLDGLKAMGDSGTFSSMQVD CC ATOM PGIFTGQVGASNRYDYVVMRGFADNSVDNIYLDGLKAMGDSGTFSSMQVD CC ************************************************** CC SEQRES PYFLERIDVLKGPSSVLYGRSLPGGLVALTSKKPLYEDYRQITGSIGNMG CC ATOM PYFLERIDVLKGPSSVLYGRSLPGGLVALTSKKPLYEDYRQITGSIGNMG CC ************************************************** CC SEQRES QKEMGFDFSGPLDEEKRIAYRLIGLGKGSDTQFDHVKEERYAIAPTLAID CC ATOM QKEMGFDFSGPLDEEKRIAYRLIGLGKGSDTQFDHVKEERYAIAPTLAID CC ************************************************** CC SEQRES FSDDTTLTLQGYLQHDPNGGYHGGVPADGTLSHHNGRHISREFFDGEPSK CC ATOM FSDDTTLTLQGYLQHDPNGGYHGGVPADGTLSHHNGRHISREFFDGEPSK CC ************************************************** CC SEQRES DDFDRTQRMFGYQLEHRIDDVWSARQNFRYLDSDVDLSQVYAYGWSASEP CC ATOM DDFDRTQRMFGYQLEHRIDDVWSARQNFRYLDSDVDLSQVYAYGWSASEP CC ************************************************** CC SEQRES NKLNRYFSGAREHLQAYIVDNMLQAEFATGAARHTLLTGLDYQRRRTVVD CC ATOM NKLNRYFSGAREHLQAYIVDNMLQAEFATGAARHTLLTGLDYQRRRTVVD CC ************************************************** CC SEQRES WRSGSASALDAFNPVYGDDAISYFPDDNHTRRLEQTGVYLQDLIDIDQWR CC ATOM WRSGSASALDAFNPVYGDDAISYFPDDNHTRRLEQTGVYLQDLIDIDQWR CC ************************************************** CC SEQRES FSLGLRQDWVSVTDKNRSTGSKADDDWEKFTGRIGALYLFDNGLAPYVSY CC ATOM FSLGLRQDWVSVTDKNRSTGSKADDDWEKFTGRIGALYLFDNGLAPYVSY CC ************************************************** CC SEQRES SESFNPNAYSDASGTPLAPTEGKQWELGLKFQAPGSNSFYTASLFHITQE CC ATOM SESFNPNAYSDASGTPLAPTEGKQWELGLKFQAPGSNSFYTASLFHITQE CC ************************************************** CC SEQRES NVASKEPQDNFYTSVGEVRSQGLELEAHTQLSDNLKLLGSYTYTDITYTK CC ATOM NVASKEPQDNFYTSVGEVRSQGLELEAHTQLSDNLKLLGSYTYTDITYTK CC ************************************************** CC SEQRES SLDGNQGHTPNQAPKHMASLWADYAFDAGPLSGLSIGGGARYVGETWADK CC ATOM SLDGNQGHTPNQAPKHMASLWADYAFDAGPLSGLSIGGGARYVGETWADK CC ************************************************** CC SEQRES ENTLRVPDYTLVDARIGYDLGKLGLKGLDVSLNANNLLDKDYVASCYSLD CC ATOM ENTLRVPDYTLVDARIGYDLGKLGLKGLDVSLNANNLLDKDYVASCYSLD CC ************************************************** CC SEQRES FCYFGEKRNVTATVNYQF CC ATOM FCYFGEKRNVTATVNYQF CC ****************** SQ SEQUENCE 768 AA; MW; CN; EQARPYAIPA GQLGDVLNRF AREAGITLSA TPAQTGGYSS QGLRGSFTVQ QGLARLLADT PLEAEDQGDG SFVLREAPAK DGDVLNMQAV EVFALGNNLG STDGYLATHS QIATKTSKPL LETSQTVSVI TREQIDDTAS KTVQQAMRYT PGIFTGQVGA SNRYDYVVMR GFADNSVDNI YLDGLKAMGD SGTFSSMQVD PYFLERIDVL KGPSSVLYGR SLPGGLVALT SKKPLYEDYR QITGSIGNMG QKEMGFDFSG PLDEEKRIAY RLIGLGKGSD TQFDHVKEER YAIAPTLAID FSDDTTLTLQ GYLQHDPNGG YHGGVPADGT LSHHNGRHIS REFFDGEPSK DDFDRTQRMF GYQLEHRIDD VWSARQNFRY LDSDVDLSQV YAYGWSASEP NKLNRYFSGA REHLQAYIVD