data_6698 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The structured core of a largely unstructured protein, malarial merozoite surface protein 2 (MSP2), is amyloidogenic ; _BMRB_accession_number 6698 _BMRB_flat_file_name bmr6698.str _Entry_type original _Submission_date 2005-06-21 _Accession_date 2005-06-22 _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 Keizer David W . 2 Adda Christopher G . 3 Murphy Vince J . 4 Rizkalla Michael M . 5 Jackson David C . 6 Anders Robin F . 7 Norton Raymond S . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-10-27 original author . stop_ _Original_release_date 2008-10-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A partially structured region of a largely unstructured protein, Plasmodium falciparum merozoite surface protein 2 (MSP2), forms amyloid-like fibrils' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17883245 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang X. . . 2 Adda Christopher G. . 3 Keizer David W. . 4 Murphy Vince J. . 5 Rizkalla M. M. . 6 Perugini M. A. . 7 Jackson David C. . 8 Anders Robin F. . 9 Norton Raymond S. . stop_ _Journal_abbreviation 'J. Pept. Sci.' _Journal_volume 13 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 839 _Page_last 848 _Year 2007 _Details . loop_ _Keyword malaria MSP2 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MSP2 peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MSP2 peptide' $MSP2_N-terminal_region stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MSP2_N-terminal_region _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'MSP2 N-terminal region' _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function Unknown stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 25 _Mol_residue_sequence ; IKNESKYSNTFINNAYNMSI RRSMA ; loop_ _Residue_seq_code _Residue_label 1 ILE 2 LYS 3 ASN 4 GLU 5 SER 6 LYS 7 TYR 8 SER 9 ASN 10 THR 11 PHE 12 ILE 13 ASN 14 ASN 15 ALA 16 TYR 17 ASN 18 MET 19 SER 20 ILE 21 ARG 22 ARG 23 SER 24 MET 25 ALA 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 15075 1-25MSP2 100.00 28 100.00 100.00 4.98e-07 BMRB 15590 MSP2 100.00 222 100.00 100.00 6.44e-08 BMRB 25202 entity 80.00 20 100.00 100.00 1.78e-03 PDB 2MU8 "Distorting Malaria Peptide Backbone Structure To Enable Fitting Into Mhc Class Ii Molecules Renders Modified Peptides Immunogen" 80.00 20 100.00 100.00 1.78e-03 EMBL CAA37829 "merozoite surface antigen 2 [Plasmodium falciparum]" 96.00 287 100.00 100.00 5.50e-07 EMBL CAA37830 "merozoite surface antigen 2 [Plasmodium falciparum]" 96.00 302 100.00 100.00 7.19e-07 EMBL CAA53701 "glycosylated and myristilated smaller surface antigen [Plasmodium falciparum]" 100.00 278 100.00 100.00 1.95e-07 EMBL CAA53946 "glycosylated and myristilated smaller surface antigen [Plasmodium falciparum]" 100.00 256 100.00 100.00 3.17e-07 EMBL CAA60699 "Merozoite surface antigen 2 [Plasmodium falciparum]" 100.00 264 100.00 100.00 4.25e-07 GB AAA19735 "merozoite surface antigen-2, partial [Plasmodium falciparum]" 100.00 264 100.00 100.00 1.92e-07 GB AAA19737 "merozoite surface