ID 3CUSA STANDARD; PRT; 264 AA. DT CONVERTED FROM PDB (SEQRES) 3CUS DE Periplasmic [NiFe] hydrogenase small subunit OS Desulfovibrio fructosovorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.187 FT #SUB 5 5 HIS A 175 175 GLN Q Protein A 7 FT #SUB 6 6 ARG A 170 170 PHE Q Protein S 3 FT #SUB 6 6 ARG A 173 173 SER Q Protein S 1 FT #SUB 6 6 ARG A 175 175 GLN Q Protein A 10 FT #SUB 13 13 HIS A 27 27 HIS Q Protein A 5 FT #SUB 14 14 ASN A 27 27 HIS Q Protein B 4 FT #SUB 14 14 ASN A 48 48 LEU Q Protein B 1 FT #SUB 15 15 ALA A 48 48 LEU Q Protein A 2 FT #SUB 16 16 GLU A 25 25 GLU Q Protein B 1 FT #SUB 16 16 GLU A 27 27 HIS Q Protein S 3 FT #SUB 16 16 GLU A 50 50 ARG Q Protein B 1 FT #SUB 16 16 GLU A 545 545 ALA Q Protein B 1 FT #SUB 17 17 CYS A 25 25 GLU Q Protein B 5 FT #SUB 17 17 CYS A 50 50 ARG Q Protein S 1 FT #SUB 17 17 CYS A 70 70 ARG Q Protein S 1 FT #SUB 17 17 CYS A 72 72 CYS Q Protein A 3 FT #SUB 17 17 CYS A 73 73 GLY Q Protein A 6 FT #SUB 17 17 CYS A 74 74 ILE Q Protein B 1 FT #SUB 17 17 CYS A 228 228 HIS Q Protein S 2 FT #SUB 18 18 THR A 25 25 GLU Q Protein A 6 FT #SUB 18 18 THR A 74 74 ILE Q Protein S 2 FT #SUB 19 19 GLY A 73 73 GLY Q Protein B 2 FT #SUB 19 19 GLY A 227 227 PRO Q Protein B 1 FT #SUB 22 22 GLU A 73 73 GLY Q Protein S 2 FT #SUB 22 22 GLU A 74 74 ILE Q Protein S 5 FT #SUB 22 22 GLU A 113 113 HIS Q Protein S 1 FT #SUB 22 22 GLU A 227 227 PRO Q Protein A 2 FT #SUB 23 23 ALA A 227 227 PRO Q Protein B 4 FT #SUB 25 25 ILE A 212 212 GLN Q Protein A 6 FT #SUB 25 25 ILE A 213 213 VAL Q Protein B 1 FT #SUB 26 26 ARG A 113 113 HIS Q Protein S 6 FT #SUB 26 26 ARG A 212 212 GLN Q Protein S 3 FT #SUB 26 26 ARG A 216 216 ALA Q Protein S 2 FT #SUB 26 26 ARG A 226 226 ASN Q Protein S 4 FT #SUB 26 26 ARG A 227 227 PRO Q Protein S 1 FT #SUB 28 28 ILE A 213 213 VAL Q Protein S 1 FT #SUB 31 31 TYR A 210 210 HIS Q Protein S 13 FT #SUB 31 31 TYR A 213 213 VAL Q Protein S 1 FT #SUB 32 32 ILE A 209 209 LEU Q Protein S 1 FT #SUB 33 33 ASP A 209 209 LEU Q Protein S 1 FT #SUB 33 33 ASP A 210 210 HIS Q Protein S 7 FT #SUB 36 36 ILE A 170 170 PHE Q Protein B 1 FT #SUB 37 37 LEU A 170 170 PHE Q Protein S 1 FT #SUB 41 41 SER A 175 175 GLN Q Protein S 3 FT #SUB 42 42 LEU A 177 177 GLY Q Protein B 4 FT #SUB 42 42 LEU A 178 178 ILE Q Protein B 2 FT #SUB 43 43 ASP A 177 177 GLY Q Protein S 1 FT #SUB 44 44 TYR A 20 20 PRO Q Protein S 1 FT #SUB 46 46 GLU A 22 22 THR Q Protein B 4 FT #SUB 46 46 GLU A 23 23 ARG Q Protein B 3 FT #SUB 46 46 GLU A 27 27 HIS Q Protein S 2 FT #SUB 47 47 THR A 23 23 ARG Q Protein B 5 FT #SUB 47 47 THR A 122 122 PHE Q Protein A 4 FT #SUB 48 48 ILE A 23 23 ARG Q Protein B 4 FT #SUB 48 48 ILE A 178 178 ILE Q Protein S 2 FT #SUB 49 49 MET A 22 22 THR Q Protein A 4 FT #SUB 49 49 MET A 23 23 ARG Q Protein B 5 FT #SUB 49 49 MET A 178 178 ILE Q Protein A 4 FT #SUB 50 50 ALA A 23 23 ARG Q Protein B 5 FT #SUB 50 50 ALA A 178 178 ILE Q Protein A 4 FT #SUB 50 50 ALA A 182 182 ALA Q Protein S 1 FT #SUB 51 51 ALA A 22 22 THR Q Protein B 4 FT #SUB 51 51 ALA A 180 180 THR Q Protein S 1 FT #SUB 51 51 ALA A 181 181 ASN Q Protein S 2 FT #SUB 52 52 ALA A 18 18 VAL Q Protein S 1 FT #SUB 52 52 ALA A 20 20 PRO Q Protein A 3 FT #SUB 52 52 ALA A 22 22 THR Q Protein A 3 FT #SUB 52 52 ALA A 183 183 TYR Q Protein A 4 FT #SUB 52 52 ALA A 534 534 LEU Q Protein S 2 FT #SUB 53 53 GLY A 18 18 VAL Q Protein B 2 FT #SUB 53 53 GLY A 19 19 ASP Q Protein B 4 FT #SUB 53 53 GLY A 20 20 PRO Q Protein B 7 FT #SUB 55 55 ALA A 181 181 ASN Q Protein A 4 FT #SUB 55 55 ALA A 183 183 TYR Q Protein S 1 FT #SUB 58 58 ALA A 181 181 ASN Q Protein A 2 FT #SUB 59 59 ALA A 180 180 THR Q Protein S 1 FT #SUB 59 59 ALA A 181 181 ASN Q Protein B 2 FT #SUB 62 62 GLN A 180 180 THR Q Protein S 1 FT #SUB 62 62 GLN A 181 181 ASN Q Protein S 1 FT #SUB 82 82 ASP A 359 359 TYR Q Protein S 1 FT #SUB 85 85 GLN A 359 359 TYR Q Protein A 4 FT #SUB 86 86 TRP A 47 47 GLN Q Protein B 2 FT #SUB 86 86 TRP A 48 48 LEU Q Protein B 3 FT #SUB 86 86 TRP A 49 49 PHE Q Protein A 3 FT #SUB 86 86 TRP A 357 357 PRO Q Protein S 4 FT #SUB 86 86 TRP A 359 359 TYR Q Protein S 1 FT #SUB 86 86 TRP A 370 370 TRP Q Protein A 6 FT #SUB 87 87 GLY A 47 47 GLN Q Protein B 3 FT #SUB 87 87 GLY A 48 48 LEU Q Protein B 1 FT #SUB 88 88 MET A 47 47 GLN Q Protein A 3 FT #SUB 88 88 MET A 359 359 TYR Q Protein S 1 FT #SUB 88 88 MET A 362 362 LEU Q Protein S 1 FT #SUB 89 89 VAL A 20 20 PRO Q Protein S 1 FT #SUB 89 89 VAL A 27 27 HIS Q Protein S 2 FT #SUB 90 90 ALA A 19 19 ASP Q Protein A 8 FT #SUB 91 91 GLY A 19 19 ASP Q Protein B 1 FT #SUB 91 91 GLY A 362 362 LEU Q Protein B 1 FT #SUB 94 94 MET A 27 27 HIS Q Protein S 5 FT #SUB 120 120 VAL A 52 52 LEU Q Protein S 1 FT #SUB 120 120 VAL A 55 55 ILE Q Protein B 1 FT #SUB 121 121 GLN A 50 50 ARG Q Protein S 2 FT #SUB 121 121 GLN A 55 55 ILE Q Protein B 2 FT #SUB 123 123 ALA A 55 55 ILE Q Protein A 3 FT #SUB 123 123 ALA A 59 59 ARG Q Protein S 1 FT #SUB 124 124 LYS A 55 55 ILE Q Protein B 6 FT #SUB 124 124 LYS A 59 59 ARG Q Protein A 6 FT #SUB 125 125 PRO A 54 54 ILE Q Protein S 2 FT #SUB 125 125 PRO A 55 55 ILE Q Protein S 1 FT #SUB 127 127 PRO A 50 50 ARG Q Protein S 1 FT #SUB 127 127 PRO A 54 54 ILE Q Protein S 2 FT #SUB 147 147 CYS A 70 70 ARG Q Protein A 5 FT #SUB 147 147 CYS A 225 225 LYS Q Protein B 1 FT #SUB 147 147 CYS A 228 228 HIS Q Protein B 4 FT #SUB 148 148 PRO A 227 227 PRO Q Protein S 4 FT #SUB 148 148 PRO A 228 228 HIS Q Protein S 1 FT #SUB 202 202 PHE A 233 233 VAL Q Protein S 4 FT #SUB 202 202 PHE A 240 240 TYR Q Protein B 4 FT #SUB 203 203 ASP A 240 240 TYR Q Protein B 2 FT #SUB 203 203 ASP A 457 457 CYS Q Protein A 3 FT #SUB 203 203 ASP A 459 459 LYS Q Protein S 4 FT #SUB 207 207 ALA A 240 240 TYR Q Protein S 1 FT #SUB 208 208 LYS A 240 240 TYR Q Protein A 7 FT #SUB 208 208 LYS A 454 454 ASN Q Protein S 2 FT #SUB 232 232 PHE A 225 225 LYS Q Protein S 5 FT #SUB 233 233 ASN A 216 216 ALA Q Protein S 1 FT #SUB 233 233 ASN A 217 217 SER Q Protein A 7 FT #SUB 233 233 ASN A 220 220 ALA Q Protein S 3 FT #SUB 233 233 ASN A 225 225 LYS Q Protein S 2 FT #SUB 233 233 ASN A 226 226 ASN Q Protein S 10 FT #SUB 235 235 VAL A 217 217 SER Q Protein S 1 FT #SUB 235 235 VAL A 220 220 ALA Q Protein S 1 FT #SUB 236 236 ASN A 220 220 ALA Q Protein S 3 FT #SUB 236 236 ASN A 221 221 ILE Q Protein S 2 FT #SUB 236 236 ASN A 224 224 GLY Q Protein A 9 FT #SUB 237 237 TRP A 224 224 GLY Q Protein B 4 FT #SUB 238 238 PRO A 224 224 GLY Q Protein B 1 FT #SUB 238 238 PRO A 225 225 LYS Q Protein S 3 FT #SUB 238 238 PRO A 230 230 GLN Q Protein S 8 FT #SUB 240 240 GLN A 241 241 GLN Q Protein S 5 FT #SUB 241 241 ALA A 224 224 GLY Q Protein S 1 FT #SUB 241 241 ALA A 230 230 GLN Q Protein S 1 FT #SUB 241 241 ALA A 238 238 SER Q Protein B 5 FT #SUB 241 241 ALA A 239 239 ASN Q Protein B 9 FT #SUB 242 242 GLY A 238 238 SER Q Protein B 5 FT #SUB 243 243 HIS A 66 66 HIS Q Protein S 4 FT #SUB 243 243 HIS A 230 230 GLN Q Protein S 6 FT #SUB 243 243 HIS A 232 232 THR Q Protein S 2 FT #SUB 243 243 HIS A 233 233 VAL Q Protein S 1 FT #SUB 243 243 HIS A 238 238 SER Q Protein A 2 FT #SUB 244 244 PRO A 230 230 GLN Q Protein B 2 FT #SUB 245 245 CYS A 230 230 GLN Q Protein B 1 FT #SUB 246 246 LEU A 66 66 HIS Q Protein S 1 FT #SUB 246 246 LEU A 230 230 GLN Q Protein A 5 FT #SUB 254 254 TRP A 59 59 ARG Q Protein B 1 FT #SUB 254 254 TRP A 66 66 HIS Q Protein S 3 FT #SUB 254 254 TRP A 67 67 PHE Q Protein A 9 FT #SUB 254 254 TRP A 70 70 ARG Q Protein S 5 FT #SUB 255 255 ASP A 59 59 ARG Q Protein S 4 FT #SUB 258 258 THR A 59 59 ARG Q Protein S 1 FT #SUB 258 258 THR A 63 63 ASP Q Protein S 2 FT #SUB 259 259 PRO A 63 63 ASP Q Protein A 4 FT #SUB 260 260 PHE A 63 63 ASP Q Protein A 8 FT #SUB 260 260 PHE A 66 66 HIS Q Protein S 3 FT #SUB 261 261 TYR A 62 62 ARG Q Protein S 3 FT #SUB 261 261 TYR A 65 65 GLN Q Protein S 1 FT #SUB 261 261 TYR A 66 66 HIS Q Protein S 6 FT #SUB 261 261 TYR A 232 232 THR Q Protein S 1 FT #SUB 262 262 GLU A 62 62 ARG Q Protein S 3 FT #SUB 58 58 ALA A 195 195 ALA C Protein S 1 FT #SUB 58 58 ALA A 196 196 SER C Protein S 2 FT #SUB 62 62 GLN A 196 196 SER C Protein S 1 FT #HET 16 16 GLU A 3 267 SF4 A A 2 FT #HET 17 17 CYS A 3 267 SF4 A A 6 FT #HET 19 19 GLY A 3 267 SF4 A B 2 FT #HET 20 20 CYS A 3 267 SF4 A A 7 FT #HET 55 55 ALA A 9 562 GOL Q S 1 FT #HET 112 112 GLY A 3 267 SF4 A B 2 FT #HET 113 113 THR A 3 267 SF4 A B 1 FT #HET 114 114 CYS A 3 267 SF4 A A 5 FT #HET 146 146 GLY A 3 267 SF4 A B 1 FT #HET 147 147 CYS A 3 267 SF4 A A 8 FT #HET 148 148 PRO A 3 267 SF4 A A 3 FT #HET 168 168 ASP A 4 271 GOL A A 6 FT #HET 169 169 LEU A 4 271 GOL A A 11 FT #HET 176 176 LYS A 4 271 GOL A S 4 FT #HET 184 184 HIS A 1 265 SF4 A A 10 FT #HET 187 187 CYS A 1 265 SF4 A S 5 FT #HET 189 189 ARG A 1 265 SF4 A B 2 FT #HET 190 190 LEU A 1 265 SF4 A B 2 FT #HET 193 193 PHE A 1 265 SF4 A S 1 FT #HET 212 212 CYS A 1 265 SF4 A A 6 FT #HET 213 213 LEU A 1 265 SF4 A A 3 FT #HET 214 214 TYR A 1 265 SF4 A S 2 FT #HET 218 218 CYS A 1 265 SF4 A S 5 FT #HET 220 220 GLY A 1 265 SF4 A B 1 FT #HET 221 221 PRO A 1 265 SF4 A S 2 FT #HET 223 223 THR A 2 266 F3S A S 1 FT #HET 225 225 ASN A 2 266 F3S A S 2 FT #HET 227 227 CYS A 2 266 F3S A S 6 FT #HET 232 232 PHE A 2 266 F3S A S 2 FT #HET 237 237 TRP A 2 266 F3S A S 2 FT #HET 238 238 PRO