data_5835 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Solution Structure and Dynamics of Recombinant Onconases ; _BMRB_accession_number 5835 _BMRB_flat_file_name bmr5835.str _Entry_type original _Submission_date 2003-06-17 _Accession_date 2003-06-18 _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 Gorbatyuk Vitaliy Y. . 2 Tsai Chen-Kuon . . 3 Chang Chi-Fon . . 4 Huang Tai-huang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "coupling constants" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-03-07 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 4371 'chemical shifts of recombinant onconases' stop_ _Original_release_date 2003-06-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Effect of N-terminal and Met23 mutations on the structure and dynamics of onconase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14645226 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gorbatyuk Vitaliy Y. . 2 Tsai Chen-Kuon . . 3 Chang Chi-Fon . . 4 Huang Tai-huang . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 279 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5772 _Page_last 5780 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_(M-1_Q1_M23L)rOnc _Saveframe_category molecular_system _Mol_system_name 'Recombinant onconase' _Abbreviation_common 'onconase, ranpirnase, p30 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label (M-1,Q1,M23L)rOnc $M-1_Q1_M23L_rOnc stop_ _System_molecular_weight 11958 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'anti-tumor agent' 'cytotoxic protein' ribonuclease stop_ _Database_query_date . _Details 'This is recombinant Met-1, Gln1, and Leu23 Onconase.' save_ ######################## # Monomeric polymers # ######################## save_M-1_Q1_M23L_rOnc _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common (M-1,Q1,M23L)rONC _Abbreviation_common 'onconase, ranpirnase' _Molecular_mass 11958 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; MQDWLTFQKKHITNTRDVDC DNILSTNLFHCKDKNTFIYS RPEPVKAICKGIIASKNVLT TSEFYLSDCNVTSRPCKYKL KKSTNKFCVTCENQAPVHFV GVGSC ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 ASP 4 TRP 5 LEU 6 THR 7 PHE 8 GLN 9 LYS 10 LYS 11 HIS 12 ILE 13 THR 14 ASN 15 THR 16 ARG 17 ASP 18 VAL 19 ASP 20 CYS 21 ASP 22 ASN 23 ILE 24 LEU 25 SER 26 THR 27 ASN 28 LEU 29 PHE 30 HIS 31 CYS 32 LYS 33 ASP 34 LYS 35 ASN 36 THR 37 PHE 38 ILE 39 TYR 40 SER 41 ARG 42 PRO 43 GLU 44 PRO 45 VAL 46 LYS 47 ALA 48 ILE 49 CYS 50 LYS 51 GLY 52 ILE 53 ILE 54 ALA 55 SER 56 LYS 57 ASN 58 VAL 59 LEU 60 THR 61 THR 62 SER 63 GLU 64 PHE 65 TYR 66 LEU 67 SER 68 ASP 69 CYS 70 ASN 71 VAL 72 THR 73 SER 74 ARG 75 PRO 