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2gaa.cif 303 KiB
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Amaury LEROY's avatar
séance 05/02
Amaury LEROY committed
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A 1 72  MET 72  72  72  MET MET A . n 
A 1 73  VAL 73  73  73  VAL VAL A . n 
A 1 74  ASN 74  74  74  ASN ASN A . n 
A 1 75  LEU 75  75  75  LEU LEU A . n 
A 1 76  VAL 76  76  76  VAL VAL A . n 
A 1 77  ASP 77  77  77  ASP ASP A . n 
A 1 78  SER 78  78  78  SER SER A . n 
A 1 79  LEU 79  79  79  LEU LEU A . n 
A 1 80  LYS 80  80  80  LYS LYS A . n 
A 1 81  THR 81  81  81  THR THR A . n 
A 1 82  LEU 82  82  82  LEU LEU A . n 
A 1 83  GLN 83  83  83  GLN GLN A . n 
A 1 84  PRO 84  84  84  PRO PRO A . n 
A 1 85  ASN 85  85  85  ASN ASN A . n 
A 1 86  LYS 86  86  86  LYS LYS A . n 
A 1 87  VAL 87  87  87  VAL VAL A . n 
A 1 88  ALA 88  88  88  ALA ALA A . n 
A 1 89  GLU 89  89  89  GLU GLU A . n 
A 1 90  MET 90  90  90  MET MET A . n 
A 1 91  ILE 91  91  91  ILE ILE A . n 
A 1 92  GLU 92  92  92  GLU GLU A . n 
A 1 93  ASN 93  93  93  ASN ASN A . n 
A 1 94  GLN 94  94  94  GLN GLN A . n 
A 1 95  GLY 95  95  95  GLY GLY A . n 
A 1 96  LEU 96  96  96  LEU LEU A . n 
A 1 97  PHE 97  97  97  PHE PHE A . n 
A 1 98  LYS 98  98  98  LYS LYS A . n 
A 1 99  ASP 99  99  99  ASP ASP A . n 
A 1 100 HIS 100 100 100 HIS HIS A . n 
A 1 101 VAL 101 101 101 VAL VAL A . n 
A 1 102 GLU 102 102 102 GLU GLU A . n 
A 1 103 ASP 103 103 103 ASP ASP A . n 
A 1 104 VAL 104 104 104 VAL VAL A . n 
A 1 105 ASN 105 105 105 ASN ASN A . n 
A 1 106 PHE 106 106 106 PHE PHE A . n 
A 1 107 GLN 107 107 107 GLN GLN A . n 
A 1 108 PRO 108 108 108 PRO PRO A . n 
A 1 109 VAL 109 109 109 VAL VAL A . n 
A 1 110 LYS 110 110 110 LYS LYS A . n 
A 1 111 TYR 111 111 111 TYR TYR A . n 
A 1 112 SER 112 112 112 SER SER A . n 
A 1 113 ALA 113 113 113 ALA ALA A . n 
A 1 114 LEU 114 114 ?   ?   ?   A . n 
A 1 115 THR 115 115 ?   ?   ?   A . n 
A 1 116 SER 116 116 ?   ?   ?   A . n 
A 1 117 ASN 117 117 ?   ?   ?   A . n 
A 1 118 ASN 118 118 ?   ?   ?   A . n 
A 1 119 GLU 119 119 119 GLU GLU A . n 
A 1 120 GLU 120 120 120 GLU GLU A . n 
A 1 121 CME 121 121 121 CME CYB A . n 
A 1 122 THR 122 122 122 THR THR A . n 
A 1 123 ALA 123 123 123 ALA ALA A . n 
A 1 124 VAL 124 124 124 VAL VAL A . n 
A 1 125 VAL 125 125 125 VAL VAL A . n 
A 1 126 ALA 126 126 126 ALA ALA A . n 
A 1 127 ARG 127 127 127 ARG ARG A . n 
A 1 128 GLY 128 128 128 GLY GLY A . n 
A 1 129 GLY 129 129 129 GLY GLY A . n 
A 1 130 THR 130 130 130 THR THR A . n 
A 1 131 ALA 131 131 131 ALA ALA A . n 
A 1 132 ASN 132 132 132 ASN ASN A . n 
A 1 133 ALA 133 133 133 ALA ALA A . n 
A 1 134 ILE 134 134 134 ILE ILE A . n 
A 1 135 ARG 135 135 135 ARG ARG A . n 
A 1 136 ILE 136 136 136 ILE ILE A . n 
A 1 137 ALA 137 137 137 ALA ALA A . n 
A 1 138 ALA 138 138 138 ALA ALA A . n 
A 1 139 VAL 139 139 ?   ?   ?   A . n 
A 1 140 ASP 140 140 ?   ?   ?   A . n 
A 1 141 ASN 141 141 ?   ?   ?   A . n 