A 2 266 F3S A S 1 FT #HET 239 239 VAL A 1 265 SF4 A S 1 FT #HET 245 245 CYS A 2 266 F3S A A 7 FT #HET 246 246 LEU A 2 266 F3S A A 4 FT #HET 247 247 GLY A 2 266 F3S A B 1 FT #HET 248 248 CYS A 2 266 F3S A A 8 FT DISORDER 1 2 CC Miss-SC 1 CC SEQUENCE 262 AA (ATOM); CC AKHRPSVVWL HNAECTGCTE AAIRTIKPYI DALILDTISL DYQETIMAAA GEAAEAALHQ CC ALEGKDGYYL VVEGGLPTID GGQWGMVAGH PMIETTKKAA AKAKGIICIG TCSAYGGVQK CC AKPNPSQAKG VSEALGVKTI NIPGCPPNPI NFVGAVVHVL TKGIPDLDEN GRPKLFYGEL CC VHDNCPRLPH FEASEFAPSF DSEEAKKGFC LYELGCKGPV TYNNCPKVLF NQVNWPVQAG CC HPCLGCSEPD FWDTMTPFYE QG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES LTAKHRPSVVWLHNAECTGCTEAAIRTIKPYIDALILDTISLDYQETIMA CC ATOM --AKHRPSVVWLHNAECTGCTEAAIRTIKPYIDALILDTISLDYQETIMA CC ************************************************ CC SEQRES AAGEAAEAALHQALEGKDGYYLVVEGGLPTIDGGQWGMVAGHPMIETTKK CC ATOM AAGEAAEAALHQALEGKDGYYLVVEGGLPTIDGGQWGMVAGHPMIETTKK CC ************************************************** CC SEQRES AAAKAKGIICIGTCSAYGGVQKAKPNPSQAKGVSEALGVKTINIPGCPPN CC ATOM AAAKAKGIICIGTCSAYGGVQKAKPNPSQAKGVSEALGVKTINIPGCPPN CC ************************************************** CC SEQRES PINFVGAVVHVLTKGIPDLDENGRPKLFYGELVHDNCPRLPHFEASEFAP CC ATOM PINFVGAVVHVLTKGIPDLDENGRPKLFYGELVHDNCPRLPHFEASEFAP CC ************************************************** CC SEQRES SFDSEEAKKGFCLYELGCKGPVTYNNCPKVLFNQVNWPVQAGHPCLGCSE CC ATOM SFDSEEAKKGFCLYELGCKGPVTYNNCPKVLFNQVNWPVQAGHPCLGCSE CC ************************************************** CC SEQRES PDFWDTMTPFYEQG CC ATOM PDFWDTMTPFYEQG CC ************** SQ SEQUENCE 264 AA; MW; CN; LTAKHRPSVV WLHNAECTGC TEAAIRTIKP YIDALILDTI SLDYQETIMA AAGEAAEAAL HQALEGKDGY YLVVEGGLPT IDGGQWGMVA GHPMIETTKK AAAKAKGIIC IGTCSAYGGV QKAKPNPSQA KGVSEALGVK TINIPGCPPN PINFVGAVVH VLTKGIPDLD ENGRPKLFYG ELVHDNCPRL PHFEASEFAP SFDSEEAKKG FCLYELGCKG PVTYNNCPKV LFNQVNWPVQ AGHPCLGCSE PDFWDTMTPF YEQG // ID 3CUSQ STANDARD; PRT; 549 AA. DT CONVERTED FROM PDB (SEQRES) 3CUS DE Periplasmic [NiFe] hydrogenase large subunit OS Desulfovibrio fructosovorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.187 FT #SUB 18 18 VAL Q 52 52 ALA A Protein S 1 FT #SUB 18 18 VAL Q 53 53 GLY A Protein S 2 FT #SUB 19 19 ASP Q 53 53 GLY A Protein B 4 FT #SUB 19 19 ASP Q 90 90 ALA A Protein A 8 FT #SUB 19 19 ASP Q 91 91 GLY A Protein S 1 FT #SUB 20 20 PRO Q 44 44 TYR A Protein S 1 FT #SUB 20 20 PRO Q 52 52 ALA A Protein B 3 FT #SUB 20 20 PRO Q 53 53 GLY A Protein A 7 FT #SUB 20 20 PRO Q 89 89 VAL A Protein S 1 FT #SUB 22 22 THR Q 46 46 GLU A Protein A 4 FT #SUB 22 22 THR Q 49 49 MET A Protein S 4 FT #SUB 22 22 THR Q 51 51 ALA A Protein S 4 FT #SUB 22 22 THR Q 52 52 ALA A Protein S 3 FT #SUB 23 23 ARG Q 46 46 GLU A Protein B 3 FT #SUB 23 23 ARG Q 47 47 THR A Protein A 5 FT #SUB 23 23 ARG Q 48 48 ILE A Protein S 4 FT #SUB 23 23 ARG Q 49 49 MET A Protein S 5 FT #SUB 23 23 ARG Q 50 50 ALA A Protein S 5 FT #SUB 25 25 GLU Q 16 16 GLU A Protein S 1 FT #SUB 25 25 GLU Q 17 17 CYS A Protein S 5 FT #SUB 25 25 GLU Q 18 18 THR A Protein S 6 FT #SUB 27 27 HIS Q 13 13 HIS A Protein S 5 FT #SUB 27 27 HIS Q 14 14 ASN A Protein S 4 FT #SUB 27 27 HIS Q 16 16 GLU A Protein S 3 FT #SUB 27 27 HIS Q 46 46 GLU A Protein S 2 FT #SUB 27 27 HIS Q 89 89 VAL A Protein S 2 FT #SUB 27 27 HIS Q 94 94 MET A Protein S 5 FT #SUB 47 47 GLN Q 86 86 TRP A Protein B 2 FT #SUB 47 47 GLN Q 87 87 GLY A Protein B 3 FT #SUB 47 47 GLN Q 88 88 MET A Protein A 3 FT #SUB 48 48 LEU Q 14 14 ASN A Protein S 1 FT #SUB 48 48 LEU Q 15 15 ALA A Protein S 2 FT #SUB 48 48 LEU Q 86 86 TRP A Protein A 3 FT #SUB 48 48 LEU Q 87 87 GLY A Protein S 1 FT #SUB 49 49 PHE Q 86 86 TRP A Protein A 3 FT #SUB 50 50 ARG Q 16 16 GLU A Protein S 1 FT #SUB 50 50 ARG Q 17 17 CYS A Protein S 1 FT #SUB 50 50 ARG Q 121 121 GLN A Protein S 2 FT #SUB 50 50 ARG Q 127 127 PRO A Protein B 1 FT #SUB 52 52 LEU Q 120 120 VAL A Protein S 1 FT #SUB 54 54 ILE Q 125 125 PRO A Protein A 2 FT #SUB 54 54 ILE Q 127 127 PRO A Protein S 2 FT #SUB 55 55 ILE Q 120 120 VAL A Protein S 1 FT #SUB 55 55 ILE Q 121 121 GLN A Protein S 2 FT #SUB 55 55 ILE Q 123 123 ALA A Protein S 3 FT #SUB 55 55 ILE Q 124 124 LYS A Protein A 6 FT #SUB 55 55 ILE Q 125 125 PRO A Protein B 1 FT #SUB 59 59 ARG Q 123 123 ALA A Protein S 1 FT #SUB 59 59 ARG Q 124 124 LYS A Protein S 6 FT #SUB 59 59 ARG Q 254 254 TRP A Protein S 1 FT #SUB 59 59 ARG Q 255 255 ASP A Protein S 4 FT #SUB 59 59 ARG Q 258 258 THR A Protein S 1 FT #SUB 62 62 ARG Q 261 261 TYR A Protein A 3 FT #SUB 62 62 ARG Q 262 262 GLU A Protein S 3 FT #SUB 63 63 ASP Q 258 258 THR A Protein S 2 FT #SUB 63 63 ASP Q 259 259 PRO A Protein S 4 FT #SUB 63 63 ASP Q 260 260 PHE A Protein S 8 FT #SUB 65 65 GLN Q 261 261 TYR A Protein S 1 FT #SUB 66 66 HIS Q 243 243 HIS A Protein S 4 FT #SUB 66 66 HIS Q 246 246 LEU A Protein S 1 FT #SUB 66 66 HIS Q 254 254 TRP A Protein B 3 FT #SUB 66 66 HIS Q 260 260 PHE A Protein S 3 FT #SUB 66 66 HIS Q 261 261 TYR A Protein S 6 FT #SUB 67 67 PHE Q 254 254 TRP A Protein A 9 FT #SUB 70 70 ARG Q 17 17 CYS A Protein B 1 FT #SUB 70 70 ARG Q 147 147 CYS A Protein S 5 FT #SUB 70 70 ARG Q 254 254 TRP A Protein S 5 FT #SUB 72 72 CYS Q 17 17 CYS A Protein B 3 FT #SUB 73 73 GLY Q 17 17 CYS A Protein B 6 FT #SUB 73 73 GLY Q 19 19 GLY A Protein B 2 FT #SUB 73 73 GLY Q 22 22 GLU A Protein B 2 FT #SUB 74 74 ILE Q 17 17 CYS A Protein B 1 FT #SUB 74 74 ILE Q 18 18 THR A Protein S 2 FT #SUB 74 74 ILE Q 22 22 GLU A Protein A 5 FT #SUB 113 113 HIS Q 22 22 GLU A Protein S 1 FT #SUB 113 113 HIS Q 26 26 ARG A Protein S 6 FT #SUB 122 122 PHE Q 47 47 THR A Protein S 4 FT #SUB 170 170 PHE Q 6 6 ARG A Protein S 3 FT #SUB 170 170 PHE Q 36 36 ILE A Protein S 1 FT #SUB 170 170 PHE Q 37 37 LEU A Protein S 1 FT #SUB 173 173 SER Q 6 6 ARG A Protein S 1 FT #SUB 175 175 GLN Q 5 5 HIS A Protein S 7 FT #SUB 175 175 GLN Q 6 6 ARG A Protein A 10 FT #SUB 175 175 GLN Q 41 41 SER A Protein S 3 FT #SUB 177 177 GLY Q 42 42 LEU A Protein B 4 FT #SUB 177 177 GLY Q 43 43 ASP A Protein B 1 FT #SUB 178 178 ILE Q 42 42 LEU A Protein A 2 FT #SUB 178 178 ILE Q 48 48 ILE A Protein S 2 FT #SUB 178 178 ILE Q 49 49 MET A Protein A 4 FT #SUB 178 178 ILE Q 50 50 ALA A Protein B 4 FT #SUB 180 180 THR Q 51 51 ALA A Protein B 1 FT #SUB 180 180 THR Q 59 59 ALA A Protein S 1 FT #SUB 180 180 THR Q 62 62 GLN A Protein S 1 FT #SUB 181 181 ASN Q 51 51 ALA A Protein B 2 FT #SUB 181 181 ASN Q 55 55 ALA A Protein A 4 FT #SUB 181 181 ASN Q 58 58 ALA A Protein S 2 FT #SUB 181 181 ASN Q 59 59 ALA A Protein S 2 FT #SUB 181 181 ASN Q 62 62 GLN A Protein S 1 FT #SUB 182 182 ALA Q 50 50 ALA A Protein S 1 FT #SUB 183 183 TYR Q 52 52 ALA A Protein S 4 FT #SUB 183 183 TYR Q 55 55 ALA A Protein S 1 FT #SUB 209 209 LEU Q 32 32 ILE A Protein S 1 FT #SUB 209 209 LEU Q 33 33 ASP A Protein S 1 FT #SUB 210 210 HIS Q 31 31 TYR A Protein S 13 FT #SUB 210 210 HIS Q 33 33 ASP A Protein S 7 FT #SUB 212 212 GLN Q 25 25 ILE A Protein S 6 FT #SUB 212 212 GLN Q 26 26 ARG A Protein S 3 FT #SUB 213 213 VAL Q 25 25 ILE A Protein S 1 FT #SUB 213 213 VAL Q 28 28 ILE A Protein S 1 FT #SUB 213 213 VAL Q 31 31 TYR A Protein S 1 FT #SUB 216 216 ALA Q 26 26 ARG A Protein S 2 FT #SUB 216 216 ALA Q 233 233 ASN A Protein S 1 FT #SUB 217 217 SER Q 233 233 ASN A Protein A 7 FT #SUB 217 217 SER Q 235 235 VAL A Protein B 1 FT #SUB 220 220 ALA Q 233 233 ASN A Protein S 3 FT #SUB 220 220 ALA Q 235 235 VAL A Protein S 1 FT #SUB 220 220 ALA Q 236 236 ASN A Protein B 3 FT #SUB 221 221 ILE Q 236 236 ASN A Protein B 2 FT #SUB 224 224 GLY Q 236 236 ASN A Protein B 9 FT #SUB 224 224 GLY Q 237 237 TRP A Protein B 4 FT #SUB 224 224 GLY Q 238 238 PRO A Protein B 1 FT #SUB 224 224 GLY Q 241 241 ALA A Protein B 1 FT #SUB 225 225 LYS Q 147 147 CYS A Protein S 1 FT #SUB 225 225 LYS Q 232 232 PHE A Protein S 5 FT #SUB 225 225 LYS Q 233 233 ASN A Protein B 2 FT #SUB 225 225 LYS Q 238 238 PRO A Protein S 3 FT #SUB 226 226 ASN Q 26 26 ARG A Protein S 4 FT #SUB 226 226 ASN Q 233 233 ASN A Protein A 10 FT #SUB 227 227 PRO Q 19 19 GLY A Protein S 1 FT #SUB 227 227 PRO Q 22 22 GLU A Protein S 2 FT #SUB 227 227 PRO Q 23 23 ALA A Protein S 4 FT #SUB 227 227 PRO Q 26 26 ARG A Protein S 1 FT #SUB 227 227 PRO Q 148 148 PRO A Protein A 4 FT #SUB 228 228 HIS Q 17 17 CYS A Protein S 2 FT #SUB 228 228 HIS Q 147 147 CYS A Protein S 4 FT #SUB 228 228 HIS Q 148 148 PRO A Protein S 1 FT #SUB 230 230 GLN Q 238 238 PRO A Protein S 8 FT #SUB 230 230 GLN Q 241 241 ALA A Protein B 1 FT #SUB 230 230 GLN Q 243 243 HIS A Protein A 6 FT #SUB 230 230 GLN Q 244 244 PRO A Protein S 2 FT #SUB 230 230 GLN Q 245 245 CYS A Protein S 1 FT #SUB 230 230 GLN Q 246 246 LEU A Protein S 5 FT #SUB 232 232 THR Q 243 243 HIS A Protein B 2 FT #SUB 232 232 THR Q 261 261 TYR A Protein B 1 FT #SUB 233 233 VAL Q 202 202 PHE A Protein S 4 FT #SUB 233 233 VAL Q 243 243 HIS A Protein S 1 FT #SUB 238 238 SER Q 241 241 ALA A Protein A 5 FT #SUB 238 238 SER Q 242 242 GLY A Protein A 5 FT #SUB 238 238 SER Q 243 243 HIS A Protein S 2 FT #SUB 239 239 ASN Q 241 241 ALA A Protein A 9 FT #SUB 240 240 TYR Q 202 202 PHE A Protein S 4 FT #SUB 240 240 TYR Q 203 203 ASP A Protein S 2 FT #SUB 240 240 TYR Q 207 207 ALA A Protein S 1 FT #SUB 240 240 TYR Q 208 208 LYS A Protein S 7 FT #SUB 241 241 GLN Q 240 240 GLN A Protein S 5 FT #SUB 357 357 PRO Q 86 