data_16454 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Solution Structure of Complement-like Repeat CR3 from the Low Density Lipoprotein REceptor-related Protein ; _BMRB_accession_number 16454 _BMRB_flat_file_name bmr16454.str _Entry_type original _Submission_date 2009-08-19 _Accession_date 2009-08-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dolmer Klavs . . 2 Huang Wen . . 3 Gettins Peter G.W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count binding_constants 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-08 original author . stop_ _Original_release_date 2010-03-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Solution Structure of Complement-like Repeat CR3 from the Low Density Lipoprotein Receptor-related Protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10652313 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dolmer Klavs . . 2 Huang Wen . . 3 Gettins Peter G.W. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'Journal of Biological Chemistry' _Journal_volume 275 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3264 _Page_last 3269 _Year 2000 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CR3/RBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CR3 $CR3 RBD $RBD 'Calcium ion' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CR3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CR3 _Molecular_mass . _Mol_thiol_state 'not reported' _Details 'from the low density lipoprotein receptor-related protein (LRP)' ############################## # Polymer residue sequence # ############################## _Residue_count 41 _Mol_residue_sequence ; QCQPGEFACANSRCIQERWK CDGDNDCLDNSDEAPALCHQ H ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 CYS 3 GLN 4 PRO 5 GLY 6 GLU 7 PHE 8 ALA 9 CYS 10 ALA 11 ASN 12 SER 13 ARG 14 CYS 15 ILE 16 GLN 17 GLU 18 ARG 19 TRP 20 LYS 21 CYS 22 ASP 23 GLY 24 ASP 25 ASN 26 ASP 27 CYS 28 LEU 29 ASP 30 ASN 31 SER 32 ASP 33 GLU 34 ALA 35 PRO 36 ALA 37 LEU 38 CYS 39 HIS 40 GLN 41 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 4514 "lipoprotein receptor related protein" 100.00 45 100.00 100.00 1.14e-20 PDB 1D2L "Nmr Solution Structure Of Complement-Like Repeat Cr3 From The Low Density Lipoprotein Receptor-Related Protein (Lrp) . Evidence" 100.00 45 100.00 100.00 1.13e-20 stop_ save_ save_RBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RBD _Molecular_mass . _Mol_thiol_state 'not reported' _Details 'alpha2-macroglobulin - structure from paper: "Crystal structure of the receptor-binding domain of alpha 2-macroglobulin."' _Residue_count 357 _Mol_residue_sequence ; MAPRRVRSFLRGLPALLLLL LFLGPWPAASHGGKYSREKN QPKPSPKRESGEEFRMEKLN QLWEKAQRLHLPPWRLAELH ADLKIQERDELAWKKLKLDG LDEDGEKEARLIRNLNVILA KYGLDGKKDARQVTSNSLSG TQEDGLDDPRLEKLWHKAKT SGKFSGEELDKLWREFLHHK EKVHEYNVLLETLSRTEEIH ENVISPSDLSDIKGSVLHSR HTELKEKLRSINQGLDRLRR VSHQGYSTEAEFEEPRVIDL WDLAQSANLTDKELEAFREE LKHFEAKIEKHNHYQKQLEI AHEKLRHAESVGDGERVSRS REKHALLEGRTKELGYTVKK