antigen 2, partial [Plasmodium falciparum]" 96.00 293 100.00 100.00 3.95e-07 GB AAA19738 "merozoite surface antigen 2, partial [Plasmodium falciparum]" 100.00 248 100.00 100.00 1.48e-07 GB AAA19739 "merozoite surface antigen 2 [Plasmodium falciparum]" 96.00 223 100.00 100.00 5.46e-04 GB AAA19740 "merozoite surface antigen 2, partial [Plasmodium falciparum]" 96.00 291 100.00 100.00 1.70e-07 PIR B45632 "merozoite surface antigen 2 - malaria parasite (Plasmodium falciparum)" 96.00 286 100.00 100.00 6.96e-07 PIR C39112 "merozoite 45K surface antigen precursor - malaria parasite (Plasmodium falciparum) (isolate K1)" 100.00 280 100.00 100.00 3.66e-07 PRF 2023165A "surface antigen" 100.00 278 100.00 100.00 1.95e-07 PRF 2023165B "surface antigen" 100.00 256 100.00 100.00 3.17e-07 REF XP_001349578 "merozoite surface protein 2 precursor [Plasmodium falciparum 3D7]" 100.00 272 100.00 100.00 2.04e-07 SP P19260 "RecName: Full=Merozoite surface antigen 2, allelic form 2; Short=MSA-2; AltName: Full=Membrane protein PF7; Flags: Precursor [P" 96.00 287 100.00 100.00 5.50e-07 SP P19599 "RecName: Full=Merozoite surface antigen 2; Short=MSA-2; AltName: Full=AG513; AltName: Full=Merozoite 45 kDa surface antigen; Fl" 100.00 264 100.00 100.00 4.16e-07 SP P50496 "RecName: Full=Merozoite surface antigen 2; Short=MSA-2; Flags: Precursor [Plasmodium falciparum 311]" 96.00 286 100.00 100.00 6.89e-07 SP P50497 "RecName: Full=Merozoite surface antigen 2; Short=MSA-2; Flags: Precursor [Plasmodium falciparum KF1916]" 100.00 274 100.00 100.00 2.33e-07 SP P50498 "RecName: Full=Merozoite surface antigen 2; Short=MSA-2; AltName: Full=45 kDa merozoite surface antigen; Flags: Precursor [Plasm" 100.00 272 100.00 100.00 2.04e-07 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MSP2_N-terminal_region 'Plasmodium falciparum' 5833 Eukaryota . Plasmodium falciparum 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 $MSP2_N-terminal_region '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 _Isotopic_labeling $MSP2_N-terminal_region . nM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.4 0.1 pH stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'MSP2 peptide' _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 2 2 LYS H H 8.61 0.02 1 2 2 2 LYS HA H 4.32 0.02 1 3 2 2 LYS HB2 H 1.75 0.02 1 4 2 2 LYS HB3 H 1.75 0.02 1 5 2 2 LYS HG2 H 1.37 0.02 1 6 2 2 LYS HG3 H 1.37 0.02 1 7 3 3 ASN H H 8.62 0.02 1 8 3 3 ASN HA H 5.65 0.02 1 9 3 3 ASN HB2 H 2.71 0.02 2 10 3 3 ASN HB3 H 2.80 0.02 2 11 3 3 ASN HD21 H 7.52 0.02 1 12 3 3 ASN HD22 H 7.05 0.02 1 13 4 4 GLU H H 8.47 0.02 1 14 4 4 GLU HA H 4.31 0.02 1 15 4 4 GLU HB2 H 1.89 0.02 1 16 4 4 GLU HB3 H 1.89 0.02 1 17 4 4 GLU HG2 H 2.25 0.02 1 18 4 4 GLU HG3 H 2.25 0.02 1 19 5 5 SER H H 8.41 0.02 1 20 5 5 SER HA H 4.39 0.02 1 21 5 5 SER HB2 H 3.85 0.02 1 22 5 5 SER HB3 H 3.85 0.02 1 23 6 6 LYS H H 8.10 0.02 1 24 6 6 LYS HA H 4.17 0.02 1 25 6 6 LYS HB2 H 1.36 0.02 1 26 6 6 LYS HB3 H 1.36 0.02 1 27 6 6 LYS HG2 H 1.17 0.02 1 28 6 6 LYS HG3 H 1.17 0.02 1 29 7 7 TYR H H 8.04 0.02 1 30 7 7 TYR HA H 4.59 0.02 1 31 7 7 TYR HB2 H 