86 TRP A Protein S 4 FT #SUB 359 359 TYR Q 82 82 ASP A Protein S 1 FT #SUB 359 359 TYR Q 85 85 GLN A Protein S 4 FT #SUB 359 359 TYR Q 86 86 TRP A Protein S 1 FT #SUB 359 359 TYR Q 88 88 MET A Protein S 1 FT #SUB 362 362 LEU Q 88 88 MET A Protein S 1 FT #SUB 362 362 LEU Q 91 91 GLY A Protein S 1 FT #SUB 370 370 TRP Q 86 86 TRP A Protein S 6 FT #SUB 454 454 ASN Q 208 208 LYS A Protein S 2 FT #SUB 457 457 CYS Q 203 203 ASP A Protein B 3 FT #SUB 459 459 LYS Q 203 203 ASP A Protein S 4 FT #SUB 534 534 LEU Q 52 52 ALA A Protein S 2 FT #SUB 545 545 ALA Q 16 16 GLU A Protein S 1 FT #SUB 6 6 PRO Q 320 320 ASP R Protein S 6 FT #SUB 318 318 GLY Q 6 6 PRO R Protein B 2 FT #SUB 320 320 ASP Q 5 5 LYS R Protein S 2 FT #SUB 320 320 ASP Q 6 6 PRO R Protein S 1 FT #SUB 135 135 LYS Q 262 262 GLU C Protein S 3 FT #SUB 181 181 ASN Q 196 196 SER C Protein S 1 FT #SUB 185 185 LEU Q 215 215 GLU C Protein A 4 FT #SUB 186 186 GLY Q 215 215 GLU C Protein B 3 FT #SUB 186 186 GLY Q 262 262 GLU C Protein B 3 FT #SUB 186 186 GLY Q 263 263 GLN C Protein B 1 FT #SUB 187 187 GLY Q 263 263 GLN C Protein B 1 FT #SUB 187 187 GLY Q 264 264 GLY C Protein B 1 FT #SUB 188 188 HIS Q 264 264 GLY C Protein B 4 FT #SUB 189 189 LYS Q 256 256 THR C Protein S 1 FT #SUB 189 189 LYS Q 263 263 GLN C Protein A 2 FT #SUB 189 189 LYS Q 264 264 GLY C Protein A 4 FT #SUB 526 526 ASP Q 214 214 TYR C Protein S 5 FT #SUB 528 528 LYS Q 193 193 PHE C Protein S 10 FT #SUB 528 528 LYS Q 194 194 GLU C Protein S 2 FT #SUB 529 529 ARG Q 214 214 TYR C Protein S 1 FT #SUB 529 529 ARG Q 263 263 GLN C Protein S 2 FT #SUB 135 135 LYS Q 488 488 LYS S Protein B 4 FT #SUB 137 137 ASP Q 464 464 GLU S Protein S 2 FT #SUB 140 140 LYS Q 464 464 GLU S Protein S 4 FT #SUB 140 140 LYS Q 487 487 GLY S Protein S 1 FT #SUB 168 168 LYS Q 461 461 GLU S Protein S 3 FT #HET 53 53 GLU Q 6 553 MG Q S 3 FT #HET 70 70 ARG Q 3 267 SF4 A S 1 FT #HET 72 72 CYS Q 5 551 NI Q S 2 FT #HET 75 75 CYS Q 5 551 NI Q A 4 FT #HET 75 75 CYS Q 7 550 FCO Q S 8 FT #HET 78 78 VAL Q 7 550 FCO Q S 2 FT #HET 79 79 HIS Q 7 550 FCO Q S 3 FT #HET 100 100 ARG Q 8 561 GOL Q S 6 FT #HET 104 104 ASN Q 8 561 GOL Q S 5 FT #HET 181 181 ASN Q 9 562 GOL Q A 8 FT #HET 182 182 ALA Q 9 562 GOL Q B 7 FT #HET 183 183 TYR Q 9 562 GOL Q B 1 FT #HET 185 185 LEU Q 9 562 GOL Q A 9 FT #HET 225 225 LYS Q 2 266 F3S A S 1 FT #HET 228 228 HIS Q 3 267 SF4 A S 2 FT #HET 230 230 GLN Q 2 266 F3S A S 2 FT #HET 295 295 PHE Q 8 561 GOL Q A 6 FT #HET 296 296 ALA Q 8 561 GOL Q B 7 FT #HET 297 297 THR Q 8 561 GOL Q B 2 FT #HET 310 310 GLN Q 8 561 GOL Q S 2 FT #HET 442 442 TRP Q 8 561 GOL Q S 3 FT #HET 445 445 GLU Q 8 561 GOL Q S 4 FT #HET 474 474 ALA Q 7 550 FCO Q A 4 FT #HET 475 475 PRO Q 7 550 FCO Q A 4 FT #HET 476 476 ARG Q 7 550 FCO Q A 15 FT #HET 479 479 LEU Q 7 550 FCO Q S 3 FT #HET 495 495 LEU Q 6 553 MG Q B 3 FT #HET 497 497 VAL Q 7 550 FCO Q S 4 FT #HET 498 498 PRO Q 7 550 FCO Q A 8 FT #HET 499 499 SER Q 7 550 FCO Q A 5 FT #HET 529 529 ARG Q 9 562 GOL Q S 4 FT #HET 543 543 CSO Q 5 551 NI Q S 3 FT #HET 543 543 CSO Q 7 550 FCO Q S 2 FT #HET 546 546 CYS Q 5 551 NI Q S 2 FT #HET 546 546 CYS Q 7 550 FCO Q S 8 FT #HET 549 549 HIS Q 6 553 MG Q S 3 FT DISORDER 1 5 CC SEQUENCE 544 AA (ATOM); CC PTPQSTFTGP IVVDPITRIE GHLRIMVEVE NGKVKDAWSS SQLFRGLEII LKGRDPRDAQ CC HFTQRACGIC TYVHALASSR CVDDAVKVSI PANARMMRNL VMASQYLHDH LVHFYHFHAL CC DWVDVTAALK ADPNKAAKLA ASIAPARPGN SAKALKAVQD KLKAFVESGQ LGIFTNAYFL CC GGHKAYYLPP EVDLIATAHY LEALHMQVKA ASAMAILGGK NPHTQFTVVG GCSNYQGLTK CC DPLANYLALS KEVCQFVNEC YIPDLLAVAG FYKDWGGIGG TSNYLAFGEF ATDDSSPEKH CC LATSQFPSGV ITGRDLGKVD NVDLGAIYED VKYSWYAPGG DGKHPYDGVT DPKYTKLDDK CC DHYSWMKAPR YKGKAMEVGP LARTFIAYAK GQPDFKKVVD MVLGKLSVPA TALHSTLGRT CC AARGIETAIV CANMEKWIKE MADSGAKDNT LCAKWEMPEE SKGVGLADAP RGALSHWIRI CC KGKKIDNFQL VVPSTWNLGP RGAQGDKSPV EEALIGTPIA DPKRPVEILR TVHAFDPXIA CC CGVH CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAESKPTPQSTFTGPIVVDPITRIEGHLRIMVEVENGKVKDAWSSSQLFR CC ATOM -----PTPQSTFTGPIVVDPITRIEGHLRIMVEVENGKVKDAWSSSQLFR CC ********************************************* CC SEQRES GLEIILKGRDPRDAQHFTQRACGICTYVHALASSRCVDDAVKVSIPANAR CC ATOM GLEIILKGRDPRDAQHFTQRACGICTYVHALASSRCVDDAVKVSIPANAR CC ************************************************** CC SEQRES MMRNLVMASQYLHDHLVHFYHFHALDWVDVTAALKADPNKAAKLAASIAP CC ATOM MMRNLVMASQYLHDHLVHFYHFHALDWVDVTAALKADPNKAAKLAASIAP CC ************************************************** CC SEQRES ARPGNSAKALKAVQDKLKAFVESGQLGIFTNAYFLGGHKAYYLPPEVDLI CC ATOM ARPGNSAKALKAVQDKLKAFVESGQLGIFTNAYFLGGHKAYYLPPEVDLI CC ************************************************** CC SEQRES ATAHYLEALHMQVKAASAMAILGGKNPHTQFTVVGGCSNYQGLTKDPLAN CC ATOM ATAHYLEALHMQVKAASAMAILGGKNPHTQFTVVGGCSNYQGLTKDPLAN CC ************************************************** CC SEQRES YLALSKEVCQFVNECYIPDLLAVAGFYKDWGGIGGTSNYLAFGEFATDDS CC ATOM YLALSKEVCQFVNECYIPDLLAVAGFYKDWGGIGGTSNYLAFGEFATDDS CC ************************************************** CC SEQRES SPEKHLATSQFPSGVITGRDLGKVDNVDLGAIYEDVKYSWYAPGGDGKHP CC ATOM SPEKHLATSQFPSGVITGRDLGKVDNVDLGAIYEDVKYSWYAPGGDGKHP CC ************************************************** CC SEQRES YDGVTDPKYTKLDDKDHYSWMKAPRYKGKAMEVGPLARTFIAYAKGQPDF CC ATOM YDGVTDPKYTKLDDKDHYSWMKAPRYKGKAMEVGPLARTFIAYAKGQPDF CC ************************************************** CC SEQRES KKVVDMVLGKLSVPATALHSTLGRTAARGIETAIVCANMEKWIKEMADSG CC ATOM KKVVDMVLGKLSVPATALHSTLGRTAARGIETAIVCANMEKWIKEMADSG CC ************************************************** CC SEQRES AKDNTLCAKWEMPEESKGVGLADAPRGALSHWIRIKGKKIDNFQLVVPST CC ATOM AKDNTLCAKWEMPEESKGVGLADAPRGALSHWIRIKGKKIDNFQLVVPST CC ************************************************** CC SEQRES WNLGPRGAQGDKSPVEEALIGTPIADPKRPVEILRTVHAFDPXIACGVH CC ATOM WNLGPRGAQGDKSPVEEALIGTPIADPKRPVEILRTVHAFDPXIACGVH CC ************************************************* SQ SEQUENCE 549 AA; MW; CN; MAESKPTPQS TFTGPIVVDP ITRIEGHLRI MVEVENGKVK DAWSSSQLFR GLEIILKGRD PRDAQHFTQR ACGICTYVHA LASSRCVDDA VKVSIPANAR MMRNLVMASQ YLHDHLVHFY HFHALDWVDV TAALKADPNK AAKLAASIAP ARPGNSAKAL KAVQDKLKAF VESGQLGIFT NAYFLGGHKA YYLPPEVDLI ATAHYLEALH MQVKAASAMA ILGGKNPHTQ FTVVGGCSNY QGLTKDPLAN YLALSKEVCQ FVNECYIPDL LAVAGFYKDW GGIGGTSNYL AFGEFATDDS SPEKHLATSQ FPSGVITGRD LGKVDNVDLG AIYEDVKYSW YAPGGDGKHP YDGVTDPKYT KLDDKDHYSW MKAPRYKGKA MEVGPLARTF IAYAKGQPDF KKVVDMVLGK LSVPATALHS TLGRTAARGI ETAIVCANME KWIKEMADSG AKDNTLCAKW EMPEESKGVG LADAPRGALS HWIRIKGKKI DNFQLVVPST WNLGPRGAQG DKSPVEEALI GTPIADPKRP VEILRTVHAF DPXIACGVH // ID 3CUSB STANDARD; PRT; 264 AA. DT CONVERTED FROM PDB (SEQRES) 3CUS DE Periplasmic [NiFe] hydrogenase small subunit OS Desulfovibrio fructosovorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.187 FT #SUB 5 5 HIS B 175 175 GLN R Protein A 9 FT #SUB 6 6 ARG B 170 170 PHE R Protein S 4 FT #SUB 6 6 ARG B 173 173 SER R Protein S 1 FT #SUB 6 6 ARG B 175 175 GLN R Protein A 8 FT #SUB 13 13 HIS B 27 27 HIS R Protein A 6 FT #SUB 14 14 ASN B 27 27 HIS R Protein B 4 FT #SUB 14 14 ASN B 48 48 LEU R Protein B 1 FT #SUB 15 15 ALA B 48 48 LEU R Protein A 3 FT #SUB 16 16 GLU B 25 25 GLU R Protein B 1 FT #SUB 16 16 GLU B 27 27 HIS R Protein S 3 FT #SUB 16 16 GLU B 50 50 ARG R Protein B 1 FT #SUB 16 16 GLU B 545 545 ALA R Protein B 1 FT #SUB 17 17 CYS B 25 25 GLU R Protein B 4 FT #SUB 17 17 CYS B 50 50 ARG R Protein S 1 FT #SUB 17 17 CYS B 70 70 ARG R Protein S 1 FT #SUB 17 17 CYS B 72 72 CYS R Protein A 6 FT #SUB 17 17 CYS B 73 73 GLY R Protein A 6 FT #SUB 17 17 CYS B 74 74 ILE R Protein B 1 FT #SUB 17 17 CYS B 228 228 HIS R Protein S 2 FT #SUB 18 18 THR B 25 25 GLU R Protein A 6 FT #SUB 18 18 THR B 74 74 ILE R Protein S 1 FT #SUB 19 19 GLY B 73 73 GLY R Protein B 2 FT #SUB 19 19 GLY B 227 227 PRO R Protein B 1 FT #SUB 22 22 GLU B 73 73 GLY R Protein S 2 FT #SUB 22 22 GLU B 74 74 ILE R Protein S 5 FT #SUB 22 22 GLU B 113 113 HIS R Protein S 1 FT #SUB 22 22 GLU B 227 227 PRO R Protein S 1 FT #SUB 23 23 ALA B 227 227 PRO R Protein A 4 FT #SUB 25 25 ILE B 212 212 GLN R Protein A 8 FT #SUB 25 25 ILE B 213 213 VAL R Protein B 1 FT #SUB 26 26 ARG B 113 113 HIS R Protein S 8 FT #SUB 26 26 ARG B 212 212 GLN R Protein S 3 FT #SUB 26 26 ARG B 213 213 VAL R Protein B 1 FT #SUB 26 26 ARG B 216 216 ALA R Protein S 2 FT #SUB 26 26 ARG B 226 226 ASN R Protein S 5 FT #SUB 28 28 ILE B 213 213 VAL R Protein S 1 FT #SUB 31 31 TYR B 210 210 HIS R Protein S 12 FT #SUB 31 31 TYR B 213 213 VAL R Protein S 1 FT #SUB 32 32 ILE B 209 209 LEU R Protein S 2 FT #SUB 33 33 ASP B 206 206 LEU R Protein S 1 FT #SUB 33 33 ASP B 209 209 LEU R Protein S 1 FT #SUB 33 33 ASP B 210 210 HIS R Protein S 7 FT #SUB 36 36 ILE B 170 170 PHE R Protein B 1 FT #SUB 37 37 LEU B 170 170 PHE R Protein S 3 FT #SUB 41 41 SER B 175 175 GLN R Protein S 3 FT #SUB 42 42 LEU B 177 177 GLY R Protein B 3 FT #SUB 42 42 LEU B 178 178 ILE R Protein B 2 FT #SUB 43 43 ASP B 177 177 GLY R Protein S 1 FT #SUB 44 44 TYR B 20 20 PRO R Protein S 1 FT #SUB 46 46 GLU B 22 22 THR R Protein B 4 FT #SUB 46 46 GLU B 23 23 ARG R Protein B 3 FT #SUB 46 46 GLU B 27 27 HIS R Protein S 2 FT #SUB 47 47 THR B 23 23 ARG R Protein B 7 FT #SUB 47 47 THR B 24 24 ILE R Protein S 1 FT #SUB 47 47 THR B 122 122 PHE R Protein A 4 FT #SUB 48 48 ILE B 23 23 ARG R Protein B 4 FT #SUB 48 48 ILE B 178 178 ILE R Protein A 2 FT #SUB 49 49 MET B 22 22 