data_4292 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of PSP1, Plasmatocyte-spreading Peptide from Pseudoplusia includens ; _BMRB_accession_number 4292 _BMRB_flat_file_name bmr4292.str _Entry_type original _Submission_date 1998-11-24 _Accession_date 1998-11-24 _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 Volkman B. F. . 2 Clark K. D. . 3 Anderson M. E. . 4 Pech L. L. . 5 Markley J. L. . 6 Strand M. R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-02 original BMRB . stop_ _Original_release_date 1998-11-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the Insect Cytokine Peptide PSP1 from Pseudoplusia includens ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99143099 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Volkman B. F. . 2 Anderson M. E. . 3 Clark K. D. . 4 Hayakawa Y. . . 5 Strand M. R. . 6 Markley J. L. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'Journal of Biological Chemistry' _Journal_volume 274 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4493 _Page_last 4496 _Year 1999 _Details . loop_ _Keyword EGF-like 'insect cytokine' plasmatocyte-spreading stop_ save_ ################################## # Molecular system description # ################################## save_system_psp1 _Saveframe_category molecular_system _Mol_system_name 'plasmatocyte-spreading peptide' _Abbreviation_common psp1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label psp1 $psp1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_psp1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'plasmatocyte-spreading peptide' _Name_variant none _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; ENFNGGCLAGYMRTADGRCK PTF ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 ASN 3 PHE 4 ASN 5 GLY 6 GLY 7 CYS 8 LEU 9 ALA 10 GLY 11 TYR 12 MET 13 ARG 14 THR 15 ALA 16 ASP 17 GLY 18 ARG 19 CYS 20 LYS 21 PRO 22 THR 23 PHE stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 1B1V 'Nmr Structure Of Psp1, Plasmatocyte-Spreading Peptide From Pseudoplusia Includens' 95.65 23 100.00 100.00 1.48e-04 PDB 1B5N 'Nmr Structure Of Psp1, Plasmatocyte-Spreading Peptide From Pseudoplusia Includens' 95.65 23 100.00 100.00 1.48e-04 GenBank AAC16546 'plasmatocyte-spreading peptide precursor [Pseudoplusia includens]' 100.00 141 100.00 100.00 4.23e-06 SWISS-PROT O61704 'Plasmatocyte-spreading peptide precursor' 100.00 141 100.00 100.00 4.23e-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 _Tissue $psp1 'soybean looper (moth)' 76492 Eukaryota Metazoa Pseudoplusia includens hemolymph 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 $psp1 '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 $psp1 1.8 mM . 'Na phosphate' 20 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . n/a pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 DDS H 1 'methyl protons' ppm 0 external direct external . . 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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label TOCSY NOESY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name psp1 _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 GLU HA H 3.97 . 1 2 . 1 GLU HB3 H 1.98 . 2 3 . 1 GLU HG2 H 2.24 . 2 4 . 1 GLU HG3 H 2.23 . 2 5 . 2 ASN H H 8.98 . 1 6 . 2 ASN HA H 4.75 . 1 7 . 