ID 3HUMA STANDARD; PRT; 453 AA. DT CONVERTED FROM PDB (SEQRES) 3HUM DE Penicillin-binding protein 4 OS Staphylococcus aureus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.206 FT #SUB 249 227 LYS A 254 232 THR B Protein B 3 FT #SUB 250 228 GLN A 253 231 PRO B Protein S 2 FT #SUB 250 228 GLN A 254 232 THR B Protein A 14 FT #SUB 251 229 LEU A 254 232 THR B Protein A 3 FT #SUB 251 229 LEU A 259 237 THR B Protein S 3 FT #SUB 251 229 LEU A 261 239 TYR B Protein S 1 FT #SUB 252 230 ALA A 252 230 ALA B Protein B 3 FT #SUB 253 231 PRO A 250 228 GLN B Protein B 2 FT #SUB 254 232 THR A 249 227 LYS B Protein S 3 FT #SUB 254 232 THR A 250 228 GLN B Protein A 11 FT #SUB 254 232 THR A 251 229 LEU B Protein S 3 FT #SUB 257 235 ALA A 268 246 GLU B Protein B 1 FT #SUB 259 237 THR A 251 229 LEU B Protein S 3 FT #SUB 261 239 TYR A 251 229 LEU B Protein S 1 FT #SUB 268 246 GLU A 257 235 ALA B Protein S 1 FT #HET 97 75 SER A 1 501 CEW A A 9 FT #HET 138 116 SER A 1 501 CEW A A 11 FT #HET 161 139 SER A 1 501 CEW A S 3 FT #HET 263 241 PHE A 1 501 CEW A S 9 FT #HET 265 243 PHE A 1 501 CEW A S 2 FT #HET 282 260 THR A 1 501 CEW A S 2 FT #HET 283 261 GLY A 1 501 CEW A B 6 FT #HET 284 262 SER A 1 501 CEW A A 19 FT #HET 319 297 GLU A 1 501 CEW A S 11 FT DISORDER 1 46 FT DISORDER 405 453 CC SEQUENCE 358 AA (ATOM); CC TNSDVTPVQA ANQYGYAGLS AAYEPTSAVN VSQTGQLLYQ YNIDTKWNPA SMTKLMTMYL CC TLEAVNKGQL SLDDTVTMTN KEYIMSTLPE LSNTKLYPGQ VWTIADLLQI TVSNSSNAAA CC LILAKKVSKN TSDFVDLMNN KAKAIGMKNT HFVNPTGAEN SRLRSFAPTK YKDQERTVTT CC ARDYAILDLH VIKETPKILD FTKQLAPTTH AVTYYTFNFS LEGAKMSLPG TDGLKTGSSD CC TANYNHTITT KRGKFRINQV IMGAGDYKNL GGEKQRNMMG NALMERSFDQ YKYVKILSKG CC EQRINGKKYY VENDLYDVLP SDFSKKDYKL VVEDGKVHAD YPREFINKDY GPPTVEVH CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGSSHHHHHHSSGLVPRGSHMAMKNLISIIIILCLTLSIMTPYAQATNSD CC ATOM ----------------------------------------------TNSD CC **** CC SEQRES VTPVQAANQYGYAGLSAAYEPTSAVNVSQTGQLLYQYNIDTKWNPASMTK CC ATOM VTPVQAANQYGYAGLSAAYEPTSAVNVSQTGQLLYQYNIDTKWNPASMTK CC ************************************************** CC SEQRES LMTMYLTLEAVNKGQLSLDDTVTMTNKEYIMSTLPELSNTKLYPGQVWTI CC ATOM LMTMYLTLEAVNKGQLSLDDTVTMTNKEYIMSTLPELSNTKLYPGQVWTI CC ************************************************** CC SEQRES ADLLQITVSNSSNAAALILAKKVSKNTSDFVDLMNNKAKAIGMKNTHFVN CC ATOM ADLLQITVSNSSNAAALILAKKVSKNTSDFVDLMNNKAKAIGMKNTHFVN CC ************************************************** CC SEQRES PTGAENSRLRSFAPTKYKDQERTVTTARDYAILDLHVIKETPKILDFTKQ CC ATOM PTGAENSRLRSFAPTKYKDQERTVTTARDYAILDLHVIKETPKILDFTKQ CC ************************************************** CC SEQRES LAPTTHAVTYYTFNFSLEGAKMSLPGTDGLKTGSSDTANYNHTITTKRGK CC ATOM LAPTTHAVTYYTFNFSLEGAKMSLPGTDGLKTGSSDTANYNHTITTKRGK CC ************************************************** CC SEQRES FRINQVIMGAGDYKNLGGEKQRNMMGNALMERSFDQYKYVKILSKGEQRI CC ATOM FRINQVIMGAGDYKNLGGEKQRNMMGNALMERSFDQYKYVKILSKGEQRI CC ************************************************** CC SEQRES NGKKYYVENDLYDVLPSDFSKKDYKLVVEDGKVHADYPREFINKDYGPPT CC ATOM NGKKYYVENDLYDVLPSDFSKKDYKLVVEDGKVHADYPREFINKDYGPPT CC ************************************************** CC SEQRES VEVHQPIIQKANTVAKSMWEEHPLFTIIGGTCLVAGLALIVHMIINRLFR CC ATOM VEVH---------------------------------------------- CC **** CC SEQRES KRK CC ATOM --- CC SQ SEQUENCE 453 AA; MW; CN; MGSSHHHHHH SSGLVPRGSH MAMKNLISII IILCLTLSIM TPYAQATNSD VTPVQAANQY GYAGLSAAYE PTSAVNVSQT GQLLYQYNID TKWNPASMTK LMTMYLTLEA VNKGQLSLDD TVTMTNKEYI MSTLPELSNT KLYPGQVWTI ADLLQITVSN SSNAAALILA KKVSKNTSDF VDLMNNKAKA IGMKNTHFVN PTGAENSRLR SFAPTKYKDQ ERTVTTARDY AILDLHVIKE TPKILDFTKQ LAPTTHAVTY YTFNFSLEGA KMSLPGTDGL KTGSSDTANY NHTITTKRGK FRINQVIMGA GDYKNLGGEK QRNMMGNALM ERSFDQYKYV KILSKGEQRI NGKKYYVEND LYDVLPSDFS KKDYKLVVED GKVHADYPRE FINKDYGPPT VEVHQPIIQK ANTVAKSMWE EHPLFTIIGG TCLVAGLALI VHMIINRLFR KRK // ID 3HUMB STANDARD; PRT; 453 AA. DT CONVERTED FROM PDB (SEQRES) 3HUM DE Penicillin-binding protein 4 OS Staphylococcus aureus CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.300 CC R-Factor 0.206 FT #SUB 249 227 LYS B 254 232 THR A Protein B 3 FT #SUB 250 228 GLN B 253 231 PRO A Protein S 2 FT #SUB 250 228 GLN B 254 232 THR A Protein A 11 FT #SUB 251 229 LEU B 254 232 THR A Protein A 3 FT #SUB 251 229 LEU B 259 237 THR A Protein S 3 FT #SUB 251 229 LEU B 261 239 TYR A Protein S 1 FT #SUB 252 230 ALA B 252 230 ALA A Protein B 3 FT #SUB 253 231 PRO B 250 228 GLN A Protein B 2 FT #SUB 254 232 THR B 249 227 LYS A Protein S 3 FT #SUB 254 232 THR B 250 228 GLN A Protein A 14 FT #SUB 254 232 THR B 251 229 LEU A Protein S 3 FT #SUB 257 235 ALA B 268 246 GLU A Protein B 1 FT #SUB 259 237 THR B 251 229 LEU A Protein S 3 FT #SUB 261 239 TYR B 251 229 LEU A Protein S 1 FT #SUB 268 246 GLU B 257 235 ALA A Protein S 1 FT #HET 96 74 ALA B 2 501 CEW B S 1 FT #HET 97 75 SER B 2 501 CEW B A 12 FT #HET 138 116 SER B 2 501 CEW B A 9 FT #HET 161 139 SER B 2 501 CEW B S 4 FT #HET 263 241 PHE B 2 501 CEW B S 14 FT #HET 282 260 THR B 2 501 CEW B S 1 FT #HET 283 261 GLY B 2 501 CEW B B 10 FT #HET 284 262 SER B 2 501 CEW B A 22 FT #HET 290 268 TYR B 2 501 CEW B S 2 FT #HET 319 297 GLU B 2 501 CEW B S 5 