data_6083 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Specific recognition between surface loop 2 (132-143) and helix 1 (144-154) within sheep prion protein from in vitro studies of synthetic peptides ; _BMRB_accession_number 6083 _BMRB_flat_file_name bmr6083.str _Entry_type original _Submission_date 2004-01-18 _Accession_date 2004-01-26 _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 Kozin Sergey A. . 2 Lepage Claire . . 3 'Hui Bon Hoa' Gaston . . 4 Rabesona Hanitra . . 5 Mazur Alexey K. . 6 Blond Alain . . 7 Cheminant Michel . . 8 Haertle Thomas . . 9 Debey Pascale . . 10 Rebuffat Sylvie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-03-07 original author . stop_ _Original_release_date 2004-03-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Specific recognition between surface loop 2 (132-143) and helix 1 (144-154) within sheep prion protein from in vitro studies of synthetic peptides ; _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kozin Sergey A. . 2 Lepage Claire . . 3 'Hui Bon Hoa' Gaston . . 4 Rabesona Hanitra . . 5 Mazur Alexey K. . 6 Blond Alain . . 7 Cheminant Michel . . 8 Haertle Thomas . . 9 Debey Pascale . . 10 Rebuffat Sylvie . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2004 _Details . loop_ _Keyword interaction NMR peptide prion protein recognition solution structure stop_ save_ ################################## # Molecular system description # ################################## save_system_SheepPrP(135-155) _Saveframe_category molecular_system _Mol_system_name SheepPrP(135-155) _Abbreviation_common SheepPrP(135-155) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SheepPrP(135-155) $SheepPrP(135-155) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SheepPrP(135-155) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Sheep prion protein peptide 135-155 (in human numbering)' _Abbreviation_common SheepPrP(135-155) _Molecular_mass 2739 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 21 _Mol_residue_sequence ; SRPLIHFGNDYEDRYYRENM Y ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 138 SER 2 139 ARG 3 140 PRO 4 141 LEU 5 142 ILE 6 143 HIS 7 144 PHE 8 145 GLY 9 146 ASN 10 147 ASP 11 148 TYR 12 149 GLU 13 150 ASP 14 151 ARG 15 152 TYR 16 153 TYR 17 154 ARG 18 155 GLU 19 156 ASN 20 157 MET 21 158 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 15394 "rpp mutation S173N" 100.00 138 100.00 100.00 2.03e-05 BMRB 15399 "rpp I214V" 100.00 138 100.00 100.00 1.44e-05 BMRB 16328 prion_protein 100.00 145 100.00 100.00 6.33e-05 BMRB 16616 prion 100.00 145 100.00 100.00 5.08e-05 BMRB 16720 "mouse prion protein mutant D167S" 100.00 113 100.00 100.00 4.12e-06 BMRB 4650 PrP 66.67 26 100.00 100.00 7.36e+00 BMRB 5405 PrP 66.67 26 100.00 100.00 7.36e+00 BMRB 6377 prion_protein 100.00 113 100.00 100.00 5.73e-06 BMRB 6378 cPrP 100.00 113 100.00 100.00 4.98e-06 BMRB 6381 ovPrP_H168 100.00 113 100.00 100.00 5.90e-06 BMRB 6383 eprp 100.00 113 100.00 100.00 5.62e-06 BMRB 6403 Ovine_Prion_Protein_Variant_R168 100.00 113 100.00 100.00 5.90e-06 BMRB 6953 entity 