NMLQAEFATG AARHTLLTGL DYQRRRTVVD WRSGSASALD AFNPVYGDDA ISYFPDDNHT RRLEQTGVYL QDLIDIDQWR FSLGLRQDWV SVTDKNRSTG SKADDDWEKF TGRIGALYLF DNGLAPYVSY SESFNPNAYS DASGTPLAPT EGKQWELGLK FQAPGSNSFY TASLFHITQE NVASKEPQDN FYTSVGEVRS QGLELEAHTQ LSDNLKLLGS YTYTDITYTK SLDGNQGHTP NQAPKHMASL WADYAFDAGP LSGLSIGGGA RYVGETWADK ENTLRVPDYT LVDARIGYDL GKLGLKGLDV SLNANNLLDK DYVASCYSLD FCYFGEKRNV TATVNYQF // ID 6I97B STANDARD; PRT; 768 AA. DT CONVERTED FROM PDB (SEQRES) 6I97 DE TonB-dependent receptor OS Pseudomonas aeruginosa CC EXPDTA X-RAY DIFFRACTION CC RESOLU 3.350 CC R-Factor 0.231 FT #SUB 1 53 GLU B 430 482 GLY A Protein S 2 FT #SUB 2 54 GLN B 433 485 ARG A Protein S 4 FT #SUB 2 54 GLN B 495 547 ASP A Protein S 1 FT #SUB 5 57 PRO B 541 593 ASP A Protein S 4 FT #SUB 7 59 ALA B 584 636 PRO A Protein S 1 FT #SUB 18 70 ASN B 95 147 LEU A Protein S 3 FT #SUB 18 70 ASN B 96 148 GLY A Protein S 2 FT #SUB 21 73 ALA B 95 147 LEU A Protein S 3 FT #SUB 22 74 ARG B 96 148 GLY A Protein A 5 FT #SUB 22 74 ARG B 97 149 ASN A Protein S 3 FT #SUB 23 75 GLU B 585 637 GLY A Protein S 1 FT #SUB 26 78 ILE B 95 147 LEU A Protein B 1 FT #SUB 26 78 ILE B 96 148 GLY A Protein B 1 FT #SUB 27 79 THR B 95 147 LEU A Protein A 3 FT #SUB 28 80 LEU B 93 145 PHE A Protein B 1 FT #SUB 28 80 LEU B 94 146 ALA A Protein B 2 FT #SUB 28 80 LEU B 95 147 LEU A Protein B 6 FT #SUB 29 81 SER B 93 145 PHE A Protein B 2 FT #SUB 30 82 ALA B 92 144 VAL A Protein B 2 FT #SUB 30 82 ALA B 93 145 PHE A Protein B 7 FT #SUB 31 83 THR B 90 142 VAL A Protein S 2 FT #SUB 31 83 THR B 91 143 GLU A Protein A 4 FT #SUB 31 83 THR B 92 144 VAL A Protein S 2 FT #SUB 32 84 PRO B 91 143 GLU A Protein S 1 FT #SUB 90 142 VAL B 31 83 THR A Protein S 1 FT #SUB 91 143 GLU B 30 82 ALA A Protein B 1 FT #SUB 91 143 GLU B 31 83 THR A Protein B 4 FT #SUB 91 143 GLU B 32 84 PRO A Protein B 2 FT #SUB 92 144 VAL B 30 82 ALA A Protein B 2 FT #SUB 92 144 VAL B 31 83 THR A Protein A 3 FT #SUB 93 145 PHE B 28 80 LEU A Protein B 1 FT #SUB 93 145 PHE B 29 81 SER A Protein B 3 FT #SUB 93 145 PHE B 30 82 ALA A Protein A 6 FT #SUB 93 145 PHE B 32 84 PRO A Protein S 2 FT #SUB 95 147 LEU B 18 70 ASN A Protein A 4 FT #SUB 95 147 LEU B 21 73 ALA A Protein B 2 FT #SUB 95 147 LEU B 27 79 THR A Protein B 4 FT #SUB 95 147 LEU B 28 80 LEU A Protein A 11 FT #SUB 96 148 GLY B 18 70 ASN A Protein B 1 FT #SUB 96 148 GLY B 21 73 ALA A Protein B 2 FT #SUB 96 148 GLY B 26 78 ILE A Protein B 1 FT #SUB 97 149 ASN B 22 74 ARG A Protein S 1 FT #SUB 122 174 GLU B 4 56 ARG A Protein S 4 FT #SUB 370 422 ASP B 69 121 ASP A Protein S 2 FT #SUB 430 482 GLY B 1 53 GLU A Protein B 1 FT #SUB 