THR R Protein A 4 FT #SUB 49 49 MET B 23 23 ARG R Protein B 5 FT #SUB 49 49 MET B 178 178 ILE R Protein A 3 FT #SUB 50 50 ALA B 23 23 ARG R Protein B 5 FT #SUB 50 50 ALA B 125 125 LEU R Protein S 1 FT #SUB 50 50 ALA B 178 178 ILE R Protein A 4 FT #SUB 50 50 ALA B 182 182 ALA R Protein S 1 FT #SUB 51 51 ALA B 22 22 THR R Protein B 4 FT #SUB 51 51 ALA B 180 180 THR R Protein S 1 FT #SUB 51 51 ALA B 181 181 ASN R Protein A 4 FT #SUB 52 52 ALA B 18 18 VAL R Protein S 1 FT #SUB 52 52 ALA B 20 20 PRO R Protein A 3 FT #SUB 52 52 ALA B 22 22 THR R Protein A 3 FT #SUB 52 52 ALA B 183 183 TYR R Protein A 4 FT #SUB 52 52 ALA B 534 534 LEU R Protein S 2 FT #SUB 53 53 GLY B 18 18 VAL R Protein B 2 FT #SUB 53 53 GLY B 19 19 ASP R Protein B 5 FT #SUB 53 53 GLY B 20 20 PRO R Protein B 7 FT #SUB 54 54 GLU B 528 528 LYS R Protein S 2 FT #SUB 55 55 ALA B 181 181 ASN R Protein A 6 FT #SUB 55 55 ALA B 183 183 TYR R Protein S 1 FT #SUB 58 58 ALA B 181 181 ASN R Protein A 2 FT #SUB 59 59 ALA B 180 180 THR R Protein S 1 FT #SUB 59 59 ALA B 181 181 ASN R Protein A 3 FT #SUB 62 62 GLN B 180 180 THR R Protein S 1 FT #SUB 62 62 GLN B 181 181 ASN R Protein S 4 FT #SUB 82 82 ASP B 359 359 TYR R Protein S 1 FT #SUB 85 85 GLN B 359 359 TYR R Protein A 6 FT #SUB 85 85 GLN B 361 361 LYS R Protein S 4 FT #SUB 86 86 TRP B 47 47 GLN R Protein B 2 FT #SUB 86 86 TRP B 48 48 LEU R Protein B 3 FT #SUB 86 86 TRP B 49 49 PHE R Protein A 3 FT #SUB 86 86 TRP B 357 357 PRO R Protein S 4 FT #SUB 86 86 TRP B 359 359 TYR R Protein S 1 FT #SUB 86 86 TRP B 370 370 TRP R Protein A 9 FT #SUB 87 87 GLY B 47 47 GLN R Protein B 3 FT #SUB 87 87 GLY B 48 48 LEU R Protein B 1 FT #SUB 88 88 MET B 47 47 GLN R Protein A 4 FT #SUB 88 88 MET B 359 359 TYR R Protein S 1 FT #SUB 88 88 MET B 362 362 LEU R Protein S 1 FT #SUB 89 89 VAL B 20 20 PRO R Protein S 1 FT #SUB 89 89 VAL B 27 27 HIS R Protein S 2 FT #SUB 90 90 ALA B 19 19 ASP R Protein A 8 FT #SUB 91 91 GLY B 19 19 ASP R Protein B 1 FT #SUB 91 91 GLY B 29 29 ARG R Protein B 1 FT #SUB 91 91 GLY B 362 362 LEU R Protein B 1 FT #SUB 94 94 MET B 27 27 HIS R Protein S 5 FT #SUB 120 120 VAL B 52 52 LEU R Protein S 1 FT #SUB 120 120 VAL B 55 55 ILE R Protein B 1 FT #SUB 121 121 GLN B 50 50 ARG R Protein S 3 FT #SUB 121 121 GLN B 55 55 ILE R Protein B 2 FT #SUB 123 123 ALA B 55 55 ILE R Protein A 3 FT #SUB 123 123 ALA B 59 59 ARG R Protein A 2 FT #SUB 124 124 LYS B 55 55 ILE R Protein B 6 FT #SUB 124 124 LYS B 59 59 ARG R Protein A 6 FT #SUB 125 125 PRO B 54 54 ILE R Protein S 2 FT #SUB 125 125 PRO B 55 55 ILE R Protein S 1 FT #SUB 127 127 PRO B 50 50 ARG R Protein S 1 FT #SUB 147 147 CYS B 70 70 ARG R Protein A 6 FT #SUB 147 147 CYS B 228 228 HIS R Protein B 4 FT #SUB 148 148 PRO B 227 227 PRO R Protein S 5 FT #SUB 148 148 PRO B 228 228 HIS R Protein S 1 FT #SUB 202 202 PHE B 233 233 VAL R Protein S 4 FT #SUB 202 202 PHE B 238 238 SER R Protein S 1 FT #SUB 202 202 PHE B 240 240 TYR R Protein B 4 FT #SUB 202 202 PHE B 457 457 CYS R Protein S 1 FT #SUB 203 203 ASP B 240 240 TYR R Protein B 2 FT #SUB 203 203 ASP B 457 457 CYS R Protein A 2 FT #SUB 203 203 ASP B 459 459 LYS R Protein S 4 FT #SUB 207 207 ALA B 240 240 TYR R Protein S 1 FT #SUB 208 208 LYS B 240 240 TYR R Protein A 7 FT #SUB 208 208 LYS B 454 454 ASN R Protein S 2 FT #SUB 232 232 PHE B 225 225 LYS R Protein S 5 FT #SUB 233 233 ASN B 216 216 ALA R Protein S 1 FT #SUB 233 233 ASN B 217 217 SER R Protein A 7 FT #SUB 233 233 ASN B 220 220 ALA R Protein S 3 FT #SUB 233 233 ASN B 225 225 LYS R Protein S 2 FT #SUB 233 233 ASN B 226 226 ASN R Protein S 10 FT #SUB 235 235 VAL B 217 217 SER R Protein S 1 FT #SUB 235 235 VAL B 220 220 ALA R Protein S 1 FT #SUB 235 235 VAL B 221 221 ILE R Protein S 3 FT #SUB 236 236 ASN B 220 220 ALA R Protein S 3 FT #SUB 236 236 ASN B 221 221 ILE R Protein S 2 FT #SUB 236 236 ASN B 224 224 GLY R Protein A 10 FT #SUB 237 237 TRP B 224 224 GLY R Protein B 4 FT #SUB 238 238 PRO B 224 224 GLY R Protein B 1 FT #SUB 238 238 PRO B 225 225 LYS R Protein S 3 FT #SUB 238 238 PRO B 230 230 GLN R Protein A 9 FT #SUB 240 240 GLN B 241 241 GLN R Protein S 5 FT #SUB 241 241 ALA B 224 224 GLY R Protein S 1 FT #SUB 241 241 ALA B 238 238 SER R Protein B 5 FT #SUB 241 241 ALA B 239 239 ASN R Protein A 10 FT #SUB 242 242 GLY B 238 238 SER R Protein B 6 FT #SUB 243 243 HIS B 66 66 HIS R Protein S 4 FT #SUB 243 243 HIS B 230 230 GLN R Protein S 6 FT #SUB 243 243 HIS B 232 232 THR R Protein S 2 FT #SUB 243 243 HIS B 233 233 VAL R Protein S 1 FT #SUB 243 243 HIS B 238 238 SER R Protein A 3 FT #SUB 244 244 PRO B 230 230 GLN R Protein B 2 FT #SUB 245 245 CYS B 230 230 GLN R Protein B 1 FT #SUB 246 246 LEU B 66 66 HIS R Protein S 3 FT #SUB 246 246 LEU B 230 230 GLN R Protein A 5 FT #SUB 254 254 TRP B 59 59 ARG R Protein B 1 FT #SUB 254 254 TRP B 66 66 HIS R Protein S 3 FT #SUB 254 254 TRP B 67 67 PHE R Protein A 10 FT #SUB 254 254 TRP B 70 70 ARG R Protein S 4 FT #SUB 255 255 ASP B 59 59 ARG R Protein S 3 FT #SUB 258 258 THR B 59 59 ARG R Protein S 1 FT #SUB 258 258 THR B 63 63 ASP R Protein S 2 FT #SUB 259 259 PRO B 60 60 ASP R Protein S 1 FT #SUB 259 259 PRO B 63 63 ASP R Protein A 4 FT #SUB 260 260 PHE B 63 63 ASP R Protein A 8 FT #SUB 260 260 PHE B 66 66 HIS R Protein S 3 FT #SUB 261 261 TYR B 62 62 ARG R Protein S 4 FT #SUB 261 261 TYR B 65 65 GLN R Protein S 1 FT #SUB 261 261 TYR B 66 66 HIS R Protein S 5 FT #SUB 261 261 TYR B 232 232 THR R Protein S 1 FT #SUB 262 262 GLU B 62 62 ARG R Protein S 5 FT #HET 16 16 GLU B 12 267 SF4 B A 2 FT #HET 17 17 CYS B 12 267 SF4 B A 6 FT #HET 19 19 GLY B 12 267 SF4 B B 2 FT #HET 20 20 CYS B 12 267 SF4 B A 7 FT #HET 112 112 GLY B 12 267 SF4 B B 2 FT #HET 113 113 THR B 12 267 SF4 B B 1 FT #HET 114 114 CYS B 12 267 SF4 B A 5 FT #HET 146 146 GLY B 12 267 SF4 B B 1 FT #HET 147 147 CYS B 12 267 SF4 B A 8 FT #HET 148 148 PRO B 12 267 SF4 B A 4 FT #HET 184 184 HIS B 10 265 SF4 B A 11 FT #HET 187 187 CYS B 10 265 SF4 B S 7 FT #HET 189 189 ARG B 10 265 SF4 B B 2 FT #HET 190 190 LEU B 10 265 SF4 B B 2 FT #HET 193 193 PHE B 10 265 SF4 B S 1 FT #HET 212 212 CYS B 10 265 SF4 B A 5 FT #HET 213 213 LEU B 10 265 SF4 B B 2 FT #HET 214 214 TYR B 10 265 SF4 B A 4 FT #HET 218 218 CYS B 10 265 SF4 B S 6 FT #HET 220 220 GLY B 10 265 SF4 B B 1 FT #HET 221 221 PRO B 10 265 SF4 B S 1 FT #HET 223 223 THR B 11 266 F3S B S 1 FT #HET 225 225 ASN B 11 266 F3S B S 2 FT #HET 227 227 CYS B 11 266 F3S B S 5 FT #HET 232 232 PHE B 11 266 F3S B S 2 FT #HET 237 237 TRP B 11 266 F3S B S 2 FT #HET 238 238 PRO B 11 266 F3S B S 2 FT #HET 239 239 VAL B 10 265 SF4 B S 1 FT #HET 245 245 CYS B 11 266 F3S B A 7 FT #HET 246 246 LEU B 11 266 F3S B A 4 FT #HET 247 247 GLY B 11 266 F3S B B 1 FT #HET 248 248 CYS B 11 266 F3S B A 7 FT DISORDER 1 2 CC SEQUENCE 262 AA (ATOM); CC AKHRPSVVWL HNAECTGCTE AAIRTIKPYI DALILDTISL DYQETIMAAA GEAAEAALHQ CC ALEGKDGYYL VVEGGLPTID GGQWGMVAGH PMIETTKKAA AKAKGIICIG TCSAYGGVQK CC AKPNPSQAKG VSEALGVKTI NIPGCPPNPI NFVGAVVHVL TKGIPDLDEN GRPKLFYGEL CC VHDNCPRLPH FEASEFAPSF DSEEAKKGFC LYELGCKGPV TYNNCPKVLF NQVNWPVQAG CC HPCLGCSEPD FWDTMTPFYE QG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES LTAKHRPSVVWLHNAECTGCTEAAIRTIKPYIDALILDTISLDYQETIMA CC ATOM --AKHRPSVVWLHNAECTGCTEAAIRTIKPYIDALILDTISLDYQETIMA CC ************************************************ CC SEQRES AAGEAAEAALHQALEGKDGYYLVVEGGLPTIDGGQWGMVAGHPMIETTKK CC ATOM AAGEAAEAALHQALEGKDGYYLVVEGGLPTIDGGQWGMVAGHPMIETTKK CC ************************************************** CC SEQRES AAAKAKGIICIGTCSAYGGVQKAKPNPSQAKGVSEALGVKTINIPGCPPN CC ATOM AAAKAKGIICIGTCSAYGGVQKAKPNPSQAKGVSEALGVKTINIPGCPPN CC ************************************************** CC SEQRES PINFVGAVVHVLTKGIPDLDENGRPKLFYGELVHDNCPRLPHFEASEFAP CC ATOM PINFVGAVVHVLTKGIPDLDENGRPKLFYGELVHDNCPRLPHFEASEFAP CC ************************************************** CC SEQRES SFDSEEAKKGFCLYELGCKGPVTYNNCPKVLFNQVNWPVQAGHPCLGCSE CC ATOM SFDSEEAKKGFCLYELGCKGPVTYNNCPKVLFNQVNWPVQAGHPCLGCSE CC ************************************************** CC SEQRES PDFWDTMTPFYEQG CC ATOM PDFWDTMTPFYEQG CC ************** SQ SEQUENCE 264 AA; MW; CN; LTAKHRPSVV WLHNAECTGC TEAAIRTIKP YIDALILDTI SLDYQETIMA AAGEAAEAAL HQALEGKDGY YLVVEGGLPT IDGGQWGMVA GHPMIETTKK AAAKAKGIIC IGTCSAYGGV QKAKPNPSQA KGVSEALGVK TINIPGCPPN PINFVGAVVH VLTKGIPDLD ENGRPKLFYG ELVHDNCPRL PHFEASEFAP SFDSEEAKKG FCLYELGCKG PVTYNNCPKV LFNQVNWPVQ AGHPCLGCSE PDFWDTMTPF YEQG // ID 3CUSR STANDARD; PRT; 549 AA. DT CONVERTED FROM PDB (SEQRES) 3CUS DE Periplasmic [NiFe] hydrogenase large subunit OS Desulfovibrio fructosovorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.187 FT #SUB 5 5 LYS R 320 320 ASP Q Protein B 2 FT #SUB 6 6 PRO R 318 318 GLY Q Protein S 2 FT #SUB 6 6 PRO R 320 320 ASP Q Protein S 1 FT #SUB 320 320 ASP R 6 6 PRO Q Protein S 6 FT #SUB 18 18 VAL R 52 52 ALA B Protein S 1 FT #SUB 18 18 VAL R 53 53 GLY B Protein S 2 FT #SUB 19 19 ASP R 53 53 GLY B Protein B 5 FT #SUB 19 19 ASP R 90 90 ALA B Protein A 8 FT #SUB 19 19 ASP R 91 91 GLY B Protein S 1 FT #SUB 20 20 PRO R 44 44 TYR B Protein S 1 FT #SUB 20 20 PRO R 52 52 ALA B Protein B 3 FT #SUB 20 20 PRO R 53 53 GLY B Protein A 7 FT #SUB 20 20 PRO R 89 89 VAL B Protein S 1 FT #SUB 22 22 THR R 46 46 GLU B Protein A 4 FT #SUB 22 22 THR R 49 49 MET B Protein S 4 FT #SUB 