ID 3CAVA STANDARD; PRT; 326 AA. DT CONVERTED FROM PDB (SEQRES) 3CAV DE 3-oxo-5-beta-steroid 4-dehydrogenase OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.900 CC R-Factor 0.207 FT #SUB 204 204 LYS A 130 130 GLU B Protein S 1 FT #SUB 207 207 LYS A 129 129 ASP B Protein S 7 FT #SUB 297 297 LYS A 107 107 ARG B Protein A 6 FT #SUB 298 298 ASP A 107 107 ARG B Protein S 3 FT #SUB 301 301 ALA A 107 107 ARG B Protein S 3 FT #SUB 301 301 ALA A 108 108 VAL B Protein A 2 FT #SUB 302 302 LEU A 110 110 GLN B Protein S 1 FT #SUB 304 304 LYS A 62 62 HIS B Protein A 6 FT #SUB 305 305 ASN A 34 34 LYS B Protein B 1 FT #HET 6 6 ALA A 5 331 EDO A B 4 FT #HET 7 7 SER A 5 331 EDO A B 2 FT #HET 8 8 HIS A 5 331 EDO A A 8 FT #HET 9 9 ARG A 5 331 EDO A A 3 FT #HET 24 24 GLY A 1 327 NAP A B 5 FT #HET 25 25 THR A 1 327 NAP A B 3 FT #HET 26 26 TYR A 1 327 NAP A A 7 FT #HET 26 26 TYR A 2 328 CI2 A S 5 FT #HET 50 50 ARG A 5 331 EDO A S 1 FT #HET 53 53 ASP A 1 327 NAP A A 5 FT #HET 58 58 TYR A 1 327 NAP A S 7 FT #HET 58 58 TYR A 2 328 CI2 A S 3 FT #HET 95 95 PRO A 4 330 EDO A B 3 FT #HET 96 96 GLU A 4 330 EDO A B 3 FT #HET 98 98 VAL A 4 330 EDO A A 4 FT #HET 99 99 ARG A 4 330 EDO A A 8 FT #HET 100 100 PRO A 4 330 EDO A S 1 FT #HET 120 120 GLU A 2 328 CI2 A S 1 FT #HET 132 132 TYR A 2 328 CI2 A S 1 FT #HET 140 140 TRP A 2 328 CI2 A S 2 FT #HET 146 146 ASN A 3 329 BME A S 2 FT #HET 147 147 LEU A 3 329 BME A B 1 FT #HET 148 148 CYS A 3 329 BME A A 10 FT #HET 153 153 ALA A 4 330 EDO A A 8 FT #HET 156 156 ALA A 4 330 EDO A S 1 FT #HET 169 169 SER A 1 327 NAP A S 2 FT #HET 170 170 ASN A 1 327 NAP A S 2 FT #HET 178 178 LEU A 3 329 BME A B 1 FT #HET 193 193 GLN A 1 327 NAP A S 7 FT #HET 219 219 TYR A 1 327 NAP A A 27 FT #HET 220 220 SER A 1 327 NAP A A 17 FT #HET 221 221 PRO A 1 327 NAP A A 6 FT #HET 222 222 LEU A 1 327 NAP A A 9 FT #HET 223 223 GLY A 1 327 NAP A B 1 FT #HET 224 224 THR A 1 327 NAP A B 10 FT #HET 224 224 THR A 6 332 EDO A B 1 FT #HET 225 225 SER A 1 327 NAP A A 4 FT #HET 225 225 SER A 6 332 EDO A B 1 FT #HET 226 226 ARG A 6 332 EDO A S 1 FT #HET 230 230 TRP A 2 328 CI2 A S 3 FT #HET 239 239 LEU A 1 327 NAP A S 3 FT #HET 239 239 LEU A 6 332 EDO A S 2 FT #HET 256 256 ALA A 1 327 NAP A S 1 FT #HET 271 271 ILE A 1 327 NAP A A 6 FT #HET 272 272 