431 483 ALA B 1 53 GLU A Protein B 1 FT #SUB 432 484 ALA B 1 53 GLU A Protein B 1 FT #SUB 433 485 ARG B 2 54 GLN A Protein S 2 FT #SUB 495 547 ASP B 2 54 GLN A Protein A 5 FT #SUB 497 549 ASP B 2 54 GLN A Protein B 4 FT #SUB 497 549 ASP B 3 55 ALA A Protein B 2 FT #SUB 498 550 GLN B 3 55 ALA A Protein S 2 FT #SUB 498 550 GLN B 46 98 SER A Protein S 3 FT #SUB 500 552 ARG B 3 55 ALA A Protein S 1 FT #SUB 540 592 PHE B 5 57 PRO A Protein B 1 FT #SUB 541 593 ASP B 5 57 PRO A Protein B 5 FT #SUB 541 593 ASP B 46 98 SER A Protein S 3 FT #SUB 584 636 PRO B 6 58 TYR A Protein S 1 FT #SUB 584 636 PRO B 7 59 ALA A Protein A 3 FT #SUB 679 731 GLY B 679 731 GLY A Protein B 3 FT #SUB 679 731 GLY B 680 732 PRO A Protein B 3 FT #SUB 680 732 PRO B 680 732 PRO A Protein B 5 FT #SUB 680 732 PRO B 718 770 TYR A Protein S 1 FT #SUB 680 732 PRO B 723 775 LEU A Protein S 2 FT #SUB 722 774 LYS B 680 732 PRO A Protein B 1 FT #SUB 18 70 ASN B 89 339 GLU D Protein S 1 FT #SUB 22 74 ARG B 89 339 GLU D Protein S 1 FT #SUB 27 79 THR B 19 269 GLN D Protein S 4 FT #SUB 29 81 SER B 13 263 VAL D Protein S 1 FT #SUB 29 81 SER B 14 264 TYR D Protein S 2 FT #SUB 31 83 THR B 11 261 PRO D Protein S 1 FT #SUB 34 86 GLN B 11 261 PRO D Protein S 3 FT #SUB 69 121 ASP B 16 266 ARG D Protein S 4 FT #SUB 71 123 SER B 13 263 VAL D Protein S 1 FT #SUB 73 125 VAL B 13 263 VAL D Protein S 2 FT #SUB 74 126 LEU B 11 261 PRO D Protein B 1 FT #SUB 75 127 ARG B 10 260 ASP D Protein A 7 FT #SUB 75 127 ARG B 63 313 LYS D Protein S 3 FT #SUB 76 128 GLU B 8 258 ARG D Protein S 2 FT #SUB 76 128 GLU B 5 255 LYS E Protein S 2 FT #SUB 78 130 PRO B 2 252 SER E Protein B 1 FT #SUB 78 130 PRO B 3 253 ASP E Protein B 1 FT #SUB 83 135 ASP B 78 328 ARG E Protein B 1 FT #SUB 84 136 VAL B 79 329 GLN E Protein A 4 FT #SUB 85 137 LEU B 78 328 ARG E Protein A 5 FT #SUB 85 137 LEU B 79 329 GLN E Protein A 4 FT #SUB 85 137 LEU B 80 330 ALA E Protein B 3 FT #SUB 85 137 LEU B 81 331 THR E Protein B 3 FT #SUB 86 138 ASN B 81 331 THR E Protein A 5 FT #SUB 87 139 MET B 9 259 MET E Protein S 1 FT #SUB 87 139 MET B 31 281 PHE E Protein S 1 FT #SUB 87 139 MET B 81 331 THR E Protein A 5 FT #SUB 87 139 MET B 82 332 LYS E Protein S 2 FT #SUB 88 140 GLN B 82 332 LYS E Protein B 3 FT #SUB 89 141 ALA B 83 333 MET E Protein A 4 FT #SUB 90 142 VAL B 82 332 LYS E Protein S 1 FT #SUB 90 142 VAL B 83 333 MET E Protein A 2 FT #SUB 90 142 VAL B 84 334 PHE E Protein A 3 FT #SUB 90 142 VAL B 85 335 PHE E Protein B 6 FT #SUB 91 143 GLU B 85 335 PHE E Protein B 2 FT #SUB 91 143 GLU B 87 337 LYS E Protein S 3 FT #SUB 92 144 VAL B 12 262 PRO E Protein S 1 FT #SUB 