100.00 138 100.00 100.00 1.48e-05 BMRB 7142 "prion protein" 100.00 138 100.00 100.00 1.48e-05 PDB 1G04 "Solution Structure Of Synthetic 26-Mer Peptide Containing 145-169 Sheep Prion Protein Segment And C-Terminal Cysteine" 66.67 26 100.00 100.00 7.36e+00 PDB 1M25 "Structure Of Synthetic 26-Mer Peptide Containing 145-169 Sheep Prion Protein Segment And C-Terminal Cysteine In Tfe Solution" 66.67 26 100.00 100.00 7.36e+00 PDB 1S4T "Solution Structure Of Synthetic 21mer Peptide Spanning Region 135-155 (In Human Numbering) Of Sheep Prion Protein" 95.24 21 100.00 100.00 6.37e-05 PDB 1TPX "Ovine Recombinant Prp(114-234), Arq Variant In Complex With The Fab Of The Vrq14 Antibody" 100.00 121 100.00 100.00 3.88e-06 PDB 1TQB "Ovine Recombinant Prp(114-234), Vrq Variant In Complex With The Fab Of The Vrq14 Antibody" 100.00 102 100.00 100.00 5.87e-06 PDB 1TQC "Ovine Recombinant Prp(114-234), Arr Variant In Complex With The Vrq14 Fab Fragment (Igg2a)" 100.00 102 100.00 100.00 6.43e-06 PDB 1XYJ "Nmr Structure Of The Cat Prion Protein" 100.00 111 100.00 100.00 6.02e-06 PDB 1XYK "Nmr Structure Of The Canine Prion Protein" 100.00 111 100.00 100.00 5.29e-06 PDB 1XYU "Solution Structure Of The Sheep Prion Protein With Polymorphism H168" 100.00 111 100.00 100.00 6.20e-06 PDB 1XYW "Elk Prion Protein" 100.00 111 100.00 100.00 5.61e-06 PDB 1Y2S "Ovine Prion Protein Variant R168" 100.00 113 100.00 100.00 5.90e-06 PDB 2FJ3 "Nmr Solution Of Rabbit Prion Protein (91-228)" 100.00 138 100.00 100.00 1.48e-05 PDB 2JOH "Nmr Structure Of Rabbit Prion Protein Mutation S173n" 100.00 148 100.00 100.00 7.45e-05 PDB 2JOM "Nmr Structure Of Rabbit Prion Protein Mutation I214v" 100.00 148 100.00 100.00 5.91e-05 PDB 2KU4 "Horse Prion Protein" 100.00 113 100.00 100.00 4.12e-06 PDB 2RMW "Solution Structure Of Synthetic 26-Mer Peptide Containing 142-166 Sheep Prion Protein Segment And C-Terminal Cysteine With R156" 66.67 26 100.00 100.00 6.09e+00 PDB 3O79 "Crystal Structure Of Wild-Type Rabbit Prp 126-230" 100.00 105 100.00 100.00 3.93e-06 PDB 4HLS "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n)" 100.00 132 100.00 100.00 4.58e-06 PDB 4HMM "Crystal Structure Of Mutant Rabbit Prp 121-230 (s174n)" 100.00 132 100.00 100.00 4.58e-06 PDB 4HMR "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n/s174n)" 100.00 132 100.00 100.00 5.01e-06 DBJ BAA07376 "PrP [Ovis sp.]" 100.00 256 100.00 100.00 9.94e-07 DBJ BAB69955 "prion protein [Ovis aries musimon]" 100.00 256 100.00 100.00 9.94e-07 DBJ BAB69956 "prion protein [Ovis aries musimon]" 100.00 256 100.00 100.00 9.94e-07 DBJ BAD51981 "prion protein [Macaca fascicularis]" 100.00 253 100.00 100.00 1.14e-06 DBJ BAD72795 "prion protein [Equus caballus]" 100.00 213 100.00 100.00 3.43e-06 EMBL CAA04234 "Prion protein [Ovis aries]" 100.00 256 100.00 100.00 8.61e-07 EMBL CAA04236 "Prion protein [Ovis aries]" 100.00 256 100.00 100.00 8.09e-07 EMBL CAA04272 "Prion protein [Ovis aries]" 100.00 256 100.00 100.00 1.07e-06 EMBL CAA04273 "Prion protein [Ovis aries]" 100.00 256 100.00 100.00 8.61e-07 EMBL CAA04274 "Prion