PRO A 1 327 NAP A B 2 FT #HET 273 273 LYS A 1 327 NAP A A 15 FT #HET 274 274 SER A 1 327 NAP A A 9 FT #HET 275 275 PHE A 1 327 NAP A B 1 FT #HET 276 276 ASN A 1 327 NAP A S 1 FT #HET 279 279 ARG A 1 327 NAP A S 16 FT #HET 282 282 GLU A 1 327 NAP A S 2 FT #HET 283 283 ASN A 1 327 NAP A S 7 FT #HET 309 309 VAL A 2 328 CI2 A S 1 FT #HET 311 311 LEU A 2 328 CI2 A S 2 FT #HET 313 313 MET A 2 328 CI2 A S 4 FT #HET 314 314 TRP A 2 328 CI2 A S 2 FT DISORDER 1 1 CC SEQUENCE 325 AA (ATOM); CC DLSAASHRIP LSDGNSIPII GLGTYSEPKS TPKGACATSV KVAIDTGYRH IDGAYIYQNE CC HEVGEAIREK IAEGKVRRED IFYCGKLWAT NHVPEMVRPT LERTLRVLQL DYVDLYIIEV CC PMAFKPGDEI YPRDENGKWL YHKSNLCATW EAMEACKDAG LVKSLGVSNF NRRQLELILN CC KPGLKHKPVS NQVECHPYFT QPKLLKFCQQ HDIVITAYSP LGTSRNPIWV NVSSPPLLKD CC ALLNSLGKRY NKTAAQIVLR FNIQRGVVVI PKSFNLERIK ENFQIFDFSL TEEEMKDIEA CC LNKNVRFVEL LMWRDHPEYP FHDEY CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDLSAASHRIPLSDGNSIPIIGLGTYSEPKSTPKGACATSVKVAIDTGYR CC ATOM -DLSAASHRIPLSDGNSIPIIGLGTYSEPKSTPKGACATSVKVAIDTGYR CC ************************************************* CC SEQRES HIDGAYIYQNEHEVGEAIREKIAEGKVRREDIFYCGKLWATNHVPEMVRP CC ATOM HIDGAYIYQNEHEVGEAIREKIAEGKVRREDIFYCGKLWATNHVPEMVRP CC ************************************************** CC SEQRES TLERTLRVLQLDYVDLYIIEVPMAFKPGDEIYPRDENGKWLYHKSNLCAT CC ATOM TLERTLRVLQLDYVDLYIIEVPMAFKPGDEIYPRDENGKWLYHKSNLCAT CC ************************************************** CC SEQRES WEAMEACKDAGLVKSLGVSNFNRRQLELILNKPGLKHKPVSNQVECHPYF CC ATOM WEAMEACKDAGLVKSLGVSNFNRRQLELILNKPGLKHKPVSNQVECHPYF CC ************************************************** CC SEQRES TQPKLLKFCQQHDIVITAYSPLGTSRNPIWVNVSSPPLLKDALLNSLGKR CC ATOM TQPKLLKFCQQHDIVITAYSPLGTSRNPIWVNVSSPPLLKDALLNSLGKR CC ************************************************** CC SEQRES YNKTAAQIVLRFNIQRGVVVIPKSFNLERIKENFQIFDFSLTEEEMKDIE CC ATOM YNKTAAQIVLRFNIQRGVVVIPKSFNLERIKENFQIFDFSLTEEEMKDIE CC ************************************************** CC SEQRES ALNKNVRFVELLMWRDHPEYPFHDEY CC ATOM ALNKNVRFVELLMWRDHPEYPFHDEY CC ************************** SQ SEQUENCE 326 AA; MW; CN; MDLSAASHRI PLSDGNSIPI IGLGTYSEPK STPKGACATS VKVAIDTGYR HIDGAYIYQN EHEVGEAIRE KIAEGKVRRE DIFYCGKLWA TNHVPEMVRP TLERTLRVLQ LDYVDLYIIE VPMAFKPGDE IYPRDENGKW LYHKSNLCAT WEAMEACKDA GLVKSLGVSN