92 144 VAL B 85 335 PHE E Protein A 5 FT #SUB 92 144 VAL B 86 336 PHE E Protein B 2 FT #SUB 92 144 VAL B 87 337 LYS E Protein B 2 FT #SUB 93 145 PHE B 87 337 LYS E Protein A 4 FT #SUB 94 146 ALA B 14 264 TYR E Protein A 4 FT #SUB 94 146 ALA B 87 337 LYS E Protein B 1 FT #SUB 94 146 ALA B 88 338 ILE E Protein S 1 FT #SUB 94 146 ALA B 89 339 GLU E Protein B 1 FT #SUB 95 147 LEU B 89 339 GLU E Protein S 1 FT #SUB 236 288 TYR B 21 271 ARG E Protein S 16 FT #SUB 264 316 GLU B 49 299 PRO E Protein B 2 FT #SUB 264 316 GLU B 50 300 SER E Protein A 3 FT #SUB 265 317 GLU B 50 300 SER E Protein A 3 FT #SUB 300 352 ASP B 21 271 ARG E Protein S 4 FT #SUB 303 355 ASP B 16 266 ARG E Protein S 3 FT #HET 164 216 TYR B 2 901 0UE B S 2 FT #HET 166 218 TYR B 2 901 0UE B S 7 FT #HET 177 229 VAL B 2 901 0UE B S 4 FT #HET 191 243 SER B 2 901 0UE B B 1 FT #HET 192 244 GLY B 2 901 0UE B B 2 FT #HET 193 245 THR B 2 901 0UE B B 6 FT #HET 194 246 PHE B 2 901 0UE B S 9 FT #HET 322 374 HIS B 2 901 0UE B A 13 FT #HET 323 375 GLY B 2 901 0UE B B 4 FT #HET 391 443 TYR B 2 901 0UE B S 2 FT #HET 605 657 LYS B 2 901 0UE B S 13 FT #HET 607 659 PRO B 2 901 0UE B A 15 FT #HET 610 662 ASN B 2 901 0UE B A 2 FT #HET 747 799 TYR B 2 901 0UE B S 5 FT #HET 751 803 PHE B 2 901 0UE B S 3 FT #HET 753 805 TYR B 2 901 0UE B S 5 FT DISORDER 79 82 FT DISORDER 98 102 CC SEQUENCE 759 AA (ATOM); CC EQARPYAIPA GQLGDVLNRF AREAGITLSA TPAQTGGYSS QGLRGSFTVQ QGLARLLADT CC PLEAEDQGDG SFVLREAPDV LNMQAVEVFA LGNDGYLATH SQIATKTSKP LLETSQTVSV CC ITREQIDDTA SKTVQQAMRY TPGIFTGQVG ASNRYDYVVM RGFADNSVDN IYLDGLKAMG CC DSGTFSSMQV DPYFLERIDV LKGPSSVLYG RSLPGGLVAL TSKKPLYEDY RQITGSIGNM CC GQKEMGFDFS GPLDEEKRIA YRLIGLGKGS DTQFDHVKEE RYAIAPTLAI DFSDDTTLTL CC QGYLQHDPNG GYHGGVPADG TLSHHNGRHI SREFFDGEPS KDDFDRTQRM FGYQLEHRID CC DVWSARQNFR YLDSDVDLSQ VYAYGWSASE PNKLNRYFSG AREHLQAYIV DNMLQAEFAT CC GAARHTLLTG LDYQRRRTVV DWRSGSASAL DAFNPVYGDD AISYFPDDNH TRRLEQTGVY CC LQDLIDIDQW RFSLGLRQDW VSVTDKNRST GSKADDDWEK FTGRIGALYL FDNGLAPYVS CC YSESFNPNAY SDASGTPLAP TEGKQWELGL KFQAPGSNSF YTASLFHITQ ENVASKEPQD CC NFYTSVGEVR SQGLELEAHT QLSDNLKLLG SYTYTDITYT KSLDGNQGHT PNQAPKHMAS CC LWADYAFDAG PLSGLSIGGG ARYVGETWAD KENTLRVPDY TLVDARIGYD LGKLGLKGLD CC VSLNANNLLD KDYVASCYSL DFCYFGEKRN VTATVNYQF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES EQARPYAIPAGQLGDVLNRFAREAGITLSATPAQTGGYSSQGLRGSFTVQ CC ATOM EQARPYAIPAGQLGDVLNRFAREAGITLSATPAQTGGYSSQGLRGSFTVQ CC ************************************************** CC SEQRES QGLARLLADTPLEAEDQGDGSFVLREAPAKDGDVLNMQAVEVFALGNNLG CC ATOM QGLARLLADTPLEAEDQGDGSFVLREAP----DVLNMQAVEVFALGN--- CC **************************** *************** CC