FT DISORDER 1 46 FT DISORDER 405 453 CC SEQUENCE 358 AA (ATOM); CC TNSDVTPVQA ANQYGYAGLS AAYEPTSAVN VSQTGQLLYQ YNIDTKWNPA SMTKLMTMYL CC TLEAVNKGQL SLDDTVTMTN KEYIMSTLPE LSNTKLYPGQ VWTIADLLQI TVSNSSNAAA CC LILAKKVSKN TSDFVDLMNN KAKAIGMKNT HFVNPTGAEN SRLRSFAPTK YKDQERTVTT CC ARDYAILDLH VIKETPKILD FTKQLAPTTH AVTYYTFNFS LEGAKMSLPG TDGLKTGSSD CC TANYNHTITT KRGKFRINQV IMGAGDYKNL GGEKQRNMMG NALMERSFDQ YKYVKILSKG CC EQRINGKKYY VENDLYDVLP SDFSKKDYKL VVEDGKVHAD YPREFINKDY GPPTVEVH CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGSSHHHHHHSSGLVPRGSHMAMKNLISIIIILCLTLSIMTPYAQATNSD CC ATOM ----------------------------------------------TNSD CC **** CC SEQRES VTPVQAANQYGYAGLSAAYEPTSAVNVSQTGQLLYQYNIDTKWNPASMTK CC ATOM VTPVQAANQYGYAGLSAAYEPTSAVNVSQTGQLLYQYNIDTKWNPASMTK CC ************************************************** CC SEQRES LMTMYLTLEAVNKGQLSLDDTVTMTNKEYIMSTLPELSNTKLYPGQVWTI CC ATOM LMTMYLTLEAVNKGQLSLDDTVTMTNKEYIMSTLPELSNTKLYPGQVWTI CC ************************************************** CC SEQRES ADLLQITVSNSSNAAALILAKKVSKNTSDFVDLMNNKAKAIGMKNTHFVN CC ATOM ADLLQITVSNSSNAAALILAKKVSKNTSDFVDLMNNKAKAIGMKNTHFVN CC ************************************************** CC SEQRES PTGAENSRLRSFAPTKYKDQERTVTTARDYAILDLHVIKETPKILDFTKQ CC ATOM PTGAENSRLRSFAPTKYKDQERTVTTARDYAILDLHVIKETPKILDFTKQ CC ************************************************** CC SEQRES LAPTTHAVTYYTFNFSLEGAKMSLPGTDGLKTGSSDTANYNHTITTKRGK CC ATOM LAPTTHAVTYYTFNFSLEGAKMSLPGTDGLKTGSSDTANYNHTITTKRGK CC ************************************************** CC SEQRES FRINQVIMGAGDYKNLGGEKQRNMMGNALMERSFDQYKYVKILSKGEQRI CC ATOM FRINQVIMGAGDYKNLGGEKQRNMMGNALMERSFDQYKYVKILSKGEQRI CC ************************************************** CC SEQRES NGKKYYVENDLYDVLPSDFSKKDYKLVVEDGKVHADYPREFINKDYGPPT CC ATOM NGKKYYVENDLYDVLPSDFSKKDYKLVVEDGKVHADYPREFINKDYGPPT CC ************************************************** CC SEQRES VEVHQPIIQKANTVAKSMWEEHPLFTIIGGTCLVAGLALIVHMIINRLFR CC ATOM VEVH---------------------------------------------- CC **** CC SEQRES KRK CC ATOM --- CC SQ SEQUENCE 453 AA; MW; CN; MGSSHHHHHH SSGLVPRGSH MAMKNLISII IILCLTLSIM TPYAQATNSD VTPVQAANQY GYAGLSAAYE PTSAVNVSQT GQLLYQYNID TKWNPASMTK LMTMYLTLEA VNKGQLSLDD TVTMTNKEYI MSTLPELSNT KLYPGQVWTI ADLLQITVSN SSNAAALILA KKVSKNTSDF VDLMNNKAKA IGMKNTHFVN PTGAENSRLR SFAPTKYKDQ ERTVTTARDY AILDLHVIKE TPKILDFTKQ LAPTTHAVTY YTFNFSLEGA KMSLPGTDGL KTGSSDTANY NHTITTKRGK FRINQVIMGA GDYKNLGGEK QRNMMGNALM ERSFDQYKYV KILSKGEQRI NGKKYYVEND LYDVLPSDFS KKDYKLVVED GKVHADYPRE FINKDYGPPT VEVHQPIIQK ANTVAKSMWE EHPLFTIIGG TCLVAGLALI VHMIINRLFR KRK //