protein [Ovis aries]" 100.00 256 100.00 100.00 1.06e-06 GB AAA68634 "major prion protein precursor [Ateles paniscus x Ateles fusciceps]" 100.00 252 100.00 100.00 2.51e-06 GB AAA68635 "major prion protein precursor [Macaca mulatta]" 100.00 253 100.00 100.00 1.14e-06 GB AAA68636 "major prion protein precursor [Saimiri sciureus]" 100.00 252 100.00 100.00 1.56e-06 GB AAA69022 "prion protein [Mustela putorius]" 100.00 257 100.00 100.00 4.45e-07 GB AAB03105 "prion protein [Trachypithecus francoisi]" 100.00 253 100.00 100.00 1.04e-06 PIR JQ1900 "major prion protein precursor - European mink" 100.00 257 100.00 100.00 6.32e-07 PRF 1921132A "PrP protein" 100.00 256 100.00 100.00 9.94e-07 REF NP_001009481 "major prion protein precursor [Ovis aries]" 100.00 256 100.00 100.00 9.94e-07 REF NP_001013441 "major prion protein precursor [Canis lupus familiaris]" 100.00 257 100.00 100.00 5.82e-07 REF NP_001040617 "major prion protein precursor [Macaca mulatta]" 100.00 253 100.00 100.00 1.14e-06 REF NP_001075490 "major prion protein precursor [Oryctolagus cuniculus]" 100.00 254 100.00 100.00 5.99e-07 REF NP_001137270 "major prion protein precursor [Equus caballus]" 100.00 255 100.00 100.00 5.93e-07 SP B0FYL5 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor [Vulpes lagopus]" 100.00 257 100.00 100.00 5.82e-07 SP O18754 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor [Felis catus]" 100.00 256 100.00 100.00 1.27e-06 SP P23907 "RecName: Full=Major prion protein; Short=PrP; AltName: CD_antigen=CD230; Flags: Precursor [Ovis aries]" 100.00 256 100.00 100.00 1.06e-06 SP P40244 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 257 100.00 100.00 6.32e-07 SP P40245 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 239 100.00 100.00 2.41e-06 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SheepPrP(135-155) Sheep 9940 Eukaryota Metazoa ovis 'ovis aries' 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 $SheepPrP(135-155) 'chemical synthesis' . . . . . 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 $SheepPrP(135-155) 5.0 mM 4.9 5.1 . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ####################### # Sample conditions # ####################### save_experimental_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH . . pH temperature . . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis . H 1 . ppm . . . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_SHIFT_SET_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $experimental_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name SheepPrP(135-155) _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 SER HA H 4.12 0 1 2 . 1 SER HB2 H 3.97 0 2 3 . 1 SER HB3 H 3.90 0 2 4 . 2 ARG H H 8.46 0 1 5 . 2 ARG HA H 4.65 0 1 6 . 2 ARG HB2 H 1.82 0 2 7 . 2 ARG HB3 H 1.72 0 2 8 . 2 ARG HG2 H 1.66 0 1 9 . 2 ARG HG3 H 1.66 0 1 10 . 2 ARG HD2 H 3.17 0 1 11 . 2 ARG HD3 H 3.17 0 1 12 . 2 ARG HE H 7.06 0 1 13 . 3 PRO HA H 4.37 0 1 14 . 3 PRO HB2 H 2.23 0 1 15 . 3 PRO HB3 H 1.81 0 1 16 . 3 PRO HG2 H 1.97 0 1 17 . 3 PRO HG3 H 1.97 0 1 18 . 