A 1 142 PRO 142 142 ?   ?   ?   A . n 
A 1 143 VAL 143 143 ?   ?   ?   A . n 
A 1 144 ASN 144 144 ?   ?   ?   A . n 
A 1 145 VAL 145 145 ?   ?   ?   A . n 
A 1 146 ASN 146 146 ?   ?   ?   A . n 
A 1 147 LYS 147 147 ?   ?   ?   A . n 
A 1 148 LEU 148 148 ?   ?   ?   A . n 
A 1 149 ALA 149 149 ?   ?   ?   A . n 
A 1 150 GLN 150 150 ?   ?   ?   A . n 
A 1 151 ASP 151 151 ?   ?   ?   A . n 
A 1 152 SER 152 152 152 SER SER A . n 
A 1 153 ILE 153 153 153 ILE ILE A . n 
A 1 154 ASN 154 154 154 ASN ASN A . n 
A 1 155 ILE 155 155 155 ILE ILE A . n 
A 1 156 ALA 156 156 156 ALA ALA A . n 
A 1 157 GLN 157 157 157 GLN GLN A . n 
A 1 158 ILE 158 158 158 ILE ILE A . n 
A 1 159 VAL 159 159 159 VAL VAL A . n 
A 1 160 PRO 160 160 160 PRO PRO A . n 
A 1 161 MET 161 161 161 MET MET A . n 
A 1 162 ASP 162 162 162 ASP ASP A . n 
A 1 163 GLY 163 163 163 GLY GLY A . n 
A 1 164 PHE 164 164 164 PHE PHE A . n 
A 1 165 HIS 165 165 165 HIS HIS A . n 
A 1 166 LEU 166 166 166 LEU LEU A . n 
A 1 167 SER 167 167 167 SER SER A . n 
A 1 168 ARG 168 168 168 ARG ARG A . n 
A 1 169 ARG 169 169 169 ARG ARG A . n 
A 1 170 CYS 170 170 170 CYS CYS A . n 
A 1 171 LEU 171 171 171 LEU LEU A . n 
A 1 172 ASP 172 172 172 ASP ASP A . n 
A 1 173 LEU 173 173 173 LEU LEU A . n 
A 1 174 PHE 174 174 174 PHE PHE A . n 
A 1 175 LYS 175 175 175 LYS LYS A . n 
A 1 176 ASP 176 176 176 ASP ASP A . n 
A 1 177 PRO 177 177 177 PRO PRO A . n 
A 1 178 GLN 178 178 178 GLN GLN A . n 
A 1 179 THR 179 179 179 THR THR A . n 
A 1 180 ALA 180 180 180 ALA ALA A . n 
A 1 181 HIS 181 181 181 HIS HIS A . n 
A 1 182 LYS 182 182 182 LYS LYS A . n 
A 1 183 ARG 183 183 183 ARG ARG A . n 
A 1 184 ARG 184 184 184 ARG ARG A . n 
A 1 185 GLY 185 185 185 GLY GLY A . n 
A 1 186 SER 186 186 186 SER SER A . n 
A 1 187 PRO 187 187 187 PRO PRO A . n 
A 1 188 SER 188 188 188 SER SER A . n 
A 1 189 THR 189 189 189 THR THR A . n 
A 1 190 PHE 190 190 190 PHE PHE A . n 
A 1 191 ASP 191 191 191 ASP ASP A . n 
A 1 192 SER 192 192 192 SER SER A . n 
A 1 193 ASN 193 193 193 ASN ASN A . n 
A 1 194 ASN 194 194 194 ASN ASN A . n 
A 1 195 PHE 195 195 195 PHE PHE A . n 
A 1 196 LEU 196 196 196 LEU LEU A . n 
A 1 197 GLN 197 197 197 GLN GLN A . n 
A 1 198 LEU 198 198 198 LEU LEU A . n 
A 1 199 CYS 199 199 199 CYS CYS A . n 
A 1 200 LYS 200 200 200 LYS LYS A . n 
A 1 201 ILE 201 201 201 ILE ILE A . n 
A 1 202 LEU 202 202 202 LEU LEU A . n 
A 1 203 ALA 203 203 203 ALA ALA A . n 
A 1 204 LYS 204 204 204 LYS LYS A . n 
A 1 205 THR 205 205 205 THR THR A . n 
A 1 206 SER 206 206 206 SER SER A . n 
A 1 207 LEU 207 207 207 LEU LEU A . n 
A 1 208 CME 208 208 208 CME CYB A . n 
A 1 209 LYS 209 209 209 LYS LYS A . n 
A 1 210 VAL 210 210 210 VAL VAL A . n 
A 1 211 SER 211 211 211 SER SER A . n 
A 1 212 SER 212 212 ?   ?   ?   A . n 
A 1 213 HIS 213 213 ?   ?   ?   A . n 
A 1 214 HIS 214 214 ?   ?   ?   A . n 
A 1 215 LYS 215 215 ?   ?   ?   A . n 
A 1 216 PHE 216 216 ?   ?   ?   A . n 
A 1 217 TYR 217 217 ?   ?   ?   A . n 