2 ASN HB2 H 2.70 . 2 8 . 2 ASN HB3 H 2.77 . 2 9 . 2 ASN HD21 H 7.00 . 2 10 . 2 ASN HD22 H 7.68 . 2 11 . 3 PHE H H 8.73 . 1 12 . 3 PHE HA H 4.63 . 1 13 . 3 PHE HB2 H 3.09 . 2 14 . 3 PHE HB3 H 3.12 . 2 15 . 3 PHE HD1 H 7.29 . 1 16 . 3 PHE HD2 H 7.29 . 1 17 . 3 PHE HE1 H 7.36 . 1 18 . 3 PHE HE2 H 7.36 . 1 19 . 3 PHE HZ H 7.29 . 1 20 . 4 ASN H H 8.69 . 1 21 . 4 ASN HA H 4.64 . 1 22 . 4 ASN HB2 H 2.59 . 2 23 . 4 ASN HB3 H 2.87 . 2 24 . 4 ASN HD21 H 7.35 . 2 25 . 4 ASN HD22 H 6.95 . 2 26 . 5 GLY H H 8.00 . 1 27 . 5 GLY HA3 H 4.05 . 2 28 . 5 GLY HA2 H 3.88 . 2 29 . 6 GLY H H 8.23 . 1 30 . 6 GLY HA2 H 3.86 . 2 31 . 6 GLY HA3 H 4.04 . 2 32 . 7 CYS H H 8.00 . 1 33 . 7 CYS HA H 4.79 . 1 34 . 7 CYS HB2 H 2.62 . 2 35 . 7 CYS HB3 H 3.17 . 2 36 . 8 LEU H H 8.68 . 1 37 . 8 LEU HA H 4.20 . 1 38 . 8 LEU HB2 H 1.61 . 2 39 . 8 LEU HB3 H 1.37 . 2 40 . 8 LEU HG H 1.53 . 1 41 . 8 LEU HD1 H 0.82 . 2 42 . 8 LEU HD2 H 0.74 . 2 43 . 9 ALA H H 8.27 . 1 44 . 9 ALA HA H 4.22 . 1 45 . 9 ALA HB H 1.42 . 1 46 . 10 GLY H H 8.89 . 1 47 . 10 GLY HA3 H 3.60 . 2 48 . 10 GLY HA2 H 4.24 . 2 49 . 11 TYR H H 8.38 . 1 50 . 11 TYR HA H 5.11 . 1 51 . 11 TYR HB2 H 2.43 . 2 52 . 11 TYR HB3 H 3.41 . 2 53 . 11 TYR HD1 H 6.73 . 1 54 . 11 TYR HD2 H 6.73 . 1 55 . 11 TYR HE1 H 6.82 . 1 56 . 11 TYR HE2 H 6.82 . 1 57 . 12 MET H H 9.39 . 1 58 . 12 MET HA H 4.80 . 1 59 . 12 MET HB2 H 1.96 . 2 60 . 12 MET HB3 H 1.89 . 2 61 . 12 MET HG2 H 2.37 . 2 62 . 12 MET HG3 H 2.44 . 2 63 . 12 MET HE H 2.03 . 1 64 . 13 ARG H H 8.62 . 1 65 . 13 ARG HA H 5.05 . 1 66 . 13 ARG HB2 H 1.82 . 1 67 . 13 ARG HB3 H 1.82 . 1 68 . 13 ARG HG2 H 1.62 . 1 69 . 13 ARG HG3 H 1.62 . 1 70 . 13 ARG HD2 H 3.08 . 1 71 . 13 ARG HD3 H 3.08 . 1 72 . 13 ARG HE H 7.11 . 1 73 . 14 THR H H 9.07 . 1 74 . 14 THR HA H 4.67 . 1 75 . 14 THR HB H 4.60 . 1 76 . 14 THR HG2 H 1.25 . 1 77 . 15 ALA H H 9.01 . 1 78 . 15 ALA HA H 4.15 . 1 79 . 15 ALA HB H 1.49 . 1 80 . 16 ASP H H 8.12 . 1 81 . 16 ASP HA H 4.60 . 1 82 . 16 ASP HB2 H 2.64 . 2 83 . 16 ASP HB3 H 2.99 . 2 84 . 17 GLY H H 8.14 . 1 85 . 17 GLY HA3 H 3.62 . 2 86 . 17 GLY HA2 H 4.22 . 2 87 . 18 ARG H H 7.72 . 1 88 . 18 ARG HA H 4.50 . 1 89 . 18 ARG HB2 H 1.81 . 2 90 . 18 ARG HB3 H 1.82 . 2 91 . 18 ARG HG2 H 1.54 . 2 92 . 18 ARG HG3 H 1.50 . 2 93 . 18 ARG HD2 H 3.16 . 2 94 . 18 ARG HD3 H 3.18 . 2 95 . 18 ARG HE H 7.49 . 1 96 . 19 CYS H H 8.71 . 1 97 . 19 CYS HA H 5.36 . 1 98 . 19 CYS HB2 H 2.80 . 2 99 . 19 CYS HB3 H 2.81 . 2 100 . 20 LYS H H 9.47 . 1 101 . 20 LYS HA H 5.11 . 1 102 . 20 LYS HB2 H 1.74 . 2 103 . 20 LYS HB3 H 1.84 . 2 104 . 20 LYS HG2 H 1.41 . 2 105 . 20 LYS HG3 H 1.47 . 2 106 . 20 LYS HD2 H 1.68 . 1 107 . 20 LYS HD3 H 1.68 . 1 108 . 20 LYS HE2 H 2.99 . 2 109 . 20 LYS HE3 H 2.97 . 2 110 . 21 PRO HA H 3.89 . 1 111 . 21 PRO HB2 H 1.51 . 2 112 . 21 PRO HB3 H 1.62 . 2 113 . 21 PRO HG2 H 2.00 . 2 114 . 21 PRO HG3 H 1.81 . 2 115 . 21 PRO HD2 H 3.71 . 2 116 . 21 PRO HD3 H 3.85 . 2 117 . 22 THR H H 8.06 . 1 118 . 22 THR HA H 4.11 . 1 119 . 22 THR HB H 4.09 . 1 120 . 22 THR HG2 H 1.00 . 1 121 . 23 PHE H H 7.35 . 1 122 . 23 PHE HA H 4.44 . 1 123 . 23 PHE HB2 H 3.04 . 2 124 . 23 PHE HB3 H 3.01 . 2 125 . 23 PHE HD1 H 7.20 . 1 126 . 23 PHE HD2 H 7.20 . 1 127 . 23 PHE HE1 H 7.26 . 1 128 . 23 PHE HE2 H 7.26 . 1 129 . 23 PHE HZ H 7.11 . 1 stop_ save_