22 22 THR R 51 51 ALA B Protein S 4 FT #SUB 22 22 THR R 52 52 ALA B Protein S 3 FT #SUB 23 23 ARG R 46 46 GLU B Protein B 3 FT #SUB 23 23 ARG R 47 47 THR B Protein A 7 FT #SUB 23 23 ARG R 48 48 ILE B Protein S 4 FT #SUB 23 23 ARG R 49 49 MET B Protein S 5 FT #SUB 23 23 ARG R 50 50 ALA B Protein S 5 FT #SUB 24 24 ILE R 47 47 THR B Protein B 1 FT #SUB 25 25 GLU R 16 16 GLU B Protein S 1 FT #SUB 25 25 GLU R 17 17 CYS B Protein S 4 FT #SUB 25 25 GLU R 18 18 THR B Protein S 6 FT #SUB 27 27 HIS R 13 13 HIS B Protein S 6 FT #SUB 27 27 HIS R 14 14 ASN B Protein S 4 FT #SUB 27 27 HIS R 16 16 GLU B Protein S 3 FT #SUB 27 27 HIS R 46 46 GLU B Protein S 2 FT #SUB 27 27 HIS R 89 89 VAL B Protein S 2 FT #SUB 27 27 HIS R 94 94 MET B Protein S 5 FT #SUB 29 29 ARG R 91 91 GLY B Protein S 1 FT #SUB 47 47 GLN R 86 86 TRP B Protein B 2 FT #SUB 47 47 GLN R 87 87 GLY B Protein B 3 FT #SUB 47 47 GLN R 88 88 MET B Protein A 4 FT #SUB 48 48 LEU R 14 14 ASN B Protein S 1 FT #SUB 48 48 LEU R 15 15 ALA B Protein S 3 FT #SUB 48 48 LEU R 86 86 TRP B Protein A 3 FT #SUB 48 48 LEU R 87 87 GLY B Protein S 1 FT #SUB 49 49 PHE R 86 86 TRP B Protein A 3 FT #SUB 50 50 ARG R 16 16 GLU B Protein S 1 FT #SUB 50 50 ARG R 17 17 CYS B Protein S 1 FT #SUB 50 50 ARG R 121 121 GLN B Protein S 3 FT #SUB 50 50 ARG R 127 127 PRO B Protein B 1 FT #SUB 52 52 LEU R 120 120 VAL B Protein S 1 FT #SUB 54 54 ILE R 125 125 PRO B Protein A 2 FT #SUB 55 55 ILE R 120 120 VAL B Protein S 1 FT #SUB 55 55 ILE R 121 121 GLN B Protein S 2 FT #SUB 55 55 ILE R 123 123 ALA B Protein S 3 FT #SUB 55 55 ILE R 124 124 LYS B Protein A 6 FT #SUB 55 55 ILE R 125 125 PRO B Protein B 1 FT #SUB 59 59 ARG R 123 123 ALA B Protein S 2 FT #SUB 59 59 ARG R 124 124 LYS B Protein S 6 FT #SUB 59 59 ARG R 254 254 TRP B Protein S 1 FT #SUB 59 59 ARG R 255 255 ASP B Protein S 3 FT #SUB 59 59 ARG R 258 258 THR B Protein S 1 FT #SUB 60 60 ASP R 259 259 PRO B Protein S 1 FT #SUB 62 62 ARG R 261 261 TYR B Protein A 4 FT #SUB 62 62 ARG R 262 262 GLU B Protein S 5 FT #SUB 63 63 ASP R 258 258 THR B Protein S 2 FT #SUB 63 63 ASP R 259 259 PRO B Protein S 4 FT #SUB 63 63 ASP R 260 260 PHE B Protein S 8 FT #SUB 65 65 GLN R 261 261 TYR B Protein S 1 FT #SUB 66 66 HIS R 243 243 HIS B Protein S 4 FT #SUB 66 66 HIS R 246 246 LEU B Protein S 3 FT #SUB 66 66 HIS R 254 254 TRP B Protein B 3 FT #SUB 66 66 HIS R 260 260 PHE B Protein S 3 FT #SUB 66 66 HIS R 261 261 TYR B Protein S 5 FT #SUB 67 67 PHE R 254 254 TRP B Protein A 10 FT #SUB 70 70 ARG R 17 17 CYS B Protein B 1 FT #SUB 70 70 ARG R 147 147 CYS B Protein S 6 FT #SUB 70 70 ARG R 254 254 TRP B Protein S 4 FT #SUB 72 72 CYS R 17 17 CYS B Protein B 6 FT #SUB 73 73 GLY R 17 17 CYS B Protein B 6 FT #SUB 73 73 GLY R 19 19 GLY B Protein B 2 FT #SUB 73 73 GLY R 22 22 GLU B Protein B 2 FT #SUB 74 74 ILE R 17 17 CYS B Protein B 1 FT #SUB 74 74 ILE R 18 18 THR B Protein S 1 FT #SUB 74 74 ILE R 22 22 GLU B Protein A 5 FT #SUB 113 113 HIS R 22 22 GLU B Protein S 1 FT #SUB 113 113 HIS R 26 26 ARG B Protein S 8 FT #SUB 122 122 PHE R 47 47 THR B Protein S 4 FT #SUB 125 125 LEU R 50 50 ALA B Protein S 1 FT #SUB 170 170 PHE R 6 6 ARG B Protein S 4 FT #SUB 170 170 PHE R 36 36 ILE B Protein S 1 FT #SUB 170 170 PHE R 37 37 LEU B Protein S 3 FT #SUB 173 173 SER R 6 6 ARG B Protein S 1 FT #SUB 175 175 GLN R 5 5 HIS B Protein S 9 FT #SUB 175 175 GLN R 6 6 ARG B Protein A 8 FT #SUB 175 175 GLN R 41 41 SER B Protein S 3 FT #SUB 177 177 GLY R 42 42 LEU B Protein B 3 FT #SUB 177 177 GLY R 43 43 ASP B Protein B 1 FT #SUB 178 178 ILE R 42 42 LEU B Protein A 2 FT #SUB 178 178 ILE R 48 48 ILE B Protein S 2 FT #SUB 178 178 ILE R 49 49 MET B Protein B 3 FT #SUB 178 178 ILE R 50 50 ALA B Protein B 4 FT #SUB 180 180 THR R 51 51 ALA B Protein B 1 FT #SUB 180 180 THR R 59 59 ALA B Protein S 1 FT #SUB 180 180 THR R 62 62 GLN B Protein S 1 FT #SUB 181 181 ASN R 51 51 ALA B Protein A 4 FT #SUB 181 181 ASN R 55 55 ALA B Protein A 6 FT #SUB 181 181 ASN R 58 58 ALA B Protein S 2 FT #SUB 181 181 ASN R 59 59 ALA B Protein S 3 FT #SUB 181 181 ASN R 62 62 GLN B Protein S 4 FT #SUB 182 182 ALA R 50 50 ALA B Protein S 1 FT #SUB 183 183 TYR R 52 52 ALA B Protein S 4 FT #SUB 183 183 TYR R 55 55 ALA B Protein S 1 FT #SUB 206 206 LEU R 33 33 ASP B Protein S 1 FT #SUB 209 209 LEU R 32 32 ILE B Protein S 2 FT #SUB 209 209 LEU R 33 33 ASP B Protein S 1 FT #SUB 210 210 HIS R 31 31 TYR B Protein S 12 FT #SUB 210 210 HIS R 33 33 ASP B Protein S 7 FT #SUB 212 212 GLN R 25 25 ILE B Protein S 8 FT #SUB 212 212 GLN R 26 26 ARG B Protein S 3 FT #SUB 213 213 VAL R 25 25 ILE B Protein S 1 FT #SUB 213 213 VAL R 26 26 ARG B Protein S 1 FT #SUB 213 213 VAL R 28 28 ILE B Protein S 1 FT #SUB 213 213 VAL R 31 31 TYR B Protein S 1 FT #SUB 216 216 ALA R 26 26 ARG B Protein S 2 FT #SUB 216 216 ALA R 233 233 ASN B Protein S 1 FT #SUB 217 217 SER R 233 233 ASN B Protein A 7 FT #SUB 217 217 SER R 235 235 VAL B Protein B 1 FT #SUB 220 220 ALA R 233 233 ASN B Protein S 3 FT #SUB 220 220 ALA R 235 235 VAL B Protein S 1 FT #SUB 220 220 ALA R 236 236 ASN B Protein B 3 FT #SUB 221 221 ILE R 235 235 VAL B Protein A 3 FT #SUB 221 221 ILE R 236 236 ASN B Protein B 2 FT #SUB 224 224 GLY R 236 236 ASN B Protein B 10 FT #SUB 224 224 GLY R 237 237 TRP B Protein B 4 FT #SUB 224 224 GLY R 238 238 PRO B Protein B 1 FT #SUB 224 224 GLY R 241 241 ALA B Protein B 1 FT #SUB 225 225 LYS R 232 232 PHE B Protein S 5 FT #SUB 225 225 LYS R 233 233 ASN B Protein B 2 FT #SUB 225 225 LYS R 238 238 PRO B Protein S 3 FT #SUB 226 226 ASN R 26 26 ARG B Protein S 5 FT #SUB 226 226 ASN R 233 233 ASN B Protein A 10 FT #SUB 227 227 PRO R 19 19 GLY B Protein S 1 FT #SUB 227 227 PRO R 22 22 GLU B Protein S 1 FT #SUB 227 227 PRO R 23 23 ALA B Protein S 4 FT #SUB 227 227 PRO R 148 148 PRO B Protein A 5 FT #SUB 228 228 HIS R 17 17 CYS B Protein S 2 FT #SUB 228 228 HIS R 147 147 CYS B Protein S 4 FT #SUB 228 228 HIS R 148 148 PRO B Protein S 1 FT #SUB 230 230 GLN R 238 238 PRO B Protein A 9 FT #SUB 230 230 GLN R 243 243 HIS B Protein A 6 FT #SUB 230 230 GLN R 244 244 PRO B Protein S 2 FT #SUB 230 230 GLN R 245 245 CYS B Protein S 1 FT #SUB 230 230 GLN R 246 246 LEU B Protein S 5 FT #SUB 232 232 THR R 243 243 HIS B Protein B 2 FT #SUB 232 232 THR R 261 261 TYR B Protein B 1 FT #SUB 233 233 VAL R 202 202 PHE B Protein S 4 FT #SUB 233 233 VAL R 243 243 HIS B Protein S 1 FT #SUB 238 238 SER R 202 202 PHE B Protein S 1 FT #SUB 238 238 SER R 241 241 ALA B Protein A 5 FT #SUB 238 238 SER R 242 242 GLY B Protein A 6 FT #SUB 238 238 SER R 243 243 HIS B Protein S 3 FT #SUB 239 239 ASN R 241 241 ALA B Protein A 10 FT #SUB 240 240 TYR R 202 202 PHE B Protein S 4 FT #SUB 240 240 TYR R 203 203 ASP B Protein S 2 FT #SUB 240 240 TYR R 207 207 ALA B Protein S 1 FT #SUB 240 240 TYR R 208 208 LYS B Protein S 7 FT #SUB 241 241 GLN R 240 240 GLN B Protein S 5 FT #SUB 357 357 PRO R 86 86 TRP B Protein S 4 FT #SUB 359 359 TYR R 82 82 ASP B Protein S 1 FT #SUB 359 359 TYR R 85 85 GLN B Protein S 6 FT #SUB 359 359 TYR R 86 86 TRP B Protein S 1 FT #SUB 359 359 TYR R 88 88 MET B Protein S 1 FT #SUB 361 361 LYS R 85 85 GLN B Protein S 4 FT #SUB 362 362 LEU R 88 88 MET B Protein S 1 FT #SUB 362 362 LEU R 91 91 GLY B Protein S 1 FT #SUB 370 370 TRP R 86 86 TRP B Protein S 9 FT #SUB 454 454 ASN R 208 208 LYS B Protein S 2 FT #SUB 457 457 CYS R 202 202 PHE B Protein S 1 FT #SUB 457 457 CYS R 203 203 ASP B Protein B 2 FT #SUB 459 459 LYS R 203 203 ASP B Protein S 4 FT #SUB 528 528 LYS R 54 54 GLU B Protein S 2 FT #SUB 534 534 LEU R 52 52 ALA B Protein S 2 FT #SUB 545 545 ALA R 16 16 GLU B Protein S 1 FT #SUB 303 303 GLU R 99 99 LYS C Protein S 3 FT #SUB 303 303 GLU R 136 136 ALA C Protein S 1 FT #SUB 326 326 ASN R 131 131 LYS C Protein S 1 FT #SUB 326 326 ASN R 135 135 GLU C Protein S 5 FT #SUB 327 327 VAL R 135 135 GLU C Protein B 1 FT #SUB 328 328 ASP R 134 134 SER C Protein S 12 FT #SUB 328 328 ASP R 135 135 GLU C Protein S 1 FT #SUB 329 329 LEU R 138 138 GLY C Protein A 3 FT #SUB 330 330 GLY R 138 138 GLY C Protein B 2 FT #SUB 330 330 GLY R 140 140 LYS C Protein B 4 FT #SUB 377 377 LYS R 171 171 GLU C Protein A 4 FT #SUB 467 467 LYS R 103 103 ALA C Protein S 1 FT #HET 53 53 GLU R 14 553 MG R S 3 FT #HET 70 70 ARG R 12 267 SF4 B S 1 FT #HET 72 72 CYS R 13 551 NI R S 2 FT #HET 75 75 CYS R 13 551 NI R A 4 FT #HET 75 75 CYS R 15 550 FCO R S 6 FT #HET 78 78 VAL R 15 550 FCO R S 2 FT #HET 79 79 HIS R 15 550 FCO R S 4 FT #HET 100 100 ARG R 16 563 GOL R S 5 FT #HET 104 104 ASN R 16 563 GOL R S 5 FT #HET 225 225 LYS R 11 266 F3S B S 2 FT #HET 228 228 HIS R 12 267 SF4 B S 2 FT #HET 230 230 GLN R 11 266 F3S B S 2 FT #HET 295 295 PHE R 16 563 GOL R A 6 FT #HET 296 296 ALA R 16 563 GOL R B 7 FT #HET 297 297 THR R 16 563 GOL R A 3 FT #HET 310 310 GLN R 16 563 GOL R S 2 FT #HET 442 442 TRP R 16 563 GOL R S 4 FT #HET 445 445 GLU R 16 563 GOL R S 4 FT #HET 474 474 ALA R 15 550 FCO R A 4 FT #HET 475 475 PRO R 15 550 FCO R A 4 FT #HET 476 476 ARG R 15 550 FCO R A 15 FT #HET 479 479 LEU R 15 550 FCO R S 3 FT #HET 495 495 LEU R 14 553 MG R B 4 FT #HET 497 497 VAL R 15 550 FCO R S 4 FT #HET 498 498 PRO R 15 550 FCO R S 7 FT #HET 499 499 SER R 15 550 FCO R A 5 FT #HET 543 543 CSO R 13 551 NI R S 3 FT #HET 543 543 CSO R 15 550 FCO R S 2 FT #HET 546 546 