A 1 218 SER 218 218 218 SER SER A . n 
A 1 219 THR 219 219 219 THR THR A . n 
A 1 220 SER 220 220 220 SER SER A . n 
A 1 221 SER 221 221 221 SER SER A . n 
A 1 222 VAL 222 222 222 VAL VAL A . n 
A 1 223 PHE 223 223 223 PHE PHE A . n 
A 1 224 GLU 224 224 224 GLU GLU A . n 
A 1 225 LYS 225 225 225 LYS LYS A . n 
A 1 226 LEU 226 226 226 LEU LEU A . n 
A 1 227 SER 227 227 227 SER SER A . n 
A 1 228 LYS 228 228 228 LYS LYS A . n 
A 1 229 THR 229 229 229 THR THR A . n 
A 1 230 PHE 230 230 230 PHE PHE A . n 
A 1 231 SER 231 231 231 SER SER A . n 
A 1 232 GLN 232 232 232 GLN GLN A . n 
A 1 233 THR 233 233 233 THR THR A . n 
A 1 234 ILE 234 234 234 ILE ILE A . n 
A 1 235 PRO 235 235 235 PRO PRO A . n 
A 1 236 ASP 236 236 236 ASP ASP A . n 
A 1 237 ILE 237 237 237 ILE ILE A . n 
A 1 238 PHE 238 238 238 PHE PHE A . n 
A 1 239 VAL 239 239 239 VAL VAL A . n 
A 1 240 PRO 240 240 240 PRO PRO A . n 
A 1 241 GLY 241 241 241 GLY GLY A . n 
A 1 242 PHE 242 242 242 PHE PHE A . n 
A 1 243 ASN 243 243 243 ASN ASN A . n 
A 1 244 HIS 244 244 244 HIS HIS A . n 
A 1 245 ALA 245 245 245 ALA ALA A . n 
A 1 246 LEU 246 246 246 LEU LEU A . n 
A 1 247 LYS 247 247 247 LYS LYS A . n 
A 1 248 ASP 248 248 248 ASP ASP A . n 
A 1 249 PRO 249 249 249 PRO PRO A . n 
A 1 250 THR 250 250 250 THR THR A . n 
A 1 251 PRO 251 251 251 PRO PRO A . n 
A 1 252 ASP 252 252 252 ASP ASP A . n 
A 1 253 GLN 253 253 253 GLN GLN A . n 
A 1 254 TYR 254 254 254 TYR TYR A . n 
A 1 255 CYS 255 255 255 CYS CYS A . n 
A 1 256 ILE 256 256 256 ILE ILE A . n 
A 1 257 SER 257 257 257 SER SER A . n 
A 1 258 LYS 258 258 258 LYS LYS A . n 
A 1 259 PHE 259 259 259 PHE PHE A . n 
A 1 260 THR 260 260 260 THR THR A . n 
A 1 261 ARG 261 261 261 ARG ARG A . n 
A 1 262 ILE 262 262 262 ILE ILE A . n 
A 1 263 VAL 263 263 263 VAL VAL A . n 
A 1 264 ILE 264 264 264 ILE ILE A . n 
A 1 265 LEU 265 265 265 LEU LEU A . n 
A 1 266 GLU 266 266 266 GLU GLU A . n 
A 1 267 GLY 267 267 267 GLY GLY A . n 
A 1 268 LEU 268 268 268 LEU LEU A . n 
A 1 269 TYR 269 269 269 TYR TYR A . n 
A 1 270 LEU 270 270 270 LEU LEU A . n 
A 1 271 LEU 271 271 271 LEU LEU A . n 
A 1 272 TYR 272 272 272 TYR TYR A . n 
A 1 273 ASP 273 273 273 ASP ASP A . n 
A 1 274 GLN 274 274 274 GLN GLN A . n 
A 1 275 GLU 275 275 275 GLU GLU A . n 
A 1 276 ASN 276 276 276 ASN ASN A . n 
A 1 277 TRP 277 277 277 TRP TRP A . n 
A 1 278 LYS 278 278 278 LYS LYS A . n 
A 1 279 LYS 279 279 279 LYS LYS A . n 
A 1 280 ILE 280 280 280 ILE ILE A . n 
A 1 281 TYR 281 281 281 TYR TYR A . n 
A 1 282 LYS 282 282 282 LYS LYS A . n 
A 1 283 THR 283 283 283 THR THR A . n 
A 1 284 LEU 284 284 284 LEU LEU A . n 
A 1 285 ALA 285 285 285 ALA ALA A . n 
A 1 286 ASP 286 286 286 ASP ASP A . n 
A 1 287 THR 287 287 287 THR THR A . n 
A 1 288 GLY 288 288 288 GLY GLY A . n 
A 1 289 ALA 289 289 289 ALA ALA A . n 
A 1 290 LEU 290 290 290 LEU LEU A . n 
A 1 291 LEU 291 291 291 LEU LEU A . n 
A 1 292 VAL 292 292 292 VAL VAL A . n 
A 1 293 TYR 293 293 293 TYR TYR A . n 