SEQRES STDGYLATHSQIATKTSKPLLETSQTVSVITREQIDDTASKTVQQAMRYT CC ATOM --DGYLATHSQIATKTSKPLLETSQTVSVITREQIDDTASKTVQQAMRYT CC ************************************************ CC SEQRES PGIFTGQVGASNRYDYVVMRGFADNSVDNIYLDGLKAMGDSGTFSSMQVD CC ATOM PGIFTGQVGASNRYDYVVMRGFADNSVDNIYLDGLKAMGDSGTFSSMQVD CC ************************************************** CC SEQRES PYFLERIDVLKGPSSVLYGRSLPGGLVALTSKKPLYEDYRQITGSIGNMG CC ATOM PYFLERIDVLKGPSSVLYGRSLPGGLVALTSKKPLYEDYRQITGSIGNMG CC ************************************************** CC SEQRES QKEMGFDFSGPLDEEKRIAYRLIGLGKGSDTQFDHVKEERYAIAPTLAID CC ATOM QKEMGFDFSGPLDEEKRIAYRLIGLGKGSDTQFDHVKEERYAIAPTLAID CC ************************************************** CC SEQRES FSDDTTLTLQGYLQHDPNGGYHGGVPADGTLSHHNGRHISREFFDGEPSK CC ATOM FSDDTTLTLQGYLQHDPNGGYHGGVPADGTLSHHNGRHISREFFDGEPSK CC ************************************************** CC SEQRES DDFDRTQRMFGYQLEHRIDDVWSARQNFRYLDSDVDLSQVYAYGWSASEP CC ATOM DDFDRTQRMFGYQLEHRIDDVWSARQNFRYLDSDVDLSQVYAYGWSASEP CC ************************************************** CC SEQRES NKLNRYFSGAREHLQAYIVDNMLQAEFATGAARHTLLTGLDYQRRRTVVD CC ATOM NKLNRYFSGAREHLQAYIVDNMLQAEFATGAARHTLLTGLDYQRRRTVVD CC ************************************************** CC SEQRES WRSGSASALDAFNPVYGDDAISYFPDDNHTRRLEQTGVYLQDLIDIDQWR CC ATOM WRSGSASALDAFNPVYGDDAISYFPDDNHTRRLEQTGVYLQDLIDIDQWR CC ************************************************** CC SEQRES FSLGLRQDWVSVTDKNRSTGSKADDDWEKFTGRIGALYLFDNGLAPYVSY CC ATOM FSLGLRQDWVSVTDKNRSTGSKADDDWEKFTGRIGALYLFDNGLAPYVSY CC ************************************************** CC SEQRES SESFNPNAYSDASGTPLAPTEGKQWELGLKFQAPGSNSFYTASLFHITQE CC ATOM SESFNPNAYSDASGTPLAPTEGKQWELGLKFQAPGSNSFYTASLFHITQE CC ************************************************** CC SEQRES NVASKEPQDNFYTSVGEVRSQGLELEAHTQLSDNLKLLGSYTYTDITYTK CC ATOM NVASKEPQDNFYTSVGEVRSQGLELEAHTQLSDNLKLLGSYTYTDITYTK CC ************************************************** CC SEQRES SLDGNQGHTPNQAPKHMASLWADYAFDAGPLSGLSIGGGARYVGETWADK CC ATOM SLDGNQGHTPNQAPKHMASLWADYAFDAGPLSGLSIGGGARYVGETWADK CC ************************************************** CC SEQRES ENTLRVPDYTLVDARIGYDLGKLGLKGLDVSLNANNLLDKDYVASCYSLD CC ATOM ENTLRVPDYTLVDARIGYDLGKLGLKGLDVSLNANNLLDKDYVASCYSLD CC ************************************************** CC SEQRES FCYFGEKRNVTATVNYQF CC ATOM FCYFGEKRNVTATVNYQF CC ****************** SQ SEQUENCE 768 AA; MW; CN; EQARPYAIPA GQLGDVLNRF AREAGITLSA TPAQTGGYSS QGLRGSFTVQ QGLARLLADT PLEAEDQGDG SFVLREAPAK DGDVLNMQAV EVFALGNNLG STDGYLATHS QIATKTSKPL LETSQTVSVI TREQIDDTAS KTVQQAMRYT PGIFTGQVGA SNRYDYVVMR GFADNSVDNI YLDGLKAMGD SGTFSSMQVD PYFLERIDVL