76 CYS 77 LYS 78 TYR 79 LYS 80 LEU 81 LYS 82 LYS 83 SER 84 THR 85 ASN 86 LYS 87 PHE 88 CYS 89 VAL 90 THR 91 CYS 92 GLU 93 ASN 94 GLN 95 ALA 96 PRO 97 VAL 98 HIS 99 PHE 100 VAL 101 GLY 102 VAL 103 GLY 104 SER 105 CYS 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 BMRB 4371 'Recombinant Onconase/ranpirnase' 100.00 105 100.00 100.00 1.68e-55 PDB 1ONC 'The Refined 1.7 Angstroms X-Ray Crystallographic Structure Of P-30, An Amphibian Ribonuclease With Anti-Tumor Activity' 98.10 104 99.03 100.00 8.68e-54 PDB 1PU3 'The Solution Nmr Structure And Dynamics Of A Recombinant Onconase With Altered N-Terminal And Met23 Residues' 100.00 105 100.00 100.00 1.68e-55 PDB 1YV4 'X-Ray Structure Of M23l Onconase At 100k' 98.10 104 100.00 100.00 5.77e-54 PDB 1YV6 'X-Ray Structure Of M23l Onconase At 298k' 98.10 104 100.00 100.00 5.77e-54 PDB 1YV7 'X-Ray Structure Of (C87s,Des103-104) Onconase' 96.19 102 98.02 99.01 6.43e-52 PDB 2I5S 'Crystal Structure Of Onconase With Bound Nucleic Acid' 98.10 104 99.03 100.00 8.68e-54 GenBank AAL54383 'onconase precursor [Rana pipiens]' 99.05 127 99.04 100.00 8.90e-55 SWISS-PROT P22069 'P-30 protein (Onconase)' 99.05 104 99.04 100.00 1.69e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $M-1_Q1_M23L_rOnc 'Northern leopard frog' 8404 Eukaryota Metazoa Rana pipiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $M-1_Q1_M23L_rOnc 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET-11d 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 $M-1_Q1_M23L_rOnc 1.5 mM '[U-15N; U-13C]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNHA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_set_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 4.1 0.1 n/a temperature 310 0.5 K stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D HNHA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_set_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name (M-1,Q1,M23L)rOnc _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 3 ASP H 3 ASP HA 7.21 . . 0.5 2 3JHNHA 4 TRP H 4 TRP HA 2.3 . . 0.5 3 3JHNHA 5 LEU H 5 LEU HA 3.84 . . 0.5 4 3JHNHA 6 THR H 6 THR HA 4.42 . . 0.5 5 3JHNHA 7 PHE H 7 PHE HA 2.87 . . 0.5 6 3JHNHA 8 GLN H 8 GLN HA 3.79 . . 0.5 7 3JHNHA 9 LYS H 9 LYS HA 4.56 . . 0.5 8 3JHNHA 11 HIS H 11 HIS HA 11.41 . . 0.5 9 3JHNHA 12 ILE H 12 ILE HA 8.9 . . 0.5 10 3JHNHA 13 THR H 13 THR HA 9.08 . . 0.5 11 3JHNHA 14 ASN H 14 ASN HA 9.05 . . 0.5 12 3JHNHA 15 THR H 15 THR HA 9.94 . . 0.5 13 3JHNHA 16 ARG H 16 ARG HA 5.18 . . 0.5 14 3JHNHA 17 ASP H 17 ASP HA 8.67 . . 0.5 15 3JHNHA 18 VAL H 18 VAL HA 4.92 . . 0.5 16 3JHNHA 19 ASP H 19 ASP HA 7.23 . . 