CYS R 13 551 NI R S 2 FT #HET 546 546 CYS R 15 550 FCO R S 8 FT #HET 549 549 HIS R 14 553 MG R S 3 FT DISORDER 1 4 CC Miss-SC 1 CC SEQUENCE 545 AA (ATOM); CC KPTPQSTFTG PIVVDPITRI EGHLRIMVEV ENGKVKDAWS SSQLFRGLEI ILKGRDPRDA CC QHFTQRACGI CTYVHALASS RCVDDAVKVS IPANARMMRN LVMASQYLHD HLVHFYHFHA CC LDWVDVTAAL KADPNKAAKL AASIAPARPG NSAKALKAVQ DKLKAFVESG QLGIFTNAYF CC LGGHKAYYLP PEVDLIATAH YLEALHMQVK AASAMAILGG KNPHTQFTVV GGCSNYQGLT CC KDPLANYLAL SKEVCQFVNE CYIPDLLAVA GFYKDWGGIG GTSNYLAFGE FATDDSSPEK CC HLATSQFPSG VITGRDLGKV DNVDLGAIYE DVKYSWYAPG GDGKHPYDGV TDPKYTKLDD CC KDHYSWMKAP RYKGKAMEVG PLARTFIAYA KGQPDFKKVV DMVLGKLSVP ATALHSTLGR CC TAARGIETAI VCANMEKWIK EMADSGAKDN TLCAKWEMPE ESKGVGLADA PRGALSHWIR CC IKGKKIDNFQ LVVPSTWNLG PRGAQGDKSP VEEALIGTPI ADPKRPVEIL RTVHAFDPXI CC ACGVH CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAESKPTPQSTFTGPIVVDPITRIEGHLRIMVEVENGKVKDAWSSSQLFR CC ATOM ----KPTPQSTFTGPIVVDPITRIEGHLRIMVEVENGKVKDAWSSSQLFR CC ********************************************** CC SEQRES GLEIILKGRDPRDAQHFTQRACGICTYVHALASSRCVDDAVKVSIPANAR CC ATOM GLEIILKGRDPRDAQHFTQRACGICTYVHALASSRCVDDAVKVSIPANAR CC ************************************************** CC SEQRES MMRNLVMASQYLHDHLVHFYHFHALDWVDVTAALKADPNKAAKLAASIAP CC ATOM MMRNLVMASQYLHDHLVHFYHFHALDWVDVTAALKADPNKAAKLAASIAP CC ************************************************** CC SEQRES ARPGNSAKALKAVQDKLKAFVESGQLGIFTNAYFLGGHKAYYLPPEVDLI CC ATOM ARPGNSAKALKAVQDKLKAFVESGQLGIFTNAYFLGGHKAYYLPPEVDLI CC ************************************************** CC SEQRES ATAHYLEALHMQVKAASAMAILGGKNPHTQFTVVGGCSNYQGLTKDPLAN CC ATOM ATAHYLEALHMQVKAASAMAILGGKNPHTQFTVVGGCSNYQGLTKDPLAN CC ************************************************** CC SEQRES YLALSKEVCQFVNECYIPDLLAVAGFYKDWGGIGGTSNYLAFGEFATDDS CC ATOM YLALSKEVCQFVNECYIPDLLAVAGFYKDWGGIGGTSNYLAFGEFATDDS CC ************************************************** CC SEQRES SPEKHLATSQFPSGVITGRDLGKVDNVDLGAIYEDVKYSWYAPGGDGKHP CC ATOM SPEKHLATSQFPSGVITGRDLGKVDNVDLGAIYEDVKYSWYAPGGDGKHP CC ************************************************** CC SEQRES YDGVTDPKYTKLDDKDHYSWMKAPRYKGKAMEVGPLARTFIAYAKGQPDF CC ATOM YDGVTDPKYTKLDDKDHYSWMKAPRYKGKAMEVGPLARTFIAYAKGQPDF CC ************************************************** CC SEQRES KKVVDMVLGKLSVPATALHSTLGRTAARGIETAIVCANMEKWIKEMADSG CC ATOM KKVVDMVLGKLSVPATALHSTLGRTAARGIETAIVCANMEKWIKEMADSG CC ************************************************** CC SEQRES AKDNTLCAKWEMPEESKGVGLADAPRGALSHWIRIKGKKIDNFQLVVPST CC ATOM AKDNTLCAKWEMPEESKGVGLADAPRGALSHWIRIKGKKIDNFQLVVPST CC ************************************************** CC SEQRES WNLGPRGAQGDKSPVEEALIGTPIADPKRPVEILRTVHAFDPXIACGVH CC ATOM WNLGPRGAQGDKSPVEEALIGTPIADPKRPVEILRTVHAFDPXIACGVH CC ************************************************* SQ SEQUENCE 549 AA; MW; CN; MAESKPTPQS TFTGPIVVDP ITRIEGHLRI MVEVENGKVK DAWSSSQLFR GLEIILKGRD PRDAQHFTQR ACGICTYVHA LASSRCVDDA VKVSIPANAR MMRNLVMASQ YLHDHLVHFY HFHALDWVDV TAALKADPNK AAKLAASIAP ARPGNSAKAL KAVQDKLKAF VESGQLGIFT NAYFLGGHKA YYLPPEVDLI ATAHYLEALH MQVKAASAMA ILGGKNPHTQ FTVVGGCSNY QGLTKDPLAN YLALSKEVCQ FVNECYIPDL LAVAGFYKDW GGIGGTSNYL AFGEFATDDS SPEKHLATSQ FPSGVITGRD LGKVDNVDLG AIYEDVKYSW YAPGGDGKHP YDGVTDPKYT KLDDKDHYSW MKAPRYKGKA MEVGPLARTF IAYAKGQPDF KKVVDMVLGK LSVPATALHS TLGRTAARGI ETAIVCANME KWIKEMADSG AKDNTLCAKW EMPEESKGVG LADAPRGALS HWIRIKGKKI DNFQLVVPST WNLGPRGAQG DKSPVEEALI GTPIADPKRP VEILRTVHAF DPXIACGVH // ID 3CUSC STANDARD; PRT; 264 AA. DT CONVERTED FROM PDB (SEQRES) 3CUS DE Periplasmic [NiFe] hydrogenase small subunit OS Desulfovibrio fructosovorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.187 FT #SUB 195 195 ALA C 58 58 ALA A Protein B 1 FT #SUB 196 196 SER C 58 58 ALA A Protein S 2 FT #SUB 196 196 SER C 62 62 GLN A Protein B 1 FT #SUB 193 193 PHE C 528 528 LYS Q Protein A 10 FT #SUB 194 194 GLU C 528 528 LYS Q Protein B 2 FT #SUB 196 196 SER C 181 181 ASN Q Protein B 1 FT #SUB 214 214 TYR C 526 526 ASP Q Protein S 5 FT #SUB 214 214 TYR C 529 529 ARG Q Protein S 1 FT #SUB 215 215 GLU C 185 185 LEU Q Protein S 4 FT #SUB 215 215 GLU C 186 186 GLY Q Protein A 3 FT #SUB 256 256 THR C 189 189 LYS Q Protein B 1 FT #SUB 262 262 GLU C 135 135 LYS Q Protein S 3 FT #SUB 262 262 GLU C 186 186 GLY Q Protein A 3 FT #SUB 263 263 GLN C 186 186 GLY Q Protein B 1 FT #SUB 263 263 GLN C 187 187 GLY Q Protein S 1 FT #SUB 263 263 GLN C 189 189 LYS Q Protein B 2 FT #SUB 263 263 GLN C 529 529 ARG Q Protein S 2 FT #SUB 264 264 GLY C 187 187 GLY Q Protein B 1 FT #SUB 264 264 GLY C 188 188 HIS Q Protein B 4 FT #SUB 264 264 GLY C 189 189 LYS Q Protein B 4 FT #SUB 99 99 LYS C 303 303 GLU R Protein S 3 FT #SUB 103 103 ALA C 467 467 LYS R Protein B 1 FT #SUB 131 131 LYS C 326 326 ASN R Protein S 1 FT #SUB 134 134 SER C 328 328 ASP R Protein A 12 FT #SUB 135 135 GLU C 326 326 ASN R Protein S 5 FT #SUB 135 135 GLU C 327 327 VAL R Protein B 1 FT #SUB 135 135 GLU C 328 328 ASP R Protein B 1 FT #SUB 136 136 ALA C 303 303 GLU R Protein B 1 FT #SUB 138 138 GLY C 329 329 LEU R Protein B 3 FT #SUB 138 138 GLY C 330 330 GLY R Protein B 2 FT #SUB 140 140 LYS C 330 330 GLY R Protein A 4 FT #SUB 171 171 GLU C 377 377 LYS R Protein A 4 FT #SUB 5 5 HIS C 175 175 GLN S Protein A 7 FT #SUB 6 6 ARG C 170 170 PHE S Protein S 3 FT #SUB 6 6 ARG C 173 173 SER S Protein S 1 FT #SUB 6 6 ARG C 175 175 GLN S Protein A 9 FT #SUB 13 13 HIS C 27 27 HIS S Protein A 6 FT #SUB 14 14 ASN C 27 27 HIS S Protein B 3 FT #SUB 14 14 ASN C 48 48 LEU S Protein B 1 FT #SUB 15 15 ALA C 48 48 LEU S Protein A 2 FT #SUB 16 16 GLU C 27 27 HIS S Protein S 2 FT #SUB 16 16 GLU C 50 50 ARG S Protein B 1 FT #SUB 16 16 GLU C 545 545 ALA S Protein B 1 FT #SUB 17 17 CYS C 25 25 GLU S Protein B 3 FT #SUB 17 17 CYS C 50 50 ARG S Protein S 1 FT #SUB 17 17 CYS C 70 70 ARG S Protein S 1 FT #SUB 17 17 CYS C 72 72 CYS S Protein A 3 FT #SUB 17 17 CYS C 73 73 GLY S Protein A 6 FT #SUB 17 17 CYS C 74 74 ILE S Protein B 1 FT #SUB 17 17 CYS C 228 228 HIS S Protein S 2 FT #SUB 18 18 THR C 25 25 GLU S Protein S 5 FT #SUB 19 19 GLY C 73 73 GLY S Protein B 2 FT #SUB 19 19 GLY C 227 227 PRO S Protein B 1 FT #SUB 22 22 GLU C 73 73 GLY S Protein S 3 FT #SUB 22 22 GLU C 74 74 ILE S Protein S 5 FT #SUB 22 22 GLU C 113 113 HIS S Protein S 1 FT #SUB 22 22 GLU C 227 227 PRO S Protein S 1 FT #SUB 23 23 ALA C 227 227 PRO S Protein B 3 FT #SUB 25 25 ILE C 212 212 GLN S Protein A 5 FT #SUB 25 25 ILE C 213 213 VAL S Protein B 1 FT #SUB 26 26 ARG C 113 113 HIS S Protein S 6 FT #SUB 26 26 ARG C 212 212 GLN S Protein S 3 FT #SUB 26 26 ARG C 216 216 ALA S Protein S 2 FT #SUB 26 26 ARG C 226 226 ASN S Protein S 5 FT #SUB 28 28 ILE C 213 213 VAL S Protein S 1 FT #SUB 31 31 TYR C 210 210 HIS S Protein S 15 FT #SUB 31 31 TYR C 213 213 VAL S Protein S 2 FT #SUB 33 33 ASP C 209 209 LEU S Protein S 1 FT #SUB 33 33 ASP C 210 210 HIS S Protein S 7 FT #SUB 36 36 ILE C 170 170 PHE S Protein B 1 FT #SUB 37 37 LEU C 166 166 LYS S Protein S 1 FT #SUB 37 37 LEU C 170 170 PHE S Protein S 4 FT #SUB 41 41 SER C 175 175 GLN S Protein S 6 FT #SUB 42 42 LEU C 177 177 GLY S Protein B 3 FT #SUB 42 42 LEU C 178 178 ILE S Protein B 2 FT #SUB 43 43 ASP C 177 177 GLY S Protein S 1 FT #SUB 44 44 TYR C 20 20 PRO S Protein S 1 FT #SUB 46 46 GLU C 22 22 THR S Protein B 4 FT #SUB 46 46 GLU C 23 23 ARG S Protein B 2 FT #SUB 46 46 GLU C 27 27 HIS S Protein S 2 FT #SUB 47 47 THR C 23 23 ARG S Protein B 6 FT #SUB 47 47 THR C 24 24 ILE S Protein S 1 FT #SUB 47 47 THR C 122 122 PHE S Protein A 4 FT #SUB 48 48 ILE C 23 23 ARG S Protein B 4 FT #SUB 48 48 ILE C 178 178 ILE S Protein S 2 FT #SUB 49 49 MET C 22 22 THR S Protein A 3 FT #SUB 49 49 MET C 23 23 ARG S Protein B 4 FT #SUB 49 49 MET C 178 178 ILE S Protein A 4 FT #SUB 50 50 ALA C 23 23 ARG S Protein B 5 FT #SUB 50 50 ALA C 178 178 ILE S Protein A 4 FT #SUB 50 50 ALA C 182 182 ALA S Protein S 2 FT #SUB 51 51 ALA C 22 22 THR S Protein B 4 FT #SUB 51 51 ALA C 180 180 THR S Protein S 1 FT #SUB 51 51 ALA C 181 181 ASN S Protein A 3 FT #SUB 52 52 ALA C 20 20 PRO S Protein A 3 FT #SUB 52 52 ALA C 22 22 THR S Protein A 3 FT #SUB 52 52 ALA C 183 183 TYR S Protein A 4 FT #SUB 52 52 ALA C 534 534 LEU S Protein S 1 FT #SUB 53 53 GLY C 18 18 VAL S Protein B 2 FT #SUB 53 53 GLY C 19 19 ASP S Protein B 5 FT #SUB 53 53 GLY C 20 20 PRO S Protein B 6 FT #SUB 55 55 ALA C 181 181 ASN S Protein A 6 FT #SUB 58 58 ALA C 181 181 ASN S Protein A 2 FT #SUB 59 59 ALA C 181 181 ASN S Protein A 3 FT #SUB 62 62 GLN C 180 180 THR S Protein S 1 FT #SUB 85 85 GLN C 359 359 TYR S Protein A 5 FT #SUB 86 86 TRP C 47 47 GLN S Protein B 2 FT #SUB 86 86 TRP C 48 48 LEU S Protein B 3 FT #SUB 86 86 TRP C 49 49 PHE S Protein A 3 FT #SUB 86 86 TRP C 357 357 PRO S Protein S 4 FT #SUB 86 86 TRP C 359 359 TYR S Protein S 1 FT #SUB 86 86 TRP C 370 370 TRP S Protein A 9 FT #SUB 87 87 GLY C 47 47 GLN S Protein B 3 FT #SUB 87 87 GLY C 48 48 LEU S Protein B 1 FT #SUB 88 88 MET C 47 47 GLN S Protein A 4 FT #SUB 88 88 MET C 359 359 TYR S Protein S 1 FT #SUB 89 89 VAL C 27 27 HIS S Protein S 2 FT #SUB 90 90 ALA C 19 19 ASP S Protein A 8 FT #SUB 91 91 GLY C 19 19 ASP S Protein B 1 FT #SUB 91 91 GLY C 362 362 LEU S Protein B 1 FT #SUB 94 94 MET C 27 27 HIS S Protein S 4 FT #SUB 120 120 VAL C 52 52 LEU S Protein S 1 FT #SUB 120 120 VAL C 55 55 ILE S Protein B 1 FT #SUB 