data_16757 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Location and properties of metal-binding sites on the human prion protein ; _BMRB_accession_number 16757 _BMRB_flat_file_name bmr16757.str _Entry_type new _Submission_date 2010-03-03 _Accession_date 2010-03-03 _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 Jacksn Graham S. . 2 Murray Ian . . 3 Hosszu Laszlo L.P. . 4 Gibbs Nicholas . . 5 Waltho Johnathan P. . 6 Clarke Anthony R. . 7 Collinge John . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count binding_constants 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-24 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Location and properties of metal-binding sites on the human prion protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11438695 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jacksn Graham S. . 2 Murray Ian . . 3 Hosszu Laszlo L.P. . 4 Gibbs Nicholas . . 5 Waltho Johnathan P. . 6 Clarke Anthony R. . 7 Collinge John . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 98 _Journal_issue 15 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8531 _Page_last 8535 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PrP/copper complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PrP^(91-231) $PrP^(91-231) Cu $CU 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_PrP^(91-231) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PrP^(91-231) _Molecular_mass . _Mol_thiol_state 'not reported' _Details 'alpha configuration' ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; SDPGQGGGTHSQWNKPSKPK TNMKHMAGAAAAGAVVGGLG GYVLGSAMSRPIIHFGSDYE DRYYRENMHRYPNQVYYRPM DEYSNQNDFVHNCVNITIKQ HTVTTTTKGENFTETDVKMM ERVVEQMCITQYERESQAYY QRGSS ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASP 3 PRO 4 GLY 5 GLN 6 GLY 7 GLY 8 GLY 9 THR 10 HIS 11 SER 12 GLN 13 TRP 14 ASN 15 LYS 16 PRO 17 SER 18 LYS 19 PRO 20 LYS 21 THR 22 ASN 23 MET 24 LYS 25 HIS 26 MET 27 ALA 28 GLY 29 ALA 30 ALA 31 ALA 32 ALA 33 GLY 34 ALA 35 VAL 36 VAL 37 GLY 38 GLY 39 LEU 40 GLY 41 GLY 42 TYR 43 VAL 44 LEU 45 GLY 46 SER 47 ALA 48 MET 49 SER 50 ARG 51 PRO 52 ILE 53 ILE 54 HIS 55 PHE 56 GLY 57 SER 58 ASP 59 TYR 60 GLU 61 ASP 62 ARG 63 TYR 64 TYR 65 ARG 66 GLU 67 ASN 68 MET 69 HIS 70 ARG 71 TYR 72 PRO 73 ASN 74 GLN 75 VAL 76 TYR 77 TYR 78 ARG 79 PRO 80 MET 81 ASP 82 GLU 83 TYR 84 SER 85 ASN 86 GLN 87 ASN 88 ASP 89 PHE 90 VAL 91 HIS 92 ASN 93 CYS 94 VAL 95 ASN 96 ILE 97 THR 98 ILE 99 LYS 100 GLN 101 HIS 102 THR 103 VAL 104 THR 105 THR 106 THR 107 THR 108 LYS 109 GLY 110 GLU 111 ASN 112 PHE 113 THR 114 GLU 115 THR 116 ASP 117 VAL 118 LYS 119 MET 120 MET 121 GLU 122 ARG 123 VAL 124 VAL 125 GLU 126 GLN 127 MET 128 CYS 129 ILE 130 THR 131 GLN 132 TYR 133 GLU 134 ARG 135 GLU 136 SER 137 GLN 138 ALA 139 TYR 140 TYR 141 GLN 142 ARG 143 GLY 144 SER 145 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 15676 V129/D178N_prion_protein 100.00 146 99.31 100.00 1.39e-103 BMRB 16743 "HuPrP(90-231 M129 Q212P)" 97.93 148 97.18 99.30 2.07e-98 BMRB 17714 HuPrP 99.31 