ID 2XD1A STANDARD; PRT; 494 AA. DT CONVERTED FROM PDB (SEQRES) 2XD1 DE PENICILLIN-BINDING PROTEIN 1B OS STREPTOCOCCUS PNEUMONIAE CC EXPDTA X-RAY DIFFRACTION CC RESOLU 3.000 CC R-Factor 0.170 FT #SUB 115 412 LEU A 344 641 PRO B Protein S 2 FT #SUB 330 627 ARG A 393 690 TYR B Protein S 1 FT #SUB 334 631 THR A 330 627 ARG B Protein S 1 FT #SUB 334 631 THR A 337 634 SER B Protein S 2 FT #SUB 337 634 SER A 334 631 THR B Protein S 5 FT #SUB 337 634 SER A 337 634 SER B Protein S 1 FT #SUB 337 634 SER A 338 635 ASN B Protein B 1 FT #SUB 338 635 ASN A 337 634 SER B Protein S 1 FT #SUB 338 635 ASN A 341 638 SER B Protein A 7 FT #SUB 341 638 SER A 338 635 ASN B Protein S 8 FT #SUB 341 638 SER A 342 639 LEU B Protein B 1 FT #SUB 341 638 SER A 398 695 ASN B Protein A 4 FT #SUB 341 638 SER A 402 699 HIS B Protein B 2 FT #SUB 342 639 LEU A 341 638 SER B Protein S 1 FT #SUB 393 690 TYR A 330 627 ARG B Protein S 1 FT #SUB 398 695 ASN A 340 637 THR B Protein S 1 FT #SUB 398 695 ASN A 341 638 SER B Protein S 4 FT #SUB 402 699 HIS A 341 638 SER B Protein S 1 FT #HET 155 452 PHE A 2 1790 SO4 A B 1 FT #HET 162 459 ALA A 1 1460 CEF A A 4 FT #HET 163 460 SER A 1 1460 CEF A A 15 FT #HET 219 516 SER A 1 1460 CEF A A 2 FT #HET 221 518 ASN A 1 1460 CEF A S 5 FT #HET 259 556 MET A 1 1460 CEF A B 2 FT #HET 266 563 THR A 2 1790 SO4 A S 5 FT #HET 269 566 GLN A 2 1790 SO4 A S 4 FT #HET 286 583 LYS A 2 1790 SO4 A S 5 FT #HET 332 629 THR A 1 1460 CEF A S 1 FT #HET 354 651 LYS A 1 1460 CEF A S 1 FT #HET 355 652 THR A 1 1460 CEF A A 9 FT #HET 356 653 GLY A 1 1460 CEF A B 7 FT #HET 357 654 THR A 1 1460 CEF A A 21 FT #HET 358 655 THR A 1 1460 CEF A A 9 FT #HET 359 656 ASN A 1 1460 CEF A A 8 FT DISORDER 1 3 FT DISORDER 20 39 FT DISORDER 493 494 CC SEQUENCE 469 AA (ATOM); CC SISEITYSDG TVIASIDYLY FTTLAEAQER MYDYLAQRDN VSAKELKNEA TQKFYRDLAA CC KEIENGGYKI TTTIDQKIHS AMQSAVADYG YLLDDGTGRV EVGNVLMDNQ TGAILGFVGG CC RNYQENQNNH AFDTKRSPAS TTKPLLAYGI AIDQGLMGSE TILSNYPTNF ANGNPIMYAN CC SKGTGMMTLG EALNYSWNIP AYWTYRMLRE NGVDVKGYME KMGYEIPEYG IESLPMGGGI CC EVTVAQHTNG YQTLANNGVY HQKHVISKIE AADGRVVYEY QDKPVQVYSK ATATIMQGLL CC REVLSSRVTT TFKSNLTSLN PTLANADWIG KTGTTNQDEN MWLMLSTPRL TLGGWIGHDD CC NHSLSQQAGY SNNSNYMAHL VNAIQQASPS IWGNERFALD PSVVKSEVLK STGQKPGKVS CC VEGKEVEVTG STVTSYWANK SGAPATSYRF AIGGSDADYQ NAWSSIVGS CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DISSISEITYSDGTVIASIESDLLRQDFLPSGTVTGISQDYLYFTTLAEA CC ATOM ---SISEITYSDGTVIASI--------------------DYLYFTTLAEA CC **************** *********** CC SEQRES QERMYDYLAQRDNVSAKELKNEATQKFYRDLAAKEIENGGYKITTTIDQK CC ATOM QERMYDYLAQRDNVSAKELKNEATQKFYRDLAAKEIENGGYKITTTIDQK CC ************************************************** CC SEQRES IHSAMQSAVADYGYLLDDGTGRVEVGNVLMDNQTGAILGFVGGRNYQENQ CC ATOM IHSAMQSAVADYGYLLDDGTGRVEVGNVLMDNQTGAILGFVGGRNYQENQ CC ************************************************** CC SEQRES NNHAFDTKRSPASTTKPLLAYGIAIDQGLMGSETILSNYPTNFANGNPIM CC ATOM NNHAFDTKRSPASTTKPLLAYGIAIDQGLMGSETILSNYPTNFANGNPIM CC ************************************************** CC SEQRES YANSKGTGMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGYMEKMGYEIP CC ATOM YANSKGTGMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGYMEKMGYEIP CC ************************************************** CC SEQRES EYGIESLPMGGGIEVTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVV CC ATOM EYGIESLPMGGGIEVTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVV CC ************************************************** CC SEQRES YEYQDKPVQVYSKATATIMQGLLREVLSSRVTTTFKSNLTSLNPTLANAD CC ATOM YEYQDKPVQVYSKATATIMQGLLREVLSSRVTTTFKSNLTSLNPTLANAD CC ************************************************** CC SEQRES WIGKTGTTNQDENMWLMLSTPRLTLGGWIGHDDNHSLSQQAGYSNNSNYM CC ATOM WIGKTGTTNQDENMWLMLSTPRLTLGGWIGHDDNHSLSQQAGYSNNSNYM CC ************************************************** CC SEQRES AHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVE CC ATOM AHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVE CC ************************************************** CC SEQRES VTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGSLP CC ATOM VTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGS-- CC ****************************************** SQ SEQUENCE 494 AA; MW; CN; DISSISEITY SDGTVIASIE SDLLRQDFLP SGTVTGISQD YLYFTTLAEA QERMYDYLAQ RDNVSAKELK NEATQKFYRD LAAKEIENGG YKITTTIDQK IHSAMQSAVA DYGYLLDDGT GRVEVGNVLM DNQTGAILGF VGGRNYQENQ NNHAFDTKRS PASTTKPLLA YGIAIDQGLM GSETILSNYP TNFANGNPIM YANSKGTGMM TLGEALNYSW NIPAYWTYRM LRENGVDVKG YMEKMGYEIP EYGIESLPMG GGIEVTVAQH TNGYQTLANN GVYHQKHVIS KIEAADGRVV YEYQDKPVQV YSKATATIMQ GLLREVLSSR VTTTFKSNLT SLNPTLANAD WIGKTGTTNQ DENMWLMLST PRLTLGGWIG HDDNHSLSQQ AGYSNNSNYM AHLVNAIQQA SPSIWGNERF ALDPSVVKSE VLKSTGQKPG KVSVEGKEVE VTGSTVTSYW ANKSGAPATS YRFAIGGSDA DYQNAWSSIV GSLP // ID 2XD1B STANDARD; PRT; 494 AA. DT CONVERTED FROM PDB (SEQRES) 2XD1 DE PENICILLIN-BINDING PROTEIN 1B OS STREPTOCOCCUS PNEUMONIAE CC EXPDTA X-RAY DIFFRACTION CC RESOLU 3.000 CC R-Factor 0.170 FT #SUB 330 627 ARG B 334 631 THR A Protein S 1 FT #SUB 330 627 ARG B 393 690 TYR A Protein S 1 FT #SUB 334 631 THR B 337 634 SER A Protein S 5 FT #SUB 337 634 SER B 334 631 THR A Protein S 2 FT #SUB 337 634 SER B 337 634 SER A Protein S 1 FT #SUB 337 634 SER B 338 635 ASN A Protein B 1 FT #SUB 338 635 ASN B 337 634 SER A Protein S 1 FT #SUB 338 635 ASN B 341 638 SER A Protein A 8 FT #SUB 340 637 THR B 398 695 ASN A Protein S 1 FT #SUB 341 638 SER B 338 635 ASN A Protein S 7 FT #SUB 341 638 SER B 342 639 LEU A Protein B 1 FT #SUB 341 638 SER B 398 695 ASN A Protein A 4 FT #SUB 341 638 SER B 402 699 HIS A Protein B 1 FT #SUB 342 639 LEU B 341 638 SER A Protein S 1 FT #SUB 344 641 PRO B 115 412 LEU A Protein S 2 FT #SUB 393 690 TYR B 330 627 ARG A Protein S 1 FT #SUB 398 695 ASN B 341 638 SER A Protein S 4 FT #SUB 402 699 HIS B 341 638 SER A Protein S 2 FT #HET 155 452 PHE B 4 1790 SO4 B B 1 FT #HET 162 459 ALA B 3 1460 CEF B A 6 FT #HET 163 460 SER B 3 1460 CEF B A 15 FT #HET 201 498 TYR B 3 1460 CEF B S 1 FT #HET 219 516 SER B 3 1460 CEF B S 2 FT #HET 221 518 ASN B 3 1460 CEF B S 5 FT #HET 259 556 MET B 3 1460 CEF B B 2 FT #HET 260 557 GLY B 3 1460 CEF B B 1 FT #HET 266 563 THR B 4 1790 SO4 B S 7 FT #HET 269 566 GLN B 4 1790 SO4 B S 1 FT #HET 286 583 LYS B 4 1790 SO4 B S 3 FT #HET 332 629 THR B 3 1460 CEF B S 1 FT #HET 354 651 LYS B 3 1460 CEF B S 1 FT #HET 355 652 THR B 3 1460 CEF B A 7 FT #HET 356 653 GLY B 3 1460 CEF B B 5 FT #HET 357 654 THR B 3 1460 CEF B A 17 FT #HET 358 655 THR B 3 1460 CEF B A 11 FT #HET 359 656 ASN B 3 1460 CEF B A 10 FT DISORDER 1 5 FT DISORDER 21 39 FT DISORDER 63 70 FT DISORDER 84 88 FT DISORDER 493 494 CC SEQUENCE 455 AA (ATOM); CC SEITYSDGTV IASIEDYLYF TTLAEAQERM YDYLAQRDNE ATQKFYRDLA AGGYKITTTI CC DQKIHSAMQS AVADYGYLLD DGTGRVEVGN VLMDNQTGAI LGFVGGRNYQ ENQNNHAFDT CC KRSPASTTKP LLAYGIAIDQ GLMGSETILS NYPTNFANGN PIMYANSKGT GMMTLGEALN CC YSWNIPAYWT YRMLRENGVD VKGYMEKMGY EIPEYGIESL PMGGGIEVTV AQHTNGYQTL CC ANNGVYHQKH VISKIEAADG RVVYEYQDKP VQVYSKATAT IMQGLLREVL SSRVTTTFKS CC NLTSLNPTLA NADWIGKTGT TNQDENMWLM LSTPRLTLGG WIGHDDNHSL SQQAGYSNNS CC NYMAHLVNAI QQASPSIWGN ERFALDPSVV KSEVLKSTGQ KPGKVSVEGK EVEVTGSTVT CC SYWANKSGAP ATSYRFAIGG SDADYQNAWS SIVGS CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES DISSISEITYSDGTVIASIESDLLRQDFLPSGTVTGISQDYLYFTTLAEA CC ATOM -----SEITYSDGTVIASIE-------------------DYLYFTTLAEA CC *************** *********** CC SEQRES QERMYDYLAQRDNVSAKELKNEATQKFYRDLAAKEIENGGYKITTTIDQK CC ATOM QERMYDYLAQRD--------NEATQKFYRDLAA-----GGYKITTTIDQK CC ************ ************* ************ CC SEQRES IHSAMQSAVADYGYLLDDGTGRVEVGNVLMDNQTGAILGFVGGRNYQENQ CC ATOM IHSAMQSAVADYGYLLDDGTGRVEVGNVLMDNQTGAILGFVGGRNYQENQ CC ************************************************** CC SEQRES NNHAFDTKRSPASTTKPLLAYGIAIDQGLMGSETILSNYPTNFANGNPIM CC ATOM NNHAFDTKRSPASTTKPLLAYGIAIDQGLMGSETILSNYPTNFANGNPIM CC ************************************************** CC SEQRES YANSKGTGMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGYMEKMGYEIP CC ATOM YANSKGTGMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGYMEKMGYEIP CC ************************************************** CC SEQRES EYGIESLPMGGGIEVTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVV CC ATOM EYGIESLPMGGGIEVTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVV CC ************************************************** CC SEQRES YEYQDKPVQVYSKATATIMQGLLREVLSSRVTTTFKSNLTSLNPTLANAD CC ATOM YEYQDKPVQVYSKATATIMQGLLREVLSSRVTTTFKSNLTSLNPTLANAD CC ************************************************** CC SEQRES WIGKTGTTNQDENMWLMLSTPRLTLGGWIGHDDNHSLSQQAGYSNNSNYM CC ATOM WIGKTGTTNQDENMWLMLSTPRLTLGGWIGHDDNHSLSQQAGYSNNSNYM CC ************************************************** CC SEQRES AHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVE CC ATOM AHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVE CC ************************************************** CC SEQRES VTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGSLP CC ATOM VTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGS-- CC ****************************************** SQ SEQUENCE 494 AA; MW; CN; DISSISEITY SDGTVIASIE SDLLRQDFLP SGTVTGISQD YLYFTTLAEA QERMYDYLAQ RDNVSAKELK NEATQKFYRD LAAKEIENGG YKITTTIDQK IHSAMQSAVA DYGYLLDDGT GRVEVGNVLM DNQTGAILGF VGGRNYQENQ NNHAFDTKRS PASTTKPLLA YGIAIDQGLM GSETILSNYP TNFANGNPIM YANSKGTGMM TLGEALNYSW NIPAYWTYRM LRENGVDVKG YMEKMGYEIP EYGIESLPMG GGIEVTVAQH TNGYQTLANN GVYHQKHVIS KIEAADGRVV YEYQDKPVQV YSKATATIMQ GLLREVLSSR VTTTFKSNLT SLNPTLANAD WIGKTGTTNQ DENMWLMLST PRLTLGGWIG HDDNHSLSQQ AGYSNNSNYM AHLVNAIQQA SPSIWGNERF ALDPSVVKSE VLKSTGQKPG KVSVEGKEVE VTGSTVTSYW ANKSGAPATS YRFAIGGSDA DYQNAWSSIV GSLP //