HLQDLSGRISRARHNEL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 PRO 4 ARG 5 ARG 6 VAL 7 ARG 8 SER 9 PHE 10 LEU 11 ARG 12 GLY 13 LEU 14 PRO 15 ALA 16 LEU 17 LEU 18 LEU 19 LEU 20 LEU 21 LEU 22 PHE 23 LEU 24 GLY 25 PRO 26 TRP 27 PRO 28 ALA 29 ALA 30 SER 31 HIS 32 GLY 33 GLY 34 LYS 35 TYR 36 SER 37 ARG 38 GLU 39 LYS 40 ASN 41 GLN 42 PRO 43 LYS 44 PRO 45 SER 46 PRO 47 LYS 48 ARG 49 GLU 50 SER 51 GLY 52 GLU 53 GLU 54 PHE 55 ARG 56 MET 57 GLU 58 LYS 59 LEU 60 ASN 61 GLN 62 LEU 63 TRP 64 GLU 65 LYS 66 ALA 67 GLN 68 ARG 69 LEU 70 HIS 71 LEU 72 PRO 73 PRO 74 TRP 75 ARG 76 LEU 77 ALA 78 GLU 79 LEU 80 HIS 81 ALA 82 ASP 83 LEU 84 LYS 85 ILE 86 GLN 87 GLU 88 ARG 89 ASP 90 GLU 91 LEU 92 ALA 93 TRP 94 LYS 95 LYS 96 LEU 97 LYS 98 LEU 99 ASP 100 GLY 101 LEU 102 ASP 103 GLU 104 ASP 105 GLY 106 GLU 107 LYS 108 GLU 109 ALA 110 ARG 111 LEU 112 ILE 113 ARG 114 ASN 115 LEU 116 ASN 117 VAL 118 ILE 119 LEU 120 ALA 121 LYS 122 TYR 123 GLY 124 LEU 125 ASP 126 GLY 127 LYS 128 LYS 129 ASP 130 ALA 131 ARG 132 GLN 133 VAL 134 THR 135 SER 136 ASN 137 SER 138 LEU 139 SER 140 GLY 141 THR 142 GLN 143 GLU 144 ASP 145 GLY 146 LEU 147 ASP 148 ASP 149 PRO 150 ARG 151 LEU 152 GLU 153 LYS 154 LEU 155 TRP 156 HIS 157 LYS 158 ALA 159 LYS 160 THR 161 SER 162 GLY 163 LYS 164 PHE 165 SER 166 GLY 167 GLU 168 GLU 169 LEU 170 ASP 171 LYS 172 LEU 173 TRP 174 ARG 175 GLU 176 PHE 177 LEU 178 HIS 179 HIS 180 LYS 181 GLU 182 LYS 183 VAL 184 HIS 185 GLU 186 TYR 187 ASN 188 VAL 189 LEU 190 LEU 191 GLU 192 THR 193 LEU 194 SER 195 ARG 196 THR 197 GLU 198 GLU 199 ILE 200 HIS 201 GLU 202 ASN 203 VAL 204 ILE 205 SER 206 PRO 207 SER 208 ASP 209 LEU 210 SER 211 ASP 212 ILE 213 LYS 214 GLY 215 SER 216 VAL 217 LEU 218 HIS 219 SER 220 ARG 221 HIS 222 THR 223 GLU 224 LEU 225 LYS 226 GLU 227 LYS 228 LEU 229 ARG 230 SER 231 ILE 232 ASN 233 GLN 234 GLY 235 LEU 236 ASP 237 ARG 238 LEU 239 ARG 240 ARG 241 VAL 242 SER 243 HIS 244 GLN 245 GLY 246 TYR 247 SER 248 THR 249 GLU 250 ALA 251 GLU 252 PHE 253 GLU 254 GLU 255 PRO 256 ARG 257 VAL 258 ILE 259 ASP 260 LEU 261 TRP 262 ASP 263 LEU 264 ALA 265 GLN 266 SER 267 ALA 268 ASN 269 LEU 270 THR 271 ASP 272 LYS 273 GLU 274 LEU 275 GLU 276 ALA 277 PHE 278 ARG 279 GLU 280 GLU 281 LEU 282 LYS 283 HIS 284 PHE 285 GLU 286 ALA 287 LYS 288 ILE 289 GLU 290 LYS 291 HIS 292 ASN 293 HIS 294 TYR 295 GLN 296 LYS 297 GLN 298 LEU 299 GLU 300 ILE 301 ALA 302 HIS 303 GLU 304 LYS 305 LEU 306 ARG 307 HIS 308 ALA 309 GLU 310 SER 311 VAL 312 GLY 313 ASP 314 GLY 315 GLU 316 ARG 317 VAL 318 SER 319 ARG 320 SER 321 ARG 322 GLU 323 LYS 324 HIS 325 ALA 326 LEU 327 LEU 328 GLU 329 GLY 330 ARG 331 THR 332 LYS 333 GLU 334 LEU 335 GLY 336 TYR 337 THR 338 VAL 339 LYS 340 LYS 341 HIS 342 LEU 343 GLN 344 ASP 345 LEU 346 SER 347 GLY 348 ARG 349 ILE 350 SER 351 ARG 352 ALA 353 ARG 354 HIS 355 ASN 356 GLU 357 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2P01 "The Structure Of Receptor-Associated Protein(Rap)" 90.48 323 99.69 99.69 0.00e+00 PDB 2P03 "The Structure Of Receptor-Associated Protein(Rap)" 