120 120 VAL C 67 67 PHE S Protein S 1 FT #SUB 121 121 GLN C 50 50 ARG S Protein S 3 FT #SUB 121 121 GLN C 55 55 ILE S Protein B 2 FT #SUB 123 123 ALA C 55 55 ILE S Protein A 3 FT #SUB 123 123 ALA C 59 59 ARG S Protein A 2 FT #SUB 123 123 ALA C 67 67 PHE S Protein S 1 FT #SUB 124 124 LYS C 55 55 ILE S Protein B 6 FT #SUB 124 124 LYS C 59 59 ARG S Protein A 6 FT #SUB 125 125 PRO C 54 54 ILE S Protein S 2 FT #SUB 125 125 PRO C 55 55 ILE S Protein S 1 FT #SUB 127 127 PRO C 50 50 ARG S Protein S 1 FT #SUB 147 147 CYS C 70 70 ARG S Protein A 6 FT #SUB 147 147 CYS C 225 225 LYS S Protein B 1 FT #SUB 147 147 CYS C 228 228 HIS S Protein B 4 FT #SUB 148 148 PRO C 227 227 PRO S Protein S 4 FT #SUB 148 148 PRO C 228 228 HIS S Protein S 1 FT #SUB 202 202 PHE C 233 233 VAL S Protein S 3 FT #SUB 202 202 PHE C 240 240 TYR S Protein B 4 FT #SUB 203 203 ASP C 240 240 TYR S Protein B 2 FT #SUB 203 203 ASP C 457 457 CYS S Protein S 1 FT #SUB 203 203 ASP C 459 459 LYS S Protein S 5 FT #SUB 208 208 LYS C 240 240 TYR S Protein A 6 FT #SUB 208 208 LYS C 454 454 ASN S Protein S 3 FT #SUB 232 232 PHE C 225 225 LYS S Protein S 4 FT #SUB 233 233 ASN C 216 216 ALA S Protein S 1 FT #SUB 233 233 ASN C 217 217 SER S Protein A 5 FT #SUB 233 233 ASN C 220 220 ALA S Protein S 3 FT #SUB 233 233 ASN C 225 225 LYS S Protein S 2 FT #SUB 233 233 ASN C 226 226 ASN S Protein S 11 FT #SUB 235 235 VAL C 217 217 SER S Protein S 1 FT #SUB 235 235 VAL C 220 220 ALA S Protein S 1 FT #SUB 235 235 VAL C 221 221 ILE S Protein S 1 FT #SUB 236 236 ASN C 220 220 ALA S Protein S 3 FT #SUB 236 236 ASN C 221 221 ILE S Protein S 2 FT #SUB 236 236 ASN C 224 224 GLY S Protein A 9 FT #SUB 237 237 TRP C 224 224 GLY S Protein B 4 FT #SUB 238 238 PRO C 224 224 GLY S Protein B 1 FT #SUB 238 238 PRO C 225 225 LYS S Protein S 2 FT #SUB 238 238 PRO C 230 230 GLN S Protein S 6 FT #SUB 240 240 GLN C 241 241 GLN S Protein S 4 FT #SUB 241 241 ALA C 224 224 GLY S Protein S 1 FT #SUB 241 241 ALA C 238 238 SER S Protein B 5 FT #SUB 241 241 ALA C 239 239 ASN S Protein B 5 FT #SUB 242 242 GLY C 238 238 SER S Protein B 5 FT #SUB 243 243 HIS C 66 66 HIS S Protein S 4 FT #SUB 243 243 HIS C 230 230 GLN S Protein S 6 FT #SUB 243 243 HIS C 232 232 THR S Protein S 2 FT #SUB 243 243 HIS C 233 233 VAL S Protein S 1 FT #SUB 243 243 HIS C 238 238 SER S Protein A 2 FT #SUB 244 244 PRO C 230 230 GLN S Protein B 2 FT #SUB 245 245 CYS C 230 230 GLN S Protein B 1 FT #SUB 246 246 LEU C 66 66 HIS S Protein S 2 FT #SUB 246 246 LEU C 230 230 GLN S Protein A 6 FT #SUB 254 254 TRP C 59 59 ARG S Protein B 1 FT #SUB 254 254 TRP C 66 66 HIS S Protein S 3 FT #SUB 254 254 TRP C 67 67 PHE S Protein A 10 FT #SUB 254 254 TRP C 70 70 ARG S Protein S 4 FT #SUB 255 255 ASP C 59 59 ARG S Protein S 4 FT #SUB 258 258 THR C 59 59 ARG S Protein S 1 FT #SUB 258 258 THR C 63 63 ASP S Protein S 2 FT #SUB 259 259 PRO C 60 60 ASP S Protein S 1 FT #SUB 259 259 PRO C 63 63 ASP S Protein A 3 FT #SUB 260 260 PHE C 63 63 ASP S Protein A 7 FT #SUB 260 260 PHE C 66 66 HIS S Protein S 3 FT #SUB 261 261 TYR C 62 62 ARG S Protein S 3 FT #SUB 261 261 TYR C 65 65 GLN S Protein S 1 FT #SUB 261 261 TYR C 66 66 HIS S Protein S 5 FT #SUB 261 261 TYR C 232 232 THR S Protein S 1 FT #SUB 262 262 GLU C 62 62 ARG S Protein S 3 FT #HET 16 16 GLU C 19 267 SF4 C A 2 FT #HET 17 17 CYS C 19 267 SF4 C A 6 FT #HET 19 19 GLY C 19 267 SF4 C B 2 FT #HET 20 20 CYS C 19 267 SF4 C A 5 FT #HET 112 112 GLY C 19 267 SF4 C B 2 FT #HET 113 113 THR C 19 267 SF4 C B 1 FT #HET 114 114 CYS C 19 267 SF4 C A 5 FT #HET 146 146 GLY C 19 267 SF4 C B 1 FT #HET 147 147 CYS C 19 267 SF4 C A 8 FT #HET 148 148 PRO C 19 267 SF4 C A 4 FT #HET 184 184 HIS C 17 265 SF4 C A 12 FT #HET 187 187 CYS C 17 265 SF4 C S 6 FT #HET 189 189 ARG C 17 265 SF4 C A 3 FT #HET 190 190 LEU C 17 265 SF4 C B 2 FT #HET 193 193 PHE C 17 265 SF4 C S 2 FT #HET 198 198 PHE C 9 562 GOL Q S 5 FT #HET 212 212 CYS C 17 265 SF4 C A 5 FT #HET 213 213 LEU C 17 265 SF4 C A 3 FT #HET 214 214 TYR C 17 265 SF4 C S 2 FT #HET 218 218 CYS C 17 265 SF4 C S 6 FT #HET 220 220 GLY C 17 265 SF4 C B 1 FT #HET 221 221 PRO C 17 265 SF4 C S 2 FT #HET 223 223 THR C 18 266 F3S C S 1 FT #HET 225 225 ASN C 18 266 F3S C S 2 FT #HET 227 227 CYS C 18 266 F3S C S 6 FT #HET 232 232 PHE C 18 266 F3S C S 2 FT #HET 237 237 TRP C 18 266 F3S C S 2 FT #HET 238 238 PRO C 18 266 F3S C S 2 FT #HET 239 239 VAL C 17 265 SF4 C S 1 FT #HET 245 245 CYS C 18 266 F3S C A 8 FT #HET 246 246 LEU C 18 266 F3S C A 4 FT #HET 247 247 GLY C 18 266 F3S C B 1 FT #HET 248 248 CYS C 18 266 F3S C A 8 FT DISORDER 1 4 CC SEQUENCE 260 AA (ATOM); CC HRPSVVWLHN AECTGCTEAA IRTIKPYIDA LILDTISLDY QETIMAAAGE AAEAALHQAL CC EGKDGYYLVV EGGLPTIDGG QWGMVAGHPM IETTKKAAAK AKGIICIGTC SAYGGVQKAK CC PNPSQAKGVS EALGVKTINI PGCPPNPINF VGAVVHVLTK GIPDLDENGR PKLFYGELVH CC DNCPRLPHFE ASEFAPSFDS EEAKKGFCLY ELGCKGPVTY NNCPKVLFNQ VNWPVQAGHP CC CLGCSEPDFW DTMTPFYEQG CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES LTAKHRPSVVWLHNAECTGCTEAAIRTIKPYIDALILDTISLDYQETIMA CC ATOM ----HRPSVVWLHNAECTGCTEAAIRTIKPYIDALILDTISLDYQETIMA CC ********************************************** CC SEQRES AAGEAAEAALHQALEGKDGYYLVVEGGLPTIDGGQWGMVAGHPMIETTKK CC ATOM AAGEAAEAALHQALEGKDGYYLVVEGGLPTIDGGQWGMVAGHPMIETTKK CC ************************************************** CC SEQRES AAAKAKGIICIGTCSAYGGVQKAKPNPSQAKGVSEALGVKTINIPGCPPN CC ATOM AAAKAKGIICIGTCSAYGGVQKAKPNPSQAKGVSEALGVKTINIPGCPPN CC ************************************************** CC SEQRES PINFVGAVVHVLTKGIPDLDENGRPKLFYGELVHDNCPRLPHFEASEFAP CC ATOM PINFVGAVVHVLTKGIPDLDENGRPKLFYGELVHDNCPRLPHFEASEFAP CC ************************************************** CC SEQRES SFDSEEAKKGFCLYELGCKGPVTYNNCPKVLFNQVNWPVQAGHPCLGCSE CC ATOM SFDSEEAKKGFCLYELGCKGPVTYNNCPKVLFNQVNWPVQAGHPCLGCSE CC ************************************************** CC SEQRES PDFWDTMTPFYEQG CC ATOM PDFWDTMTPFYEQG CC ************** SQ SEQUENCE 264 AA; MW; CN; LTAKHRPSVV WLHNAECTGC TEAAIRTIKP YIDALILDTI SLDYQETIMA AAGEAAEAAL HQALEGKDGY YLVVEGGLPT IDGGQWGMVA GHPMIETTKK AAAKAKGIIC IGTCSAYGGV QKAKPNPSQA KGVSEALGVK TINIPGCPPN PINFVGAVVH VLTKGIPDLD ENGRPKLFYG ELVHDNCPRL PHFEASEFAP SFDSEEAKKG FCLYELGCKG PVTYNNCPKV LFNQVNWPVQ AGHPCLGCSE PDFWDTMTPF YEQG // ID 3CUSS STANDARD; PRT; 549 AA. DT CONVERTED FROM PDB (SEQRES) 3CUS DE Periplasmic [NiFe] hydrogenase large subunit OS Desulfovibrio fructosovorans CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.187 FT #SUB 461 461 GLU S 168 168 LYS Q Protein S 3 FT #SUB 464 464 GLU S 137 137 ASP Q Protein S 2 FT #SUB 464 464 GLU S 140 140 LYS Q Protein S 4 FT #SUB 487 487 GLY S 140 140 LYS Q Protein B 1 FT #SUB 488 488 LYS S 135 135 LYS Q Protein S 4 FT #SUB 18 18 VAL S 53 53 GLY C Protein S 2 FT #SUB 19 19 ASP S 53 53 GLY C Protein B 5 FT #SUB 19 19 ASP S 90 90 ALA C Protein A 8 FT #SUB 19 19 ASP S 91 91 GLY C Protein S 1 FT #SUB 20 20 PRO S 44 44 TYR C Protein S 1 FT #SUB 20 20 PRO S 52 52 ALA C Protein B 3 FT #SUB 20 20 PRO S 53 53 GLY C Protein A 6 FT #SUB 22 22 THR S 46 46 GLU C Protein A 4 FT #SUB 22 22 THR S 49 49 MET C Protein S 3 FT #SUB 22 22 THR S 51 51 ALA C Protein S 4 FT #SUB 22 22 THR S 52 52 ALA C Protein S 3 FT #SUB 23 23 ARG S 46 46 GLU C Protein B 2 FT #SUB 23 23 ARG S 47 47 THR C Protein A 6 FT #SUB 23 23 ARG S 48 48 ILE C Protein S 4 FT #SUB 23 23 ARG S 49 49 MET C Protein S 4 FT #SUB 23 23 ARG S 50 50 ALA C Protein S 5 FT #SUB 24 24 ILE S 47 47 THR C Protein B 1 FT #SUB 25 25 GLU S 17 17 CYS C Protein S 3 FT #SUB 25 25 GLU S 18 18 THR C Protein S 5 FT #SUB 27 27 HIS S 13 13 HIS C Protein S 6 FT #SUB 27 27 HIS S 14 14 ASN C Protein S 3 FT #SUB 27 27 HIS S 16 16 GLU C Protein S 2 FT #SUB 27 27 HIS S 46 46 GLU C Protein S 2 FT #SUB 27 27 HIS S 89 89 VAL C Protein S 2 FT #SUB 27 27 HIS S 94 94 MET C Protein S 4 FT #SUB 47 47 GLN S 86 86 TRP C Protein B 2 FT #SUB 47 47 GLN S 87 87 GLY C Protein B 3 FT #SUB 47 47 GLN S 88 88 MET C Protein A 4 FT #SUB 48 48 LEU S 14 14 ASN C Protein S 1 FT #SUB 48 48 LEU S 15 15 ALA C Protein S 2 FT #SUB 48 48 LEU S 86 86 TRP C Protein A 3 FT #SUB 48 48 LEU S 87 87 GLY C Protein S 1 FT #SUB 49 49 PHE S 86 86 TRP C Protein A 3 FT #SUB 50 50 ARG S 16 16 GLU C Protein S 1 FT #SUB 50 50 ARG S 17 17 CYS C Protein S 1 FT #SUB 50 50 ARG S 121 121 GLN C Protein S 3 FT #SUB 50 50 ARG S 127 127 PRO C Protein B 1 FT #SUB 52 52 LEU S 120 120 VAL C Protein S 1 FT #SUB 54 54 ILE S 125 125 PRO C Protein A 2 FT #SUB 55 55 ILE S 120 120 VAL C Protein S 1 FT #SUB 55 55 ILE S 121 121 GLN C Protein S 2 FT #SUB 55 55 ILE S 123 123 ALA C Protein S 3 FT #SUB 55 55 ILE S 124 124 LYS C Protein A 6 FT #SUB 55 55 ILE S 125 125 PRO C Protein B 1 FT #SUB 59 59 ARG S 123 123 ALA C Protein S 2 FT #SUB 59 59 ARG S 124 124 LYS C Protein S 6 FT #SUB 59 59 ARG S 254 254 TRP C Protein S 1 FT #SUB 59 59 ARG S 255 255 ASP C Protein S 4 FT #SUB 59 59 ARG S 258 258 THR C Protein S 1 FT #SUB 60 60 ASP S 259 259 PRO C Protein S 1 FT #SUB 62 62 ARG S 261 261 TYR C Protein A 3 FT #SUB 62 62 ARG S 262 262 GLU C Protein S 3 FT #SUB 63 63 ASP S 258 258 THR C Protein S 2 FT #SUB 63 63 ASP S 259 259 PRO C Protein S 3 FT #SUB 63 63 ASP S 260 260 PHE C Protein S 7 FT #SUB 65 65 GLN S 261 261 TYR C Protein S 1 FT #SUB 66 66 HIS S 243 243 HIS C Protein S 4 FT #SUB 66 66 HIS S 246 246 LEU C