A 1 294 LYS 294 294 294 LYS LYS A . n 
A 1 295 ILE 295 295 295 ILE ILE A . n 
A 1 296 ASP 296 296 296 ASP ASP A . n 
A 1 297 ILE 297 297 297 ILE ILE A . n 
A 1 298 ASP 298 298 298 ASP ASP A . n 
A 1 299 TYR 299 299 299 TYR TYR A . n 
A 1 300 GLU 300 300 300 GLU GLU A . n 
A 1 301 ALA 301 301 301 ALA ALA A . n 
A 1 302 THR 302 302 302 THR THR A . n 
A 1 303 GLU 303 303 303 GLU GLU A . n 
A 1 304 GLU 304 304 304 GLU GLU A . n 
A 1 305 ARG 305 305 305 ARG ARG A . n 
A 1 306 VAL 306 306 306 VAL VAL A . n 
A 1 307 ALA 307 307 307 ALA ALA A . n 
A 1 308 LYS 308 308 308 LYS LYS A . n 
A 1 309 ARG 309 309 309 ARG ARG A . n 
A 1 310 HIS 310 310 310 HIS HIS A . n 
A 1 311 LEU 311 311 311 LEU LEU A . n 
A 1 312 GLN 312 312 312 GLN GLN A . n 
A 1 313 SER 313 313 313 SER SER A . n 
A 1 314 GLY 314 314 314 GLY GLY A . n 
A 1 315 LEU 315 315 315 LEU LEU A . n 
A 1 316 VAL 316 316 316 VAL VAL A . n 
A 1 317 THR 317 317 317 THR THR A . n 
A 1 318 THR 318 318 318 THR THR A . n 
A 1 319 ILE 319 319 319 ILE ILE A . n 
A 1 320 ALA 320 320 320 ALA ALA A . n 
A 1 321 GLU 321 321 321 GLU GLU A . n 
A 1 322 GLY 322 322 322 GLY GLY A . n 
A 1 323 ARG 323 323 323 ARG ARG A . n 
A 1 324 GLU 324 324 324 GLU GLU A . n 
A 1 325 LYS 325 325 325 LYS LYS A . n 
A 1 326 PHE 326 326 326 PHE PHE A . n 
A 1 327 ARG 327 327 327 ARG ARG A . n 
A 1 328 SER 328 328 328 SER SER A . n 
A 1 329 ASN 329 329 329 ASN ASN A . n 
A 1 330 ASP 330 330 330 ASP ASP A . n 
A 1 331 LEU 331 331 331 LEU LEU A . n 
A 1 332 LEU 332 332 332 LEU LEU A . n 
A 1 333 ASN 333 333 333 ASN ASN A . n 
A 1 334 GLY 334 334 334 GLY GLY A . n 
A 1 335 ARG 335 335 335 ARG ARG A . n 
A 1 336 ASP 336 336 336 ASP ASP A . n 
A 1 337 ILE 337 337 337 ILE ILE A . n 
A 1 338 ASP 338 338 338 ASP ASP A . n 
A 1 339 ASN 339 339 339 ASN ASN A . n 
A 1 340 HIS 340 340 340 HIS HIS A . n 
A 1 341 LEU 341 341 341 LEU LEU A . n 
A 1 342 ILE 342 342 342 ILE ILE A . n 
A 1 343 LYS 343 343 343 LYS LYS A . n 
A 1 344 VAL 344 344 344 VAL VAL A . n 
A 1 345 ASP 345 345 345 ASP ASP A . n 
A 1 346 ASN 346 346 346 ASN ASN A . n 
A 1 347 ILE 347 347 347 ILE ILE A . n 
A 1 348 VAL 348 348 348 VAL VAL A . n 
A 1 349 HIS 349 349 349 HIS HIS A . n 
A 1 350 ILE 350 350 350 ILE ILE A . n 
A 1 351 ARG 351 351 351 ARG ARG A . n 
A 1 352 ASN 352 352 352 ASN ASN A . n 
A 1 353 ASP 353 353 353 ASP ASP A . n 
A 1 354 HIS 354 354 354 HIS HIS A . n 
A 1 355 HIS 355 355 ?   ?   ?   A . n 
A 1 356 HIS 356 356 ?   ?   ?   A . n 
A 1 357 HIS 357 357 ?   ?   ?   A . n 
A 1 358 HIS 358 358 ?   ?   ?   A . n 
A 1 359 HIS 359 359 ?   ?   ?   A . n 
# 
loop_
_pdbx_struct_mod_residue.id 
_pdbx_struct_mod_residue.label_asym_id 
_pdbx_struct_mod_residue.label_comp_id 
_pdbx_struct_mod_residue.label_seq_id 
_pdbx_struct_mod_residue.auth_asym_id 
_pdbx_struct_mod_residue.auth_comp_id 
_pdbx_struct_mod_residue.auth_seq_id 
_pdbx_struct_mod_residue.PDB_ins_code 
_pdbx_struct_mod_residue.parent_comp_id 
_pdbx_struct_mod_residue.details 