2.85 0.02 1 32 7 7 TYR HB3 H 3.07 0.02 1 33 7 7 TYR HD1 H 7.08 0.02 1 34 8 8 SER H H 8.08 0.02 1 35 8 8 SER HA H 4.37 0.02 1 36 8 8 SER HB2 H 3.85 0.02 1 37 8 8 SER HB3 H 3.85 0.02 1 38 9 9 ASN H H 8.40 0.02 1 39 9 9 ASN HA H 4.70 0.02 1 40 9 9 ASN HB2 H 2.76 0.02 1 41 9 9 ASN HB3 H 2.76 0.02 1 42 10 10 THR H H 7.98 0.02 1 43 10 10 THR HA H 4.19 0.02 1 44 10 10 THR HB H 4.09 0.02 1 45 10 10 THR HG2 H 1.08 0.02 1 46 11 11 PHE H H 8.11 0.02 1 47 11 11 PHE HA H 4.56 0.02 1 48 11 11 PHE HB2 H 3.01 0.02 1 49 11 11 PHE HB3 H 3.09 0.02 1 50 11 11 PHE HD1 H 7.21 0.02 1 51 11 11 PHE HE1 H 7.32 0.02 1 52 11 11 PHE HZ H 7.29 0.02 1 53 12 12 ILE H H 7.91 0.02 1 54 12 12 ILE HA H 4.01 0.02 1 55 12 12 ILE HB H 1.74 0.02 1 56 12 12 ILE HG12 H 1.11 0.02 1 57 12 12 ILE HG13 H 1.40 0.02 1 58 12 12 ILE HG2 H 0.82 0.02 1 59 12 12 ILE HD1 H 0.78 0.02 1 60 13 13 ASN H H 8.30 0.02 1 61 13 13 ASN HA H 4.61 0.02 1 62 13 13 ASN HB2 H 2.69 0.02 1 63 13 13 ASN HB3 H 2.81 0.02 1 64 13 13 ASN HD21 H 6.92 0.02 1 65 13 13 ASN HD22 H 7.59 0.02 1 66 14 14 ASN H H 8.28 0.02 1 67 14 14 ASN HA H 4.64 0.02 1 68 14 14 ASN HB2 H 2.82 0.02 1 69 14 14 ASN HB3 H 2.82 0.02 1 70 14 14 ASN HD21 H 7.05 0.02 1 71 14 14 ASN HD22 H 7.52 0.02 1 72 15 15 ALA H H 8.14 0.02 1 73 15 15 ALA HA H 4.14 0.02 1 74 15 15 ALA HB H 1.26 0.02 1 75 16 16 TYR H H 8.01 0.02 1 76 16 16 TYR HA H 4.40 0.02 1 77 16 16 TYR HB2 H 2.95 0.02 1 78 16 16 TYR HB3 H 3.00 0.02 1 79 16 16 TYR HD1 H 7.11 0.02 1 80 17 17 ASN H H 8.14 0.02 1 81 17 17 ASN HA H 4.53 0.02 1 82 17 17 ASN HB2 H 2.79 0.02 1 83 17 17 ASN HB3 H 2.79 0.02 1 84 17 17 ASN HD21 H 6.94 0.02 1 85 17 17 ASN HD22 H 7.62 0.02 1 86 18 18 MET H H 8.16 0.02 1 87 18 18 MET HA H 4.47 0.02 1 88 18 18 MET HB2 H 2.08 0.02 1 89 18 18 MET HB3 H 2.08 0.02 1 90 18 18 MET HG2 H 2.56 0.02 1 91 18 18 MET HG3 H 2.65 0.02 1 92 18 18 MET HE H 2.08 0.02 1 93 19 19 SER H H 8.00 0.02 1 94 19 19 SER HA H 4.35 0.02 1 95 19 19 SER HB2 H 3.85 0.02 1 96 19 19 SER HB3 H 3.85 0.02 1 97 20 20 ILE H H 7.78 0.02 1 98 20 20 ILE HA H 4.09 0.02 1 99 20 20 ILE HB H 1.83 0.02 1 100 20 20 ILE HG12 H 1.12 0.02 1 101 20 20 ILE HG13 H 1.37 0.02 1 102 20 20 ILE HG2 H 0.82 0.02 1 103 21 21 ARG H H 8.30 0.02 1 104 21 21 ARG HA H 4.33 0.02 1 105 21 21 ARG HB2 H 1.80 0.02 1 106 21 21 ARG HB3 H 1.87 0.02 1 107 21 21 ARG HG2 H 1.64 0.02 1 108 21 21 ARG HG3 H 1.64 0.02 1 109 21 21 ARG HD2 H 3.19 0.02 1 110 21 21 ARG HD3 H 3.19 0.02 1 111 22 22 ARG H H 8.30 0.02 1 112 22 22 ARG HA H 4.33 0.02 1 113 22 22 ARG HB2 H 1.80 0.02 1 114 22 22 ARG HB3 H 1.87 0.02 1 115 22 22 ARG HG2 H 1.64 0.02 1 116 22 22 ARG HG3 H 1.64 0.02 1 117 22 22 ARG HD2 H 3.19 0.02 1 118 22 22 ARG HD3 H 3.19 0.02 1 119 23 23 SER H H 8.20 0.02 1 120 23 23 SER HA H 4.42 0.02 1 121 23 23 SER HB2 H 3.90 0.02 1 122 23 23 SER HB3 H 3.90 0.02 1 123 24 24 MET H H 8.39 0.02 1 124 24 24 MET HA H 4.51 0.02 1 125 24 24 MET HB2 H 2.02 0.02 1 126 24 24 MET HB3 H 2.13 0.02 1 127 24 24 MET HG2 H 2.56 0.02 1 128 24 24 MET HG3 H 2.63 0.02 1 129 25 25 ALA H H 8.20 0.02 1 130 25 25 ALA HA H 4.37 0.02 1 131 25 25 ALA HB H 1.34 0.02 1 stop_ save_