FNRRQLELIL NKPGLKHKPV SNQVECHPYF TQPKLLKFCQ QHDIVITAYS PLGTSRNPIW VNVSSPPLLK DALLNSLGKR YNKTAAQIVL RFNIQRGVVV IPKSFNLERI KENFQIFDFS LTEEEMKDIE ALNKNVRFVE LLMWRDHPEY PFHDEY // ID 3CAVB STANDARD; PRT; 326 AA. DT CONVERTED FROM PDB (SEQRES) 3CAV DE 3-oxo-5-beta-steroid 4-dehydrogenase OS Homo sapiens CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.900 CC R-Factor 0.207 FT #SUB 34 34 LYS B 305 305 ASN A Protein S 1 FT #SUB 62 62 HIS B 304 304 LYS A Protein S 6 FT #SUB 107 107 ARG B 297 297 LYS A Protein S 6 FT #SUB 107 107 ARG B 298 298 ASP A Protein S 3 FT #SUB 107 107 ARG B 301 301 ALA A Protein A 3 FT #SUB 108 108 VAL B 301 301 ALA A Protein B 2 FT #SUB 110 110 GLN B 302 302 LEU A Protein S 1 FT #SUB 129 129 ASP B 207 207 LYS A Protein S 7 FT #SUB 130 130 GLU B 204 204 LYS A Protein S 1 FT #HET 6 6 ALA B 10 330 EDO B B 3 FT #HET 7 7 SER B 10 330 EDO B B 2 FT #HET 8 8 HIS B 10 330 EDO B A 9 FT #HET 9 9 ARG B 10 330 EDO B A 4 FT #HET 24 24 GLY B 7 327 NAP B B 5 FT #HET 25 25 THR B 7 327 NAP B B 3 FT #HET 26 26 TYR B 7 327 NAP B A 4 FT #HET 26 26 TYR B 8 328 CI2 B S 2 FT #HET 50 50 ARG B 10 330 EDO B S 3 FT #HET 53 53 ASP B 7 327 NAP B A 5 FT #HET 58 58 TYR B 7 327 NAP B S 6 FT #HET 58 58 TYR B 8 328 CI2 B S 2 FT #HET 87 87 LYS B 7 327 NAP B S 1 FT #HET 132 132 TYR B 8 328 CI2 B S 7 FT #HET 148 148 CYS B 9 329 BME B S 4 FT #HET 152 152 GLU B 11 331 EDO B B 4 FT #HET 155 155 GLU B 11 331 EDO B S 6 FT #HET 156 156 ALA B 11 331 EDO B A 5 FT #HET 159 159 ASP B 11 331 EDO B S 1 FT #HET 169 169 SER B 7 327 NAP B S 2 FT #HET 170 170 ASN B 7 327 NAP B S 2 FT #HET 178 178 LEU B 9 329 BME B B 1 FT #HET 182 182 LYS B 9 329 BME B A 3 FT #HET 183 183 PRO B 9 329 BME B S 1 FT #HET 186 186 LYS B 11 331 EDO B S 2 FT #HET 193 193 GLN B 7 327 NAP B S 5 FT #HET 219 219 TYR B 7 327 NAP B A 27 FT #HET 220 220 SER B 7 327 NAP B A 18 FT #HET 221 221 PRO B 7 327 NAP B A 5 FT #HET 222 222 LEU B 7 327 NAP B A 8 FT #HET 223 223 GLY B 7 327 NAP B B 1 FT #HET 224 224 THR B 7 327 NAP B B 8 FT #HET 225 225 SER B 7 327 NAP B A 2 FT #HET 230 230 TRP B 8 328 CI2 B S 11 FT #HET 239 239 LEU B 7 327 NAP B S 3 FT #HET 256 256 ALA B 7 327 NAP B S 2 FT #HET 271 271 ILE B 7 327 NAP B A 5 FT #HET 272 272 PRO B 7 327 NAP B B 2 FT #HET 273 273 LYS B 7 327 NAP B A 14 