1 A CME 45  A CME 45  ? CYS 'S,S-(2-HYDROXYETHYL)THIOCYSTEINE' 
2 A CME 121 A CME 121 ? CYS 'S,S-(2-HYDROXYETHYL)THIOCYSTEINE' 
3 A CME 208 A CME 208 ? CYS 'S,S-(2-HYDROXYETHYL)THIOCYSTEINE' 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2007-03-27 
2 'Structure model' 1 1 2007-12-12 
3 'Structure model' 1 2 2011-07-13 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Version format compliance' 
2 3 'Structure model' 'Version format compliance' 
# 
loop_
_software.name 
_software.classification 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
DENZO     'data reduction' . ? 1 
SCALEPACK 'data scaling'   . ? 2 
CNS       refinement       . ? 3 
CNS       phasing          . ? 4 
# 
loop_
_pdbx_validate_rmsd_bond.id 
_pdbx_validate_rmsd_bond.PDB_model_num 
_pdbx_validate_rmsd_bond.auth_atom_id_1 
_pdbx_validate_rmsd_bond.auth_asym_id_1 
_pdbx_validate_rmsd_bond.auth_comp_id_1 
_pdbx_validate_rmsd_bond.auth_seq_id_1 
_pdbx_validate_rmsd_bond.PDB_ins_code_1 
_pdbx_validate_rmsd_bond.label_alt_id_1 
_pdbx_validate_rmsd_bond.auth_atom_id_2 
_pdbx_validate_rmsd_bond.auth_asym_id_2 
_pdbx_validate_rmsd_bond.auth_comp_id_2 
_pdbx_validate_rmsd_bond.auth_seq_id_2 
_pdbx_validate_rmsd_bond.PDB_ins_code_2 
_pdbx_validate_rmsd_bond.label_alt_id_2 
_pdbx_validate_rmsd_bond.bond_value 
_pdbx_validate_rmsd_bond.bond_target_value 
_pdbx_validate_rmsd_bond.bond_deviation 
_pdbx_validate_rmsd_bond.bond_standard_deviation 
_pdbx_validate_rmsd_bond.linker_flag 
1 1 C A GLN 46  ? ? N A ILE 47  ? ? 1.177 1.336 -0.159 0.023 Y 
2 1 C A CME 121 ? ? N A THR 122 ? ? 1.551 1.336 0.215  0.023 Y 
3 1 C A LEU 207 ? ? N A CME 208 ? ? 1.138 1.336 -0.198 0.023 Y 
4 1 C A LYS 209 ? ? N A VAL 210 ? ? 1.529 1.336 0.193  0.023 Y 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 CA A CME 45  ? ? C A CME 45  ? ? N  A GLN 46  ? ? 100.35 117.20 -16.85 2.20 Y 
2 1 C  A CME 45  ? ? N A GLN 46  ? ? CA A GLN 46  ? ? 100.68 121.70 -21.02 2.50 Y 
3 1 O  A GLN 46  ? ? C A GLN 46  ? ? N  A ILE 47  ? ? 110.91 122.70 -11.79 1.60 Y 
4 1 C  A HIS 59  ? ? N A PRO 60  ? ? CA A PRO 60  ? ? 129.43 119.30 10.13  1.50 Y 
5 1 O  A GLU 120 ? ? C A GLU 120 ? ? N  A CME 121 ? ? 104.15 122.70 -18.55 1.60 Y 
6 1 CA A CME 121 ? ? C A CME 121 ? ? N  A THR 122 ? ? 98.58  117.20 -18.62 2.20 Y 
7 1 O  A CME 208 ? ? C A CME 208 ? ? N  A LYS 209 ? ? 106.92 122.70 -15.78 1.60 Y 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN A 93  ? ? -86.80  41.94   
2 1 TYR A 111 ? ? -171.16 149.48  
3 1 CME A 121 ? ? 169.07  125.28  
4 1 ALA A 126 ? ? -131.74 -149.42 
5 1 CME A 208 ? ? -74.74  -165.39 
6 1 ASP A 252 ? ? 32.42   54.55   
7 1 ASP A 273 ? ? -75.53  25.01   
8 1 GLU A 275 ? ? 35.23   -125.98 
# 
loop_
_pdbx_validate_main_chain_plane.id 
_pdbx_validate_main_chain_plane.PDB_model_num 
_pdbx_validate_main_chain_plane.auth_comp_id 
_pdbx_validate_main_chain_plane.auth_asym_id 
_pdbx_validate_main_chain_plane.auth_seq_id 
_pdbx_validate_main_chain_plane.PDB_ins_code 