KGPSSVLYGR SLPGGLVALT SKKPLYEDYR QITGSIGNMG QKEMGFDFSG PLDEEKRIAY RLIGLGKGSD TQFDHVKEER YAIAPTLAID FSDDTTLTLQ GYLQHDPNGG YHGGVPADGT LSHHNGRHIS REFFDGEPSK DDFDRTQRMF GYQLEHRIDD VWSARQNFRY LDSDVDLSQV YAYGWSASEP NKLNRYFSGA REHLQAYIVD NMLQAEFATG AARHTLLTGL DYQRRRTVVD WRSGSASALD AFNPVYGDDA ISYFPDDNHT RRLEQTGVYL QDLIDIDQWR FSLGLRQDWV SVTDKNRSTG SKADDDWEKF TGRIGALYLF DNGLAPYVSY SESFNPNAYS DASGTPLAPT EGKQWELGLK FQAPGSNSFY TASLFHITQE NVASKEPQDN FYTSVGEVRS QGLELEAHTQ LSDNLKLLGS YTYTDITYTK SLDGNQGHTP NQAPKHMASL WADYAFDAGP LSGLSIGGGA RYVGETWADK ENTLRVPDYT LVDARIGYDL GKLGLKGLDV SLNANNLLDK DYVASCYSLD FCYFGEKRNV TATVNYQF // ID 6I97D STANDARD; PRT; 90 AA. DT CONVERTED FROM PDB (SEQRES) 6I97 DE Protein TonB OS Pseudomonas aeruginosa CC EXPDTA X-RAY DIFFRACTION CC RESOLU 3.350 CC R-Factor 0.231 FT #SUB 3 253 ASP D 79 131 ALA A Protein S 1 FT #SUB 4 254 ILE D 87 139 MET A Protein S 1 FT #SUB 5 255 LYS D 76 128 GLU A Protein S 2 FT #SUB 12 262 PRO D 92 144 VAL A Protein B 1 FT #SUB 14 264 TYR D 92 144 VAL A Protein S 2 FT #SUB 14 264 TYR D 94 146 ALA A Protein S 4 FT #SUB 16 266 ARG D 367 419 ARG A Protein S 1 FT #SUB 19 269 GLN D 97 149 ASN A Protein S 2 FT #SUB 21 271 ARG D 236 288 TYR A Protein S 15 FT #SUB 21 271 ARG D 300 352 ASP A Protein S 5 FT #SUB 23 273 ILE D 236 288 TYR A Protein S 2 FT #SUB 31 281 PHE D 87 139 MET A Protein S 1 FT #SUB 33 283 ILE D 87 139 MET A Protein S 1 FT #SUB 49 299 PRO D 264 316 GLU A Protein A 3 FT #SUB 49 299 PRO D 266 318 LYS A Protein S 2 FT #SUB 50 300 SER D 264 316 GLU A Protein A 3 FT #SUB 50 300 SER D 265 317 GLU A Protein B 2 FT #SUB 52 302 MET D 265 317 GLU A Protein S 1 FT #SUB 66 316 PHE D 87 139 MET A Protein S 1 FT #SUB 78 328 ARG D 81 133 ASP A Protein S 1 FT #SUB 78 328 ARG D 83 135 ASP A Protein S 1 FT #SUB 78 328 ARG D 85 137 LEU A Protein S 3 FT #SUB 79 329 GLN D 84 136 VAL A Protein B 3 FT #SUB 79 329 GLN D 85 137 LEU A Protein B 2 FT #SUB 80 330 ALA D 84 136 VAL A Protein B 1 FT #SUB 80 330 ALA D 85 137 LEU A Protein A 3 FT #SUB 81 331 THR D 85 137 LEU A Protein A 5 FT #SUB 81 331 THR D 86 138 ASN A Protein A 6 FT #SUB 81 331 THR D 87 139 MET A Protein B 5 FT #SUB 82 332 LYS D 88 140 GLN A Protein S 3 FT #SUB 83 333 MET D 89 141 ALA A Protein A 4 FT #SUB 83 333 MET D 90 142 VAL A Protein B 3 FT #SUB 84 334 PHE D 90 142 VAL A Protein A 4 FT #SUB 85 335 PHE D 90 142 VAL A Protein A 5 FT #SUB 85 335 PHE D 91 143 GLU A Protein B 2 FT #SUB 85 335 PHE D 92 144 VAL A Protein B 5 FT #SUB 86 336 PHE D 92 144 VAL A Protein A 5 FT #SUB 87 337 LYS D 91 143 GLU A Protein S 2 FT #SUB 87 337 LYS D 92 144 VAL A Protein B 4 FT #SUB 87 337 LYS D 