147 97.22 100.00 1.53e-101 BMRB 17756 hPrP(121-230) 75.86 113 97.27 100.00 2.27e-73 BMRB 17780 Hpp_E219K 97.93 142 97.18 100.00 2.79e-99 BMRB 18426 entity 97.93 142 97.89 100.00 7.86e-100 BMRB 18550 V210I 99.31 147 97.22 100.00 1.53e-101 BMRB 19268 MAJOR_PRION_PROTEIN 100.00 146 97.24 100.00 7.84e-102 BMRB 4402 "human prion protein" 97.24 210 97.87 100.00 1.12e-97 BMRB 4434 "human prion protein" 97.24 143 97.87 100.00 4.10e-99 BMRB 4641 "PRION PROTEIN" 100.00 146 97.24 100.00 1.09e-101 PDB 1FKC "Human Prion Protein (Mutant E200k) Fragment 90-231" 97.93 142 97.18 100.00 2.79e-99 PDB 1FO7 "Human Prion Protein Mutant E200k Fragment 90-231" 97.93 142 97.18 100.00 2.79e-99 PDB 1HJM "Human Prion Protein At Ph 7.0" 71.03 104 97.09 100.00 2.71e-68 PDB 1HJN "Human Prion Protein At Ph 7.0" 71.03 104 97.09 100.00 2.71e-68 PDB 1I4M "Crystal Structure Of The Human Prion Protein Reveals A Mechanism For Oligomerization" 74.48 108 97.22 100.00 4.49e-72 PDB 1QLX "Human Prion Protein" 97.24 210 97.87 100.00 1.12e-97 PDB 1QLZ "Human Prion Protein" 97.24 210 97.87 100.00 1.12e-97 PDB 1QM0 "Human Prion Protein Fragment 90-230" 97.24 143 97.87 100.00 4.10e-99 PDB 1QM1 "Human Prion Protein Fragment 90-230" 97.24 143 97.87 100.00 4.10e-99 PDB 2K1D "Nmr Studies Of A Pathogenic Mutant (d178n) Of The Human Prion Protein" 100.00 146 99.31 100.00 1.39e-103 PDB 2KUN "Three Dimensional Structure Of Huprp(90-231 M129 Q212p)" 97.93 148 97.18 99.30 2.07e-98 PDB 2LEJ "Human Prion Protein Mutant Huprp(90-231, M129, V210i)" 99.31 147 97.22 100.00 1.53e-101 PDB 2LFT "Human Prion Protein With E219k Protective Polymorphism" 97.93 142 97.18 100.00 2.79e-99 PDB 2LSB "Solution-State Nmr Structure Of The Human Prion Protein" 97.93 142 97.89 100.00 7.86e-100 PDB 2LV1 "Solution-state Nmr Structure Of Prion Protein Mutant V210i At Neutral Ph" 99.31 147 97.22 100.00 1.53e-101 PDB 2M8T "Solution Nmr Structure Of The V209m Variant Of The Human Prion Protein (residues 90-231)" 100.00 146 97.24 100.00 7.84e-102 PDB 2W9E "Structure Of Icsm 18 (Anti-Prp Therapeutic Antibody) Fab Fragment Complexed With Human Prp Fragment 119-231" 77.93 113 97.35 100.00 9.33e-76 PDB 3HAF "Human Prion Protein Variant V129 Domain Swapped Dimer" 97.93 142 98.59 100.00 2.67e-100 PDB 3HAK "Human Prion Protein Variant V129" 71.03 103 98.06 100.00 6.58e-69 PDB 3HEQ "Human Prion Protein Variant D178n With M129" 97.93 142 98.59 100.00 1.56e-100 PDB 3HER "Human Prion Protein Variant F198s With V129" 97.93 142 97.89 99.30 4.42e-99 PDB 3HES "Human Prion Protein Variant F198s With M129" 97.93 142 97.18 99.30 1.75e-98 PDB 3HJ5 "Human Prion Protein Variant V129 Domain Swapped Dimer" 97.93 142 98.59 100.00 2.67e-100 PDB 3HJX "Human Prion Protein Variant D178n With V129" 73.10 106 99.06 100.00 1.07e-71 PDB 4DGI "Structure Of Pom1 Fab Fragment Complexed With Human Prpc Fragment 120- 230" 76.55 111 97.30 100.00 2.14e-74 PDB 4KML "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Full-length Human Prion Protein Bound To A Nanobod" 97.93 241 97.89 