3 PRO HD2 H 3.77 0 2 19 . 3 PRO HD3 H 3.58 0 2 20 . 4 LEU H H 8.1 0 1 21 . 4 LEU HA H 4.28 0 1 22 . 4 LEU HB2 H 1.52 0 1 23 . 4 LEU HB3 H 1.52 0 1 24 . 4 LEU HG H 1.52 0 1 25 . 4 LEU HD1 H 0.87 0 2 26 . 4 LEU HD2 H 0.81 0 2 27 . 5 ILE H H 7.74 0 1 28 . 5 ILE HA H 4.04 0 1 29 . 5 ILE HB H 1.87 0 1 30 . 5 ILE HG12 H 1.28 0 2 31 . 5 ILE HG13 H 1.04 0 2 32 . 5 ILE HG2 H 0.66 0 1 33 . 5 ILE HD1 H 0.76 0 1 34 . 6 HIS H H 8.22 0 1 35 . 6 HIS HA H 4.62 0 1 36 . 6 HIS HB2 H 3.08 0 2 37 . 6 HIS HB3 H 3.03 0 2 38 . 6 HIS HD2 H 8.5 0 1 39 . 6 HIS HE1 H 7.15 0 1 40 . 7 PHE H H 8.08 0 1 41 . 7 PHE HA H 4.58 0 1 42 . 7 PHE HB2 H 3.07 0 2 43 . 7 PHE HB3 H 2.93 0 2 44 . 7 PHE HD1 H 7.16 0 1 45 . 7 PHE HD2 H 7.16 0 1 46 . 7 PHE HE1 H 7.27 0 1 47 . 7 PHE HE2 H 7.27 0 1 48 . 8 GLY H H 8.15 0 1 49 . 8 GLY HA2 H 3.89 0 1 50 . 8 GLY HA3 H 3.89 0 1 51 . 9 ASN H H 8.1 0 1 52 . 9 ASN HA H 4.63 0 1 53 . 10 ASP H H 8.23 0 1 54 . 10 ASP HA H 4.62 0 1 55 . 10 ASP HB2 H 2.8 0 2 56 . 10 ASP HB3 H 2.75 0 2 57 . 11 TYR H H 7.93 0 1 58 . 11 TYR HA H 4.4 0 1 59 . 11 TYR HB2 H 2.96 0 1 60 . 11 TYR HB3 H 2.96 0 1 61 . 11 TYR HD1 H 7.04 0 1 62 . 11 TYR HD2 H 7.04 0 1 63 . 11 TYR HE1 H 6.77 0 1 64 . 11 TYR HE2 H 6.77 0 1 65 . 12 GLU H H 7.94 0 1 66 . 12 GLU HA H 4.18 0 1 67 . 12 GLU HB2 H 2.02 0 2 68 . 12 GLU HB3 H 0.89 0 2 69 . 12 GLU HG2 H 2.33 0 1 70 . 12 GLU HG3 H 2.33 0 1 71 . 13 ASP H H 8.02 0 1 72 . 13 ASP HA H 4.56 0 1 73 . 13 ASP HB2 H 2.82 0 1 74 . 13 ASP HB3 H 2.82 0 1 75 . 14 ARG H H 7.86 0 1 76 . 14 ARG HA H 4.13 0 1 77 . 14 ARG HB2 H 1.59 0 1 78 . 14 ARG HB3 H 1.59 0 1 79 . 14 ARG HG2 H 1.35 0 1 80 . 14 ARG HG3 H 1.35 0 1 81 . 14 ARG HD2 H 3.03 0 1 82 . 14 ARG HD3 H 3.03 0 1 83 . 14 ARG HE H 6.93 0 1 84 . 15 TYR H H 7.77 0 1 85 . 15 TYR HA H 4.47 0 1 86 . 15 TYR HB2 H 2.96 0 2 87 . 15 TYR HB3 H 2.81 0 2 88 . 15 TYR HD1 H 6.98 0 1 89 . 15 TYR HD2 H 6.98 0 1 90 . 15 TYR HE1 H 6.74 0 1 91 . 15 TYR HE2 H 6.74 0 1 92 . 16 TYR H H 7.73 0 1 93 . 16 TYR HA H 4.44 0 1 94 . 16 TYR HB2 H 2.96 0 2 95 . 16 TYR HB3 H 2.90 0 2 96 . 16 TYR HD1 H 7.02 0 1 97 . 16 TYR HD2 H 7.02 0 1 98 . 16 TYR HE1 H 6.75 0 1 99 . 16 TYR HE2 H 6.75 0 1 100 . 17 ARG H H 7.83 0 1 101 . 17 ARG HA H 4.18 0 1 102 . 17 ARG HB2 H 1.77 0 2 103 . 17 ARG HB3 H 1.65 0 2 104 . 17 ARG HG2 H 1.49 0 1 105 . 17 ARG HG3 H 1.49 0 1 106 . 17 ARG HD2 H 3.13 0 1 107 . 17 ARG HD3 H 3.13 0 1 108 . 17 ARG HE H 7.02 0 1 109 . 18 GLU H H 7.97 0 1 110 . 18 GLU HA H 4.22 0 0 111 . 18 GLU HB2 H 2.04 0 2 112 . 18 GLU HB3 H 1.93 0 2 113 . 18 GLU HG2 H 2.41 0 1 114 . 18 GLU HG3 H 2.41 0 1 115 . 19 ASN H H 8.16 0 1 116 . 19 ASN HA H 4.59 0 1 117 . 19 ASN HB2 H 2.71 0 2 118 . 19 ASN HB3 H 2.69 0 2 119 . 20 MET H H 7.91 0 1 120 . 20 MET HA H 4.33 0 1 121 . 20 MET HB2 H 1.82 0 1 122 . 20 MET HB3 H 1.82 0 1 123 . 20 MET HG2 H 2.36 0 1 124 . 20 MET HG3 H 2.36 0 1 125 . 20 MET HE H 1.88 0 1 126 . 21 TYR H H 7.85 0 1 127 . 21 TYR HA H 4.56 0 1 128 . 21 TYR HB2 H 3.12 0 2 129 . 21 TYR HB3 H 2.91 0 2 130 . 21 TYR HD1 H 7.08 0 1 131 . 21 TYR HD2 H 7.08 0 1 132 . 21 TYR HE1 H 6.79 0 1 133 . 21 TYR HE2 H 6.79 0 1 stop_ save_