_pdbx_validate_main_chain_plane.label_alt_id 
_pdbx_validate_main_chain_plane.improper_torsion_angle 
1 1 CME A 45  ? ? -13.97 
2 1 GLN A 46  ? ? 19.64  
3 1 GLU A 120 ? ? -18.38 
4 1 CME A 121 ? ? 16.87  
5 1 CME A 208 ? ? -17.65 
6 1 LYS A 209 ? ? 14.02  
# 
loop_
_pdbx_validate_polymer_linkage.id 
_pdbx_validate_polymer_linkage.PDB_model_num 
_pdbx_validate_polymer_linkage.auth_atom_id_1 
_pdbx_validate_polymer_linkage.auth_asym_id_1 
_pdbx_validate_polymer_linkage.auth_comp_id_1 
_pdbx_validate_polymer_linkage.auth_seq_id_1 
_pdbx_validate_polymer_linkage.PDB_ins_code_1 
_pdbx_validate_polymer_linkage.label_alt_id_1 
_pdbx_validate_polymer_linkage.auth_atom_id_2 
_pdbx_validate_polymer_linkage.auth_asym_id_2 
_pdbx_validate_polymer_linkage.auth_comp_id_2 
_pdbx_validate_polymer_linkage.auth_seq_id_2 
_pdbx_validate_polymer_linkage.PDB_ins_code_2 
_pdbx_validate_polymer_linkage.label_alt_id_2 
_pdbx_validate_polymer_linkage.dist 
1 1 C A GLN 46  ? ? N A ILE 47  ? ? 1.18 
2 1 C A LEU 207 ? ? N A CME 208 ? ? 1.14 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET 1   ? A MET 1   
2  1 Y 1 A LEU 114 ? A LEU 114 
3  1 Y 1 A THR 115 ? A THR 115 
4  1 Y 1 A SER 116 ? A SER 116 
5  1 Y 1 A ASN 117 ? A ASN 117 
6  1 Y 1 A ASN 118 ? A ASN 118 
7  1 Y 1 A VAL 139 ? A VAL 139 
8  1 Y 1 A ASP 140 ? A ASP 140 
9  1 Y 1 A ASN 141 ? A ASN 141 
10 1 Y 1 A PRO 142 ? A PRO 142 
11 1 Y 1 A VAL 143 ? A VAL 143 
12 1 Y 1 A ASN 144 ? A ASN 144 
13 1 Y 1 A VAL 145 ? A VAL 145 
14 1 Y 1 A ASN 146 ? A ASN 146 
15 1 Y 1 A LYS 147 ? A LYS 147 
16 1 Y 1 A LEU 148 ? A LEU 148 
17 1 Y 1 A ALA 149 ? A ALA 149 
18 1 Y 1 A GLN 150 ? A GLN 150 
19 1 Y 1 A ASP 151 ? A ASP 151 
20 1 Y 1 A SER 212 ? A SER 212 
21 1 Y 1 A HIS 213 ? A HIS 213 
22 1 Y 1 A HIS 214 ? A HIS 214 
23 1 Y 1 A LYS 215 ? A LYS 215 
24 1 Y 1 A PHE 216 ? A PHE 216 
25 1 Y 1 A TYR 217 ? A TYR 217 
26 1 Y 1 A HIS 355 ? A HIS 355 
27 1 Y 1 A HIS 356 ? A HIS 356 
28 1 Y 1 A HIS 357 ? A HIS 357 
29 1 Y 1 A HIS 358 ? A HIS 358 
30 1 Y 1 A HIS 359 ? A HIS 359 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'SULFATE ION' SO4 
3 water         HOH 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 SO4 1   2847 2847 SO4 SO4 A . 
C 3 HOH 1   2848 1    HOH HOH A . 
C 3 HOH 2   2849 2    HOH HOH A . 
C 3 HOH 3   2850 3    HOH HOH A . 
C 3 HOH 4   2851 4    HOH HOH A . 
C 3 HOH 5   2852 5    HOH HOH A . 
C 3 HOH 6   2853 6    HOH HOH A . 
C 3 HOH 7   2854 7    HOH HOH A . 
C 3 HOH 8   2855 8    HOH HOH A . 
C 3 HOH 9   2856 10   HOH HOH A . 
C 3 HOH 10  2857 11   HOH HOH A . 
C 3 HOH 11  2858 12   HOH HOH A . 
C 3 HOH 12  2859 13   HOH HOH A . 
C 3 HOH 13  2860 14   HOH HOH A . 
C 3 HOH 14  2861 15   HOH HOH A . 
C 3 HOH 15  2862 16   HOH HOH A . 
C 3 HOH 16  2863 17   HOH HOH A . 
C 3 HOH 17  2864 18   HOH HOH A . 
C 3 HOH 18  2865 19   HOH HOH A . 
C 3 HOH 19  2866 21   HOH HOH A . 
C 3 HOH 20  2867 22   HOH HOH A . 
C 3 HOH 21  2868 23   HOH HOH A . 
C 3 HOH 22  2869 25   HOH HOH A . 