FT #HET 274 274 SER B 7 327 NAP B A 9 FT #HET 275 275 PHE B 7 327 NAP B B 1 FT #HET 276 276 ASN B 7 327 NAP B S 1 FT #HET 279 279 ARG B 7 327 NAP B S 11 FT #HET 282 282 GLU B 7 327 NAP B S 3 FT #HET 283 283 ASN B 7 327 NAP B S 6 FT #HET 314 314 TRP B 8 328 CI2 B S 1 FT DISORDER 1 1 CC SEQUENCE 325 AA (ATOM); CC DLSAASHRIP LSDGNSIPII GLGTYSEPKS TPKGACATSV KVAIDTGYRH IDGAYIYQNE CC HEVGEAIREK IAEGKVRRED IFYCGKLWAT NHVPEMVRPT LERTLRVLQL DYVDLYIIEV CC PMAFKPGDEI YPRDENGKWL YHKSNLCATW EAMEACKDAG LVKSLGVSNF NRRQLELILN CC KPGLKHKPVS NQVECHPYFT QPKLLKFCQQ HDIVITAYSP LGTSRNPIWV NVSSPPLLKD CC ALLNSLGKRY NKTAAQIVLR FNIQRGVVVI PKSFNLERIK ENFQIFDFSL TEEEMKDIEA CC LNKNVRFVEL LMWRDHPEYP FHDEY CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MDLSAASHRIPLSDGNSIPIIGLGTYSEPKSTPKGACATSVKVAIDTGYR CC ATOM -DLSAASHRIPLSDGNSIPIIGLGTYSEPKSTPKGACATSVKVAIDTGYR CC ************************************************* CC SEQRES HIDGAYIYQNEHEVGEAIREKIAEGKVRREDIFYCGKLWATNHVPEMVRP CC ATOM HIDGAYIYQNEHEVGEAIREKIAEGKVRREDIFYCGKLWATNHVPEMVRP CC ************************************************** CC SEQRES TLERTLRVLQLDYVDLYIIEVPMAFKPGDEIYPRDENGKWLYHKSNLCAT CC ATOM TLERTLRVLQLDYVDLYIIEVPMAFKPGDEIYPRDENGKWLYHKSNLCAT CC ************************************************** CC SEQRES WEAMEACKDAGLVKSLGVSNFNRRQLELILNKPGLKHKPVSNQVECHPYF CC ATOM WEAMEACKDAGLVKSLGVSNFNRRQLELILNKPGLKHKPVSNQVECHPYF CC ************************************************** CC SEQRES TQPKLLKFCQQHDIVITAYSPLGTSRNPIWVNVSSPPLLKDALLNSLGKR CC ATOM TQPKLLKFCQQHDIVITAYSPLGTSRNPIWVNVSSPPLLKDALLNSLGKR CC ************************************************** CC SEQRES YNKTAAQIVLRFNIQRGVVVIPKSFNLERIKENFQIFDFSLTEEEMKDIE CC ATOM YNKTAAQIVLRFNIQRGVVVIPKSFNLERIKENFQIFDFSLTEEEMKDIE CC ************************************************** CC SEQRES ALNKNVRFVELLMWRDHPEYPFHDEY CC ATOM ALNKNVRFVELLMWRDHPEYPFHDEY CC ************************** SQ SEQUENCE 326 AA; MW; CN; MDLSAASHRI PLSDGNSIPI IGLGTYSEPK STPKGACATS VKVAIDTGYR HIDGAYIYQN EHEVGEAIRE KIAEGKVRRE DIFYCGKLWA TNHVPEMVRP TLERTLRVLQ LDYVDLYIIE VPMAFKPGDE IYPRDENGKW LYHKSNLCAT WEAMEACKDA GLVKSLGVSN FNRRQLELIL NKPGLKHKPV SNQVECHPYF TQPKLLKFCQ QHDIVITAYS PLGTSRNPIW VNVSSPPLLK DALLNSLGKR YNKTAAQIVL RFNIQRGVVV IPKSFNLERI KENFQIFDFS LTEEEMKDIE ALNKNVRFVE LLMWRDHPEY PFHDEY //