100.00 3.98e-98 PDB 4N9O "Probing The N-terminal Beta-sheet Conversion In The Crystal Structure Of The Human Prion Protein Bound To A Nanobody" 97.93 142 97.89 100.00 7.86e-100 DBJ BAA00011 "prion protein [Homo sapiens]" 97.93 245 97.18 99.30 3.39e-95 DBJ BAG32276 "prion [Homo sapiens]" 97.93 253 97.89 100.00 1.28e-97 DBJ BAG32277 "prion [Homo sapiens]" 97.93 253 98.59 100.00 3.87e-98 DBJ BAG32278 "alternatively spliced variant form of prion [Homo sapiens]" 88.28 230 97.66 100.00 3.87e-87 DBJ BAG32279 "alternatively spliced variant form of prion [Homo sapiens]" 88.28 230 98.44 100.00 1.22e-87 EMBL CAA58442 "prion protein [Homo sapiens]" 97.93 245 97.89 100.00 1.34e-97 EMBL CAG46836 "PRNP [Homo sapiens]" 97.93 253 97.89 99.30 9.00e-96 EMBL CAG46869 "PRNP [Homo sapiens]" 97.93 253 98.59 100.00 3.87e-98 GB AAA19664 "prion protein [Homo sapiens]" 97.93 245 97.18 99.30 3.39e-95 GB AAA60182 "prion protein [Homo sapiens]" 97.93 253 97.89 100.00 1.28e-97 GB AAA68633 "major prion protein precursor [Gorilla gorilla]" 97.93 253 97.18 100.00 3.65e-97 GB AAB59442 "prion protein, partial [Homo sapiens]" 97.93 224 97.89 100.00 7.03e-98 GB AAB59443 "prion protein, partial [Homo sapiens]" 97.93 233 97.89 100.00 7.79e-98 REF NP_000302 "major prion protein preproprotein [Homo sapiens]" 97.93 253 97.89 100.00 1.28e-97 REF NP_001073590 "major prion protein preproprotein [Homo sapiens]" 97.93 253 97.89 100.00 1.28e-97 REF NP_001073591 "major prion protein preproprotein [Homo sapiens]" 97.93 253 97.89 100.00 1.28e-97 REF NP_001073592 "major prion protein preproprotein [Homo sapiens]" 97.93 253 97.89 100.00 1.28e-97 REF NP_898902 "major prion protein preproprotein [Homo sapiens]" 97.93 253 97.89 100.00 1.28e-97 SP P04156 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=ASCR; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_" 97.93 253 97.89 100.00 1.28e-97 SP P40252 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 97.93 253 97.18 100.00 3.99e-97 stop_ save_ ############# # Ligands # ############# save_CU _Saveframe_category ligand _Mol_type non-polymer _Name_common "CU (COPPER (II) ION)" _BMRB_code . _PDB_code CU _Molecular_mass 63.546 _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 13:36:24 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CU CU CU . 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 $PrP^(91-231) Human 9606 Eukaryota Metazoa Homo sapiens 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 $PrP^(91-231) 'purified from the natural source' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'titrated with 125 uM increments of CuSO4 to a final concentration of 1000 uM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PrP^(91-231) 500 uM [U-15N] Mops 5 mM 'natural abundance' $CU 1000 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name Felix _Version 97 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing 'data analysis' 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 temperature 298 . K pH 6.0 . pH pressure 1 . atm stop_ save_