90.48 323 99.69 99.69 0.00e+00 DBJ BAD96224 "low density lipoprotein receptor-related protein associated protein 1 variant [Homo sapiens]" 100.00 357 99.44 99.44 0.00e+00 DBJ BAD96247 "low density lipoprotein receptor-related protein associated protein 1 variant [Homo sapiens]" 100.00 357 99.16 99.16 0.00e+00 DBJ BAF85010 "unnamed protein product [Homo sapiens]" 100.00 357 99.16 99.16 0.00e+00 DBJ BAG35576 "unnamed protein product [Homo sapiens]" 100.00 357 99.44 99.44 0.00e+00 DBJ BAG73353 "low density lipoprotein receptor-related protein associated protein 1 [synthetic construct]" 100.00 357 99.72 99.72 0.00e+00 EMBL CAH90295 "hypothetical protein [Pongo abelii]" 100.28 358 96.93 97.77 0.00e+00 GB AAA51553 "alpha-2-macroglobulin receptor-associated protein [Homo sapiens]" 100.00 357 99.72 99.72 0.00e+00 GB AAC67373 "lipoprotein receptor associated protein [Homo sapiens]" 100.00 357 99.72 99.72 0.00e+00 GB AAI05075 "Low density lipoprotein receptor-related protein associated protein 1 [Homo sapiens]" 100.00 357 99.72 99.72 0.00e+00 GB AAI12068 "Low density lipoprotein receptor-related protein associated protein 1 [Homo sapiens]" 100.00 357 99.72 99.72 0.00e+00 GB AAY18903 "lipoprotein receptor associated protein; alpha-2-macroglobulin receptor-associated protein [synthetic construct]" 99.72 381 99.72 99.72 0.00e+00 REF NP_001125136 "alpha-2-macroglobulin receptor-associated protein precursor [Pongo abelii]" 100.28 358 96.93 97.77 0.00e+00 REF NP_001233320 "alpha-2-macroglobulin receptor-associated protein precursor [Pan troglodytes]" 100.00 357 98.88 99.16 0.00e+00 REF NP_002328 "alpha-2-macroglobulin receptor-associated protein precursor [Homo sapiens]" 100.00 357 99.72 99.72 0.00e+00 REF XP_003804417 "PREDICTED: alpha-2-macroglobulin receptor-associated protein isoform X1 [Pan paniscus]" 100.00 357 98.88 99.16 0.00e+00 REF XP_004038406 "PREDICTED: alpha-2-macroglobulin receptor-associated protein-like [Gorilla gorilla gorilla]" 94.96 406 98.53 99.41 0.00e+00 SP P30533 "RecName: Full=Alpha-2-macroglobulin receptor-associated protein; Short=Alpha-2-MRAP; AltName: Full=Low density lipoprotein rece" 100.00 357 99.72 99.72 0.00e+00 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CR3 Pseudomonas 286 Bacteria . Pseudomonas . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $RBD 'recombinant technology' . homo sapiens . na stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CR3 100 uM . . '[U-13C; U-15N]' Tris-HCl 20 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' $CA 10 mM . . 'natural abundance' 'sodium azide' 0.1 % . . 'natural abundance' $RBD . uM 0 400 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Triad _Saveframe_category software _Name Triad _Version 6.3 loop_ _Vendor _Address _Electronic_address '(Tripos, Inc., ST. Louis, MO)' . . stop_ loop_ _Task processing stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 5.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH temperature 298 . K stop_ save_