Protein S 2 FT #SUB 66 66 HIS S 254 254 TRP C Protein B 3 FT #SUB 66 66 HIS S 260 260 PHE C Protein S 3 FT #SUB 66 66 HIS S 261 261 TYR C Protein S 5 FT #SUB 67 67 PHE S 120 120 VAL C Protein S 1 FT #SUB 67 67 PHE S 123 123 ALA C Protein S 1 FT #SUB 67 67 PHE S 254 254 TRP C Protein A 10 FT #SUB 70 70 ARG S 17 17 CYS C Protein B 1 FT #SUB 70 70 ARG S 147 147 CYS C Protein S 6 FT #SUB 70 70 ARG S 254 254 TRP C Protein S 4 FT #SUB 72 72 CYS S 17 17 CYS C Protein B 3 FT #SUB 73 73 GLY S 17 17 CYS C Protein B 6 FT #SUB 73 73 GLY S 19 19 GLY C Protein B 2 FT #SUB 73 73 GLY S 22 22 GLU C Protein B 3 FT #SUB 74 74 ILE S 17 17 CYS C Protein B 1 FT #SUB 74 74 ILE S 22 22 GLU C Protein A 5 FT #SUB 113 113 HIS S 22 22 GLU C Protein S 1 FT #SUB 113 113 HIS S 26 26 ARG C Protein S 6 FT #SUB 122 122 PHE S 47 47 THR C Protein S 4 FT #SUB 166 166 LYS S 37 37 LEU C Protein S 1 FT #SUB 170 170 PHE S 6 6 ARG C Protein S 3 FT #SUB 170 170 PHE S 36 36 ILE C Protein S 1 FT #SUB 170 170 PHE S 37 37 LEU C Protein S 4 FT #SUB 173 173 SER S 6 6 ARG C Protein S 1 FT #SUB 175 175 GLN S 5 5 HIS C Protein S 7 FT #SUB 175 175 GLN S 6 6 ARG C Protein A 9 FT #SUB 175 175 GLN S 41 41 SER C Protein S 6 FT #SUB 177 177 GLY S 42 42 LEU C Protein B 3 FT #SUB 177 177 GLY S 43 43 ASP C Protein B 1 FT #SUB 178 178 ILE S 42 42 LEU C Protein A 2 FT #SUB 178 178 ILE S 48 48 ILE C Protein S 2 FT #SUB 178 178 ILE S 49 49 MET C Protein A 4 FT #SUB 178 178 ILE S 50 50 ALA C Protein B 4 FT #SUB 180 180 THR S 51 51 ALA C Protein B 1 FT #SUB 180 180 THR S 62 62 GLN C Protein S 1 FT #SUB 181 181 ASN S 51 51 ALA C Protein B 3 FT #SUB 181 181 ASN S 55 55 ALA C Protein A 6 FT #SUB 181 181 ASN S 58 58 ALA C Protein S 2 FT #SUB 181 181 ASN S 59 59 ALA C Protein S 3 FT #SUB 182 182 ALA S 50 50 ALA C Protein A 2 FT #SUB 183 183 TYR S 52 52 ALA C Protein S 4 FT #SUB 209 209 LEU S 33 33 ASP C Protein S 1 FT #SUB 210 210 HIS S 31 31 TYR C Protein S 15 FT #SUB 210 210 HIS S 33 33 ASP C Protein S 7 FT #SUB 212 212 GLN S 25 25 ILE C Protein S 5 FT #SUB 212 212 GLN S 26 26 ARG C Protein S 3 FT #SUB 213 213 VAL S 25 25 ILE C Protein S 1 FT #SUB 213 213 VAL S 28 28 ILE C Protein S 1 FT #SUB 213 213 VAL S 31 31 TYR C Protein S 2 FT #SUB 216 216 ALA S 26 26 ARG C Protein S 2 FT #SUB 216 216 ALA S 233 233 ASN C Protein S 1 FT #SUB 217 217 SER S 233 233 ASN C Protein A 5 FT #SUB 217 217 SER S 235 235 VAL C Protein B 1 FT #SUB 220 220 ALA S 233 233 ASN C Protein S 3 FT #SUB 220 220 ALA S 235 235 VAL C Protein S 1 FT #SUB 220 220 ALA S 236 236 ASN C Protein B 3 FT #SUB 221 221 ILE S 235 235 VAL C Protein B 1 FT #SUB 221 221 ILE S 236 236 ASN C Protein B 2 FT #SUB 224 224 GLY S 236 236 ASN C Protein B 9 FT #SUB 224 224 GLY S 237 237 TRP C Protein B 4 FT #SUB 224 224 GLY S 238 238 PRO C Protein B 1 FT #SUB 224 224 GLY S 241 241 ALA C Protein B 1 FT #SUB 225 225 LYS S 147 147 CYS C Protein S 1 FT #SUB 225 225 LYS S 232 232 PHE C Protein S 4 FT #SUB 225 225 LYS S 233 233 ASN C Protein B 2 FT #SUB 225 225 LYS S 238 238 PRO C Protein S 2 FT #SUB 226 226 ASN S 26 26 ARG C Protein S 5 FT #SUB 226 226 ASN S 233 233 ASN C Protein A 11 FT #SUB 227 227 PRO S 19 19 GLY C Protein S 1 FT #SUB 227 227 PRO S 22 22 GLU C Protein S 1 FT #SUB 227 227 PRO S 23 23 ALA C Protein S 3 FT #SUB 227 227 PRO S 148 148 PRO C Protein A 4 FT #SUB 228 228 HIS S 17 17 CYS C Protein S 2 FT #SUB 228 228 HIS S 147 147 CYS C Protein S 4 FT #SUB 228 228 HIS S 148 148 PRO C Protein S 1 FT #SUB 230 230 GLN S 238 238 PRO C Protein S 6 FT #SUB 230 230 GLN S 243 243 HIS C Protein A 6 FT #SUB 230 230 GLN S 244 244 PRO C Protein S 2 FT #SUB 230 230 GLN S 245 245 CYS C Protein S 1 FT #SUB 230 230 GLN S 246 246 LEU C Protein S 6 FT #SUB 232 232 THR S 243 243 HIS C Protein B 2 FT #SUB 232 232 THR S 261 261 TYR C Protein B 1 FT #SUB 233 233 VAL S 202 202 PHE C Protein S 3 FT #SUB 233 233 VAL S 243 243 HIS C Protein S 1 FT #SUB 238 238 SER S 241 241 ALA C Protein A 5 FT #SUB 238 238 SER S 242 242 GLY C Protein A 5 FT #SUB 238 238 SER S 243 243 HIS C Protein S 2 FT #SUB 239 239 ASN S 241 241 ALA C Protein A 5 FT #SUB 240 240 TYR S 202 202 PHE C Protein S 4 FT #SUB 240 240 TYR S 203 203 ASP C Protein S 2 FT #SUB 240 240 TYR S 208 208 LYS C Protein S 6 FT #SUB 241 241 GLN S 240 240 GLN C Protein S 4 FT #SUB 357 357 PRO S 86 86 TRP C Protein S 4 FT #SUB 359 359 TYR S 85 85 GLN C Protein S 5 FT #SUB 359 359 TYR S 86 86 TRP C Protein S 1 FT #SUB 359 359 TYR S 88 88 MET C Protein S 1 FT #SUB 362 362 LEU S 91 91 GLY C Protein S 1 FT #SUB 370 370 TRP S 86 86 TRP C Protein S 9 FT #SUB 454 454 ASN S 208 208 LYS C Protein S 3 FT #SUB 457 457 CYS S 203 203 ASP C Protein B 1 FT #SUB 459 459 LYS S 203 203 ASP C Protein S 5 FT #SUB 534 534 LEU S 52 52 ALA C Protein S 1 FT #SUB 545 545 ALA S 16 16 GLU C Protein S 1 FT #HET 53 53 GLU S 21 553 MG S S 3 FT #HET 70 70 ARG S 19 267 SF4 C S 1 FT #HET 72 72 CYS S 20 551 NI S S 2 FT #HET 75 75 CYS S 20 551 NI S A 4 FT #HET 75 75 CYS S 22 550 FCO S S 7 FT #HET 78 78 VAL S 22 550 FCO S S 2 FT #HET 79 79 HIS S 22 550 FCO S S 3 FT #HET 100 100 ARG S 23 561 GOL S S 6 FT #HET 104 104 ASN S 23 561 GOL S S 6 FT #HET 225 225 LYS S 18 266 F3S C S 1 FT #HET 228 228 HIS S 19 267 SF4 C S 2 FT #HET 230 230 GLN S 18 266 F3S C S 2 FT #HET 295 295 PHE S 23 561 GOL S A 6 FT #HET 296 296 ALA S 23 561 GOL S B 5 FT #HET 297 297 THR S 23 561 GOL S A 2 FT #HET 310 310 GLN S 23 561 GOL S S 1 FT #HET 442 442 TRP S 23 561 GOL S S 3 FT #HET 445 445 GLU S 23 561 GOL S S 5 FT #HET 474 474 ALA S 22 550 FCO S S 3 FT #HET 475 475 PRO S 22 550 FCO S A 4 FT #HET 476 476 ARG S 22 550 FCO S A 15 FT #HET 479 479 LEU S 22 550 FCO S S 3 FT #HET 495 495 LEU S 21 553 MG S B 4 FT #HET 497 497 VAL S 22 550 FCO S S 4 FT #HET 498 498 PRO S 22 550 FCO S A 8 FT #HET 499 499 SER S 22 550 FCO S A 5 FT #HET 543 543 CSO S 20 551 NI S S 3 FT #HET 543 543 CSO S 22 550 FCO S S 2 FT #HET 546 546 CYS S 20 551 NI S S 2 FT #HET 546 546 CYS S 22 550 FCO S S 8 FT #HET 549 549 HIS S 21 553 MG S S 3 FT DISORDER 1 5 CC SEQUENCE 544 AA (ATOM); CC PTPQSTFTGP IVVDPITRIE GHLRIMVEVE NGKVKDAWSS SQLFRGLEII LKGRDPRDAQ CC HFTQRACGIC TYVHALASSR CVDDAVKVSI PANARMMRNL VMASQYLHDH LVHFYHFHAL CC DWVDVTAALK ADPNKAAKLA ASIAPARPGN SAKALKAVQD KLKAFVESGQ LGIFTNAYFL CC GGHKAYYLPP EVDLIATAHY LEALHMQVKA ASAMAILGGK NPHTQFTVVG GCSNYQGLTK CC DPLANYLALS KEVCQFVNEC YIPDLLAVAG FYKDWGGIGG TSNYLAFGEF ATDDSSPEKH CC LATSQFPSGV ITGRDLGKVD NVDLGAIYED VKYSWYAPGG DGKHPYDGVT DPKYTKLDDK CC DHYSWMKAPR YKGKAMEVGP LARTFIAYAK GQPDFKKVVD MVLGKLSVPA TALHSTLGRT CC AARGIETAIV CANMEKWIKE MADSGAKDNT LCAKWEMPEE SKGVGLADAP RGALSHWIRI CC KGKKIDNFQL VVPSTWNLGP RGAQGDKSPV EEALIGTPIA DPKRPVEILR TVHAFDPXIA CC CGVH CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MAESKPTPQSTFTGPIVVDPITRIEGHLRIMVEVENGKVKDAWSSSQLFR CC ATOM -----PTPQSTFTGPIVVDPITRIEGHLRIMVEVENGKVKDAWSSSQLFR CC ********************************************* CC SEQRES GLEIILKGRDPRDAQHFTQRACGICTYVHALASSRCVDDAVKVSIPANAR CC ATOM GLEIILKGRDPRDAQHFTQRACGICTYVHALASSRCVDDAVKVSIPANAR CC ************************************************** CC SEQRES MMRNLVMASQYLHDHLVHFYHFHALDWVDVTAALKADPNKAAKLAASIAP CC ATOM MMRNLVMASQYLHDHLVHFYHFHALDWVDVTAALKADPNKAAKLAASIAP CC ************************************************** CC SEQRES ARPGNSAKALKAVQDKLKAFVESGQLGIFTNAYFLGGHKAYYLPPEVDLI CC ATOM ARPGNSAKALKAVQDKLKAFVESGQLGIFTNAYFLGGHKAYYLPPEVDLI CC ************************************************** CC SEQRES ATAHYLEALHMQVKAASAMAILGGKNPHTQFTVVGGCSNYQGLTKDPLAN CC ATOM ATAHYLEALHMQVKAASAMAILGGKNPHTQFTVVGGCSNYQGLTKDPLAN CC ************************************************** CC SEQRES YLALSKEVCQFVNECYIPDLLAVAGFYKDWGGIGGTSNYLAFGEFATDDS CC ATOM YLALSKEVCQFVNECYIPDLLAVAGFYKDWGGIGGTSNYLAFGEFATDDS CC ************************************************** CC SEQRES SPEKHLATSQFPSGVITGRDLGKVDNVDLGAIYEDVKYSWYAPGGDGKHP CC ATOM SPEKHLATSQFPSGVITGRDLGKVDNVDLGAIYEDVKYSWYAPGGDGKHP CC ************************************************** CC SEQRES YDGVTDPKYTKLDDKDHYSWMKAPRYKGKAMEVGPLARTFIAYAKGQPDF CC ATOM YDGVTDPKYTKLDDKDHYSWMKAPRYKGKAMEVGPLARTFIAYAKGQPDF CC ************************************************** CC SEQRES KKVVDMVLGKLSVPATALHSTLGRTAARGIETAIVCANMEKWIKEMADSG CC ATOM KKVVDMVLGKLSVPATALHSTLGRTAARGIETAIVCANMEKWIKEMADSG CC ************************************************** CC SEQRES AKDNTLCAKWEMPEESKGVGLADAPRGALSHWIRIKGKKIDNFQLVVPST CC ATOM AKDNTLCAKWEMPEESKGVGLADAPRGALSHWIRIKGKKIDNFQLVVPST CC ************************************************** CC SEQRES WNLGPRGAQGDKSPVEEALIGTPIADPKRPVEILRTVHAFDPXIACGVH CC ATOM WNLGPRGAQGDKSPVEEALIGTPIADPKRPVEILRTVHAFDPXIACGVH CC ************************************************* SQ SEQUENCE 549 AA; MW; CN; MAESKPTPQS TFTGPIVVDP ITRIEGHLRI MVEVENGKVK DAWSSSQLFR GLEIILKGRD PRDAQHFTQR ACGICTYVHA LASSRCVDDA VKVSIPANAR MMRNLVMASQ YLHDHLVHFY HFHALDWVDV TAALKADPNK AAKLAASIAP ARPGNSAKAL KAVQDKLKAF VESGQLGIFT NAYFLGGHKA YYLPPEVDLI ATAHYLEALH MQVKAASAMA ILGGKNPHTQ FTVVGGCSNY QGLTKDPLAN YLALSKEVCQ FVNECYIPDL LAVAGFYKDW GGIGGTSNYL AFGEFATDDS SPEKHLATSQ FPSGVITGRD LGKVDNVDLG AIYEDVKYSW YAPGGDGKHP YDGVTDPKYT KLDDKDHYSW MKAPRYKGKA MEVGPLARTF IAYAKGQPDF KKVVDMVLGK LSVPATALHS TLGRTAARGI ETAIVCANME KWIKEMADSG AKDNTLCAKW EMPEESKGVG LADAPRGALS HWIRIKGKKI DNFQLVVPST WNLGPRGAQG DKSPVEEALI GTPIADPKRP VEILRTVHAF DPXIACGVH //