93 145 PHE A Protein A 6 FT #SUB 87 337 LYS D 94 146 ALA A Protein B 1 FT #SUB 88 338 ILE D 97 149 ASN A Protein S 2 FT #SUB 89 339 GLU D 93 145 PHE A Protein S 4 FT #SUB 89 339 GLU D 94 146 ALA A Protein B 1 FT #SUB 89 339 GLU D 95 147 LEU A Protein S 2 FT #SUB 89 339 GLU D 97 149 ASN A Protein B 1 FT #SUB 8 258 ARG D 76 128 GLU B Protein S 2 FT #SUB 10 260 ASP D 75 127 ARG B Protein S 7 FT #SUB 11 261 PRO D 31 83 THR B Protein S 1 FT #SUB 11 261 PRO D 34 86 GLN B Protein S 3 FT #SUB 11 261 PRO D 74 126 LEU B Protein S 1 FT #SUB 13 263 VAL D 29 81 SER B Protein S 1 FT #SUB 13 263 VAL D 71 123 SER B Protein S 1 FT #SUB 13 263 VAL D 73 125 VAL B Protein A 2 FT #SUB 14 264 TYR D 29 81 SER B Protein B 2 FT #SUB 16 266 ARG D 69 121 ASP B Protein S 4 FT #SUB 19 269 GLN D 27 79 THR B Protein S 4 FT #SUB 63 313 LYS D 75 127 ARG B Protein S 3 FT #SUB 89 339 GLU D 18 70 ASN B Protein S 1 FT #SUB 89 339 GLU D 22 74 ARG B Protein B 1 FT #SUB 5 255 LYS D 7 257 LEU E Protein S 6 FT #SUB 5 255 LYS D 8 258 ARG E Protein S 4 FT #SUB 7 257 LEU D 5 255 LYS E Protein A 4 FT #SUB 8 258 ARG D 5 255 LYS E Protein S 3 FT #SUB 67 317 GLU D 7 257 LEU E Protein S 1 FT #SUB 67 317 GLU D 67 317 GLU E Protein S 6 CC SEQUENCE 90 AA (ATOM); CC DSDIKPLRMD PPVYPRMAQA RGIEGRVKVL FTITSDGRID DIQVLESVPS RMFDREVRQA CC MAKWRFEPRV SGGKIVARQA TKMFFFKIEK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DSDIKPLRMDPPVYPRMAQARGIEGRVKVLFTITSDGRIDDIQVLESVPS CC ATOM DSDIKPLRMDPPVYPRMAQARGIEGRVKVLFTITSDGRIDDIQVLESVPS CC ************************************************** CC SEQRES RMFDREVRQAMAKWRFEPRVSGGKIVARQATKMFFFKIEK CC ATOM RMFDREVRQAMAKWRFEPRVSGGKIVARQATKMFFFKIEK CC **************************************** SQ SEQUENCE 90 AA; MW; CN; DSDIKPLRMD PPVYPRMAQA RGIEGRVKVL FTITSDGRID DIQVLESVPS RMFDREVRQA MAKWRFEPRV SGGKIVARQA TKMFFFKIEK // ID 6I97E STANDARD; PRT; 90 AA. DT CONVERTED FROM PDB (SEQRES) 6I97 DE Protein TonB OS Pseudomonas aeruginosa CC EXPDTA X-RAY DIFFRACTION CC RESOLU 3.350 CC R-Factor 0.231 FT #SUB 8 258 ARG E 76 128 GLU A Protein S 1 FT #SUB 8 258 ARG E 78 130 PRO A Protein S 1 FT #SUB 10 260 ASP E 75 127 ARG A Protein S 6 FT #SUB 10 260 ASP E 76 128 GLU A Protein S 4 FT #SUB 11 261 PRO E 34 86 GLN A Protein S 5 FT #SUB 11 261 PRO E 74 126 LEU A Protein S 2 FT #SUB 13 263 VAL E 29 81 SER A Protein A 3 FT #SUB 13 263 VAL E 67 119 GLN A Protein S 3 FT #SUB 13 263 VAL E 73 125 VAL A Protein S 2 FT #SUB 14 264 TYR E 29 81 SER A Protein A 4 FT #SUB 89 339 GLU E 18 70 ASN A Protein S 3 FT #SUB 90 340 LYS E 18 70 ASN A Protein S 1 FT #SUB 90 340 LYS E 22 74 ARG A Protein S 5 FT #SUB 2 252 SER E 78 130 