C 3 HOH 23  2870 26   HOH HOH A . 
C 3 HOH 24  2871 27   HOH HOH A . 
C 3 HOH 25  2872 28   HOH HOH A . 
C 3 HOH 26  2873 30   HOH HOH A . 
C 3 HOH 27  2874 31   HOH HOH A . 
C 3 HOH 28  2875 50   HOH HOH A . 
C 3 HOH 29  2876 52   HOH HOH A . 
C 3 HOH 30  2877 53   HOH HOH A . 
C 3 HOH 31  2878 54   HOH HOH A . 
C 3 HOH 32  2879 55   HOH HOH A . 
C 3 HOH 33  2880 56   HOH HOH A . 
C 3 HOH 34  2881 57   HOH HOH A . 
C 3 HOH 35  2882 58   HOH HOH A . 
C 3 HOH 36  2883 59   HOH HOH A . 
C 3 HOH 37  2884 61   HOH HOH A . 
C 3 HOH 38  2885 62   HOH HOH A . 
C 3 HOH 39  2886 63   HOH HOH A . 
C 3 HOH 40  2887 64   HOH HOH A . 
C 3 HOH 41  2888 65   HOH HOH A . 
C 3 HOH 42  2889 66   HOH HOH A . 
C 3 HOH 43  2890 67   HOH HOH A . 
C 3 HOH 44  2891 68   HOH HOH A . 
C 3 HOH 45  2892 69   HOH HOH A . 
C 3 HOH 46  2893 71   HOH HOH A . 
C 3 HOH 47  2894 72   HOH HOH A . 
C 3 HOH 48  2895 73   HOH HOH A . 
C 3 HOH 49  2896 74   HOH HOH A . 
C 3 HOH 50  2897 75   HOH HOH A . 
C 3 HOH 51  2898 76   HOH HOH A . 
C 3 HOH 52  2899 77   HOH HOH A . 
C 3 HOH 53  2900 78   HOH HOH A . 
C 3 HOH 54  2901 79   HOH HOH A . 
C 3 HOH 55  2902 80   HOH HOH A . 
C 3 HOH 56  2903 81   HOH HOH A . 
C 3 HOH 57  2904 82   HOH HOH A . 
C 3 HOH 58  2905 83   HOH HOH A . 
C 3 HOH 59  2906 84   HOH HOH A . 
C 3 HOH 60  2907 85   HOH HOH A . 
C 3 HOH 61  2908 86   HOH HOH A . 
C 3 HOH 62  2909 87   HOH HOH A . 
C 3 HOH 63  2910 88   HOH HOH A . 
C 3 HOH 64  2911 89   HOH HOH A . 
C 3 HOH 65  2912 90   HOH HOH A . 
C 3 HOH 66  2913 91   HOH HOH A . 
C 3 HOH 67  2914 92   HOH HOH A . 
C 3 HOH 68  2915 93   HOH HOH A . 
C 3 HOH 69  2916 95   HOH HOH A . 
C 3 HOH 70  2917 96   HOH HOH A . 
C 3 HOH 71  2918 97   HOH HOH A . 
C 3 HOH 72  2919 98   HOH HOH A . 
C 3 HOH 73  2920 99   HOH HOH A . 
C 3 HOH 74  2921 100  HOH HOH A . 
C 3 HOH 75  2922 101  HOH HOH A . 
C 3 HOH 76  2923 102  HOH HOH A . 
C 3 HOH 77  2924 103  HOH HOH A . 
C 3 HOH 78  2925 104  HOH HOH A . 
C 3 HOH 79  2926 105  HOH HOH A . 
C 3 HOH 80  2927 106  HOH HOH A . 
C 3 HOH 81  2928 107  HOH HOH A . 
C 3 HOH 82  2929 108  HOH HOH A . 
C 3 HOH 83  2930 109  HOH HOH A . 
C 3 HOH 84  2931 110  HOH HOH A . 
C 3 HOH 85  2932 111  HOH HOH A . 
C 3 HOH 86  2933 112  HOH HOH A . 
C 3 HOH 87  2934 113  HOH HOH A . 
C 3 HOH 88  2935 114  HOH HOH A . 
C 3 HOH 89  2936 115  HOH HOH A . 
C 3 HOH 90  2937 116  HOH HOH A . 
C 3 HOH 91  2938 117  HOH HOH A . 
C 3 HOH 92  2939 118  HOH HOH A . 
C 3 HOH 93  2940 119  HOH HOH A . 
C 3 HOH 94  2941 120  HOH HOH A . 
C 3 HOH 95  2942 121  HOH HOH A . 
C 3 HOH 96  2943 122  HOH HOH A . 
C 3 HOH 97  2944 123  HOH HOH A . 
C 3 HOH 98  2945 124  HOH HOH A . 
C 3 HOH 99  2946 125  HOH HOH A . 
C 3 HOH 100 2947 126  HOH HOH A . 
C 3 HOH 101 2948 127  HOH HOH A . 
