data_5196 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Modified Peptide A (D18-A1) of the Rabbit Skeletal Dihydropyridine Receptor ; _BMRB_accession_number 5196 _BMRB_flat_file_name bmr5196.str _Entry_type original _Submission_date 2001-10-30 _Accession_date 2001-10-30 _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 Green D. . . 2 Pace S. . . 3 Sakowska M. . . 4 Dulhunty A. F. . 5 Casarotto M. G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "coupling constants" 12 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-06-10 original author . stop_ _Original_release_date 2003-06-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Three-dimensional Structural Surface of Two Beta-sheet Scorpion Toxins Mimics that of an Alpha-Helical Dihydropyridine Receptor Segment ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22478819 _PubMed_ID 12429019 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Green D. . . 2 Pace S. . . 3 Curtis S. M. . 4 Sakowska M. . . 5 Lamb G. D. . 6 Dulhunty A. F. . 7 Casarotto M. G. . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_volume 370 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 517 _Page_last 527 _Year 2003 _Details . loop_ _Keyword 'Alpha helical peptide' DHPR D-isomer stop_ save_ ################################## # Molecular system description # ################################## save_system_SDR _Saveframe_category molecular_system _Mol_system_name 'Skeletal Dihydropydrine Receptor' _Abbreviation_common SDR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Skeletal Dihydropydrine Receptor' $SDR 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_SDR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Skeletal Dihydropydrine Receptor' _Abbreviation_common SDR _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 21 _Mol_residue_sequence TSAQKAKAEERKRRKMSXGLX loop_ _Residue_seq_code _Residue_label 1 THR 2 SER 3 ALA 4 GLN 5 LYS 6 ALA 7 LYS 8 ALA 9 GLU 10 GLU 11 ARG 12 LYS 13 ARG 14 ARG 15 LYS 16 MET 17 SER 18 DAR 19 GLY 20 LEU 21 NH2 stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2007-11-12 save_ ###################### # Polymer residues # ###################### save_chem_comp_DAR _Saveframe_category polymer_residue _Mol_type 'D-PEPTIDE LINKING' _Name_common D-ARGININE _BMRB_code DAR _PDB_code DAR _Standard_residue_derivative . _Molecular_mass 175.209 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CD CD C . 0 . ? CG CG C . 0 . ? CZ CZ C . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HD2 HD2 H . 0 . ? HD3 HD3 H . 0 . ? HE HE H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HH11 HH11 H . 0 . ? HH12 HH12 H . 0 . ? HH21 HH21 H . 0 . ? HH22 HH22 H . 0 . ? HXT HXT H . 0 . ? N N N . 0 . ? NE NE N . 0 . ? NH1 NH1 N . 0 . ? NH2 NH2 N . 1 . ? O O O . 0 . ? OXT OXT O . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG HG2 ? ? SING CG HG3 ? ? SING CD NE ? ? SING CD HD2 ? ? SING CD HD3 ? ? SING NE CZ ? ? SING NE HE ? ? SING CZ NH1 ? ? DOUB CZ NH2 ? ? SING NH1 HH11 ? ? SING NH1 HH12 ? ? SING NH2 HH21 ? ? SING NH2 HH22 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'AMINO GROUP' _BMRB_code NH2 _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N HN1 ? ? SING N HN2 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SDR Rabbit 9986 Eukaryota Metazoa Oryctolagus cuniculus 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 $SDR '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 $SDR . mM 2 3 . H2O 90 % . . . D2O 10 % . . . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.851 loop_ _Task refinement stop_ _Details Brunger save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 . n/a temperature 278 . K pressure 1 . atm stop_ save_ ######################## # Coupling constants # ######################## save_J-values_set_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'Skeletal Dihydropydrine Receptor' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 2 SER H 2 SER HA 4.5 . . . 2 3JHNHA 3 ALA H 3 ALA HA 4.9 . . . 3 3JHNHA 4 GLN H 4 GLN HA 5.0 . . . 4 3JHNHA 5 LYS H 5 LYS HA 4.0 . . . 5 3JHNHA 7 LYS H 7 LYS HA 5.4 . . . 6 3JHNHA 9 GLU H 9 GLU HA 4.4 . . . 7 3JHNHA 11 ARG H 11 ARG HA 4.6 . . . 8 3JHNHA 12 LYS H 12 LYS HA 5.3 . . . 9 3JHNHA 16 MET H 16 MET HA 5.2 . . . 10 3JHNHA 17 SER H 17 SER HA 6.8 . . . 11 3JHNHA 18 DAR H 18 DAR HA 5.8 . . . 12 3JHNHA 19 GLY H 19 GLY HA 6.2 . . . stop_ save_