PRO B Protein B 1 FT #SUB 3 253 ASP E 78 130 PRO B Protein S 1 FT #SUB 5 255 LYS E 76 128 GLU B Protein S 2 FT #SUB 9 259 MET E 87 139 MET B Protein S 1 FT #SUB 12 262 PRO E 92 144 VAL B Protein B 1 FT #SUB 14 264 TYR E 94 146 ALA B Protein S 4 FT #SUB 16 266 ARG E 303 355 ASP B Protein S 3 FT #SUB 21 271 ARG E 236 288 TYR B Protein S 16 FT #SUB 21 271 ARG E 300 352 ASP B Protein S 4 FT #SUB 31 281 PHE E 87 139 MET B Protein S 1 FT #SUB 49 299 PRO E 264 316 GLU B Protein A 2 FT #SUB 50 300 SER E 264 316 GLU B Protein A 3 FT #SUB 50 300 SER E 265 317 GLU B Protein B 3 FT #SUB 78 328 ARG E 83 135 ASP B Protein S 1 FT #SUB 78 328 ARG E 85 137 LEU B Protein S 5 FT #SUB 79 329 GLN E 84 136 VAL B Protein A 4 FT #SUB 79 329 GLN E 85 137 LEU B Protein B 4 FT #SUB 80 330 ALA E 85 137 LEU B Protein A 3 FT #SUB 81 331 THR E 85 137 LEU B Protein B 3 FT #SUB 81 331 THR E 86 138 ASN B Protein A 5 FT #SUB 81 331 THR E 87 139 MET B Protein B 5 FT #SUB 82 332 LYS E 87 139 MET B Protein S 2 FT #SUB 82 332 LYS E 88 140 GLN B Protein S 3 FT #SUB 82 332 LYS E 90 142 VAL B Protein S 1 FT #SUB 83 333 MET E 89 141 ALA B Protein A 4 FT #SUB 83 333 MET E 90 142 VAL B Protein B 2 FT #SUB 84 334 PHE E 90 142 VAL B Protein A 3 FT #SUB 85 335 PHE E 90 142 VAL B Protein A 6 FT #SUB 85 335 PHE E 91 143 GLU B Protein B 2 FT #SUB 85 335 PHE E 92 144 VAL B Protein B 5 FT #SUB 86 336 PHE E 92 144 VAL B Protein B 2 FT #SUB 87 337 LYS E 91 143 GLU B Protein S 3 FT #SUB 87 337 LYS E 92 144 VAL B Protein B 2 FT #SUB 87 337 LYS E 93 145 PHE B Protein A 4 FT #SUB 87 337 LYS E 94 146 ALA B Protein B 1 FT #SUB 88 338 ILE E 94 146 ALA B Protein S 1 FT #SUB 89 339 GLU E 94 146 ALA B Protein B 1 FT #SUB 89 339 GLU E 95 147 LEU B Protein S 1 FT #SUB 5 255 LYS E 7 257 LEU D Protein S 4 FT #SUB 5 255 LYS E 8 258 ARG D Protein S 3 FT #SUB 7 257 LEU E 5 255 LYS D Protein A 6 FT #SUB 7 257 LEU E 67 317 GLU D Protein S 1 FT #SUB 8 258 ARG E 5 255 LYS D Protein S 4 FT #SUB 67 317 GLU E 67 317 GLU D Protein S 6 CC SEQUENCE 90 AA (ATOM); CC DSDIKPLRMD PPVYPRMAQA RGIEGRVKVL FTITSDGRID DIQVLESVPS RMFDREVRQA CC MAKWRFEPRV SGGKIVARQA TKMFFFKIEK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DSDIKPLRMDPPVYPRMAQARGIEGRVKVLFTITSDGRIDDIQVLESVPS CC ATOM DSDIKPLRMDPPVYPRMAQARGIEGRVKVLFTITSDGRIDDIQVLESVPS CC ************************************************** CC SEQRES RMFDREVRQAMAKWRFEPRVSGGKIVARQATKMFFFKIEK CC ATOM RMFDREVRQAMAKWRFEPRVSGGKIVARQATKMFFFKIEK CC **************************************** SQ SEQUENCE 90 AA; MW; CN; DSDIKPLRMD PPVYPRMAQA RGIEGRVKVL FTITSDGRID DIQVLESVPS RMFDREVRQA MAKWRFEPRV SGGKIVARQA TKMFFFKIEK //