C 3 HOH 102 2949 128  HOH HOH A . 
C 3 HOH 103 2950 129  HOH HOH A . 
C 3 HOH 104 2951 130  HOH HOH A . 
C 3 HOH 105 2952 131  HOH HOH A . 
C 3 HOH 106 2953 132  HOH HOH A . 
C 3 HOH 107 2954 133  HOH HOH A . 
C 3 HOH 108 2955 135  HOH HOH A . 
C 3 HOH 109 2956 137  HOH HOH A . 
C 3 HOH 110 2957 138  HOH HOH A . 
C 3 HOH 111 2958 139  HOH HOH A . 
C 3 HOH 112 2959 140  HOH HOH A . 
C 3 HOH 113 2960 141  HOH HOH A . 
C 3 HOH 114 2961 142  HOH HOH A . 
C 3 HOH 115 2962 143  HOH HOH A . 
C 3 HOH 116 2963 144  HOH HOH A . 
C 3 HOH 117 2964 145  HOH HOH A . 
C 3 HOH 118 2965 146  HOH HOH A . 
C 3 HOH 119 2966 147  HOH HOH A . 
C 3 HOH 120 2967 148  HOH HOH A . 
C 3 HOH 121 2968 149  HOH HOH A . 
C 3 HOH 122 2969 150  HOH HOH A . 
C 3 HOH 123 2970 151  HOH HOH A . 
C 3 HOH 124 2971 152  HOH HOH A . 
C 3 HOH 125 2972 153  HOH HOH A . 
C 3 HOH 126 2973 154  HOH HOH A . 
C 3 HOH 127 2974 155  HOH HOH A . 
C 3 HOH 128 2975 156  HOH HOH A . 
C 3 HOH 129 2976 157  HOH HOH A . 
C 3 HOH 130 2977 158  HOH HOH A . 
C 3 HOH 131 2978 159  HOH HOH A . 
C 3 HOH 132 2979 160  HOH HOH A . 
C 3 HOH 133 2980 161  HOH HOH A . 
C 3 HOH 134 2981 162  HOH HOH A . 
C 3 HOH 135 2982 163  HOH HOH A . 
C 3 HOH 136 2983 164  HOH HOH A . 
C 3 HOH 137 2984 165  HOH HOH A . 
C 3 HOH 138 2985 166  HOH HOH A . 
C 3 HOH 139 2986 167  HOH HOH A . 
C 3 HOH 140 2987 168  HOH HOH A . 
C 3 HOH 141 2988 169  HOH HOH A . 
C 3 HOH 142 2989 170  HOH HOH A . 
C 3 HOH 143 2990 171  HOH HOH A . 
C 3 HOH 144 2991 172  HOH HOH A . 
C 3 HOH 145 2992 173  HOH HOH A . 
C 3 HOH 146 2993 174  HOH HOH A . 
C 3 HOH 147 2994 175  HOH HOH A . 
C 3 HOH 148 2995 176  HOH HOH A . 
C 3 HOH 149 2996 177  HOH HOH A . 
C 3 HOH 150 2997 178  HOH HOH A . 
C 3 HOH 151 2998 179  HOH HOH A . 
C 3 HOH 152 2999 180  HOH HOH A . 
C 3 HOH 153 3000 181  HOH HOH A . 
C 3 HOH 154 3001 182  HOH HOH A . 
C 3 HOH 155 3002 184  HOH HOH A . 
C 3 HOH 156 3003 185  HOH HOH A . 
C 3 HOH 157 3004 186  HOH HOH A . 
C 3 HOH 158 3005 187  HOH HOH A . 
C 3 HOH 159 3006 188  HOH HOH A . 
C 3 HOH 160 3007 189  HOH HOH A . 
C 3 HOH 161 3008 290  HOH HOH A . 
C 3 HOH 162 3009 291  HOH HOH A . 
C 3 HOH 163 3010 292  HOH HOH A . 
C 3 HOH 164 3011 293  HOH HOH A . 
C 3 HOH 165 3012 190  HOH HOH A . 
C 3 HOH 166 3013 191  HOH HOH A . 
C 3 HOH 167 3014 192  HOH HOH A . 
C 3 HOH 168 3015 193  HOH HOH A . 
C 3 HOH 169 3016 194  HOH HOH A . 
C 3 HOH 170 3017 195  HOH HOH A . 
C 3 HOH 171 3018 196  HOH HOH A . 
C 3 HOH 172 3019 197  HOH HOH A . 
C 3 HOH 173 3020 198  HOH HOH A . 
C 3 HOH 174 3021 199  HOH HOH A . 
C 3 HOH 175 3022 200  HOH HOH A . 
C 3 HOH 176 3023 201  HOH HOH A . 
C 3 HOH 177 3024 203  HOH HOH A . 
C 3 HOH 178 3025 204  HOH HOH A . 
C 3 HOH 179 3026 205  HOH HOH A . 
C 3 HOH 180 3027 206  HOH HOH A . 
#
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