0.5 17 3JHNHA 20 CYS H 20 CYS HA 1.5 . . 0.5 18 3JHNHA 21 ASP H 21 ASP HA 2.04 . . 0.5 19 3JHNHA 22 ASN H 22 ASN HA 9.01 . . 0.5 20 3JHNHA 23 ILE H 23 ILE HA 6.94 . . 0.5 21 3JHNHA 25 SER H 25 SER HA 8.39 . . 0.5 22 3JHNHA 26 THR H 26 THR HA 8.02 . . 0.5 23 3JHNHA 29 PHE H 29 PHE HA 10.45 . . 0.5 24 3JHNHA 30 HIS H 30 HIS HA 6.22 . . 0.5 25 3JHNHA 31 CYS H 31 CYS HA 5.68 . . 0.5 26 3JHNHA 32 LYS H 32 LYS HA 2.49 . . 0.5 27 3JHNHA 33 ASP H 33 ASP HA 2.17 . . 0.5 28 3JHNHA 34 LYS H 34 LYS HA 8.81 . . 0.5 29 3JHNHA 35 ASN H 35 ASN HA 6.78 . . 0.5 30 3JHNHA 36 THR H 36 THR HA 8.58 . . 0.5 31 3JHNHA 37 PHE H 37 PHE HA 8.77 . . 0.5 32 3JHNHA 38 ILE H 38 ILE HA 8.62 . . 0.5 33 3JHNHA 39 TYR H 39 TYR HA 6.84 . . 0.5 34 3JHNHA 40 SER H 40 SER HA 6.83 . . 0.5 35 3JHNHA 41 ARG H 41 ARG HA 5.94 . . 0.5 36 3JHNHA 43 GLU H 43 GLU HA 2.83 . . 0.5 37 3JHNHA 45 VAL H 45 VAL HA 9.6 . . 0.5 38 3JHNHA 47 ALA H 47 ALA HA 3.05 . . 0.5 39 3JHNHA 48 ILE H 48 ILE HA 4.02 . . 0.5 40 3JHNHA 49 CYS H 49 CYS HA 10.05 . . 0.5 41 3JHNHA 50 LYS H 50 LYS HA 2.17 . . 0.5 42 3JHNHA 52 ILE H 52 ILE HA 9.4 . . 0.5 43 3JHNHA 53 ILE H 53 ILE HA 9.19 . . 0.5 44 3JHNHA 55 SER H 55 SER HA 1.71 . . 0.5 45 3JHNHA 56 LYS H 56 LYS HA 7.48 . . 0.5 46 3JHNHA 57 ASN H 57 ASN HA 7.0 . . 0.5 47 3JHNHA 58 VAL H 58 VAL HA 9.06 . . 0.5 48 3JHNHA 59 LEU H 59 LEU HA 8.92 . . 0.5 49 3JHNHA 61 THR H 61 THR HA 6.73 . . 0.5 50 3JHNHA 62 SER H 62 SER HA 9.92 . . 0.5 51 3JHNHA 63 GLU H 63 GLU HA 8.28 . . 0.5 52 3JHNHA 64 PHE H 64 PHE HA 9.04 . . 0.5 53 3JHNHA 65 TYR H 65 TYR HA 6.14 . . 0.5 54 3JHNHA 66 LEU H 66 LEU HA 8.34 . . 0.5 55 3JHNHA 67 SER H 67 SER HA 6.81 . . 0.5 56 3JHNHA 68 ASP H 68 ASP HA 7.96 . . 0.5 57 3JHNHA 69 CYS H 69 CYS HA 9.14 . . 0.5 58 3JHNHA 70 ASN H 70 ASN HA 9.75 . . 0.5 59 3JHNHA 71 VAL H 71 VAL HA 2.77 . . 0.5 60 3JHNHA 72 THR H 72 THR HA 9.81 . . 0.5 61 3JHNHA 73 SER H 73 SER HA 4.64 . . 0.5 62 3JHNHA 76 CYS H 76 CYS HA 6.47 . . 0.5 63 3JHNHA 77 LYS H 77 LYS HA 11.03 . . 0.5 64 3JHNHA 78 TYR H 78 TYR HA 8.38 . . 0.5 65 3JHNHA 79 LYS H 79 LYS HA 9.74 . . 0.5 66 3JHNHA 80 LEU H 80 LEU HA 7.71 . . 0.5 67 3JHNHA 81 LYS H 81 LYS HA 7.38 . . 0.5 68 3JHNHA 82 LYS H 82 LYS HA 8.02 . . 0.5 69 3JHNHA 83 SER H 83 SER HA 6.6 . . 0.5 70 3JHNHA 84 THR H 84 THR HA 9.99 . . 0.5 71 3JHNHA 85 ASN H 85 ASN HA 5.03 . . 0.5 72 3JHNHA 86 LYS H 86 LYS HA 7.71 . . 0.5 73 3JHNHA 88 CYS H 88 CYS HA 8.97 . . 0.5 74 3JHNHA 89 VAL H 89 VAL HA 9.37 . . 0.5 75 3JHNHA 91 CYS H 91 CYS HA 8.42 . . 0.5 76 3JHNHA 92 GLU H 92 GLU HA 7.22 . . 0.5 77 3JHNHA 93 ASN H 93 ASN HA 5.17 . . 0.5 78 3JHNHA 94 GLN H 94 GLN HA 6.66 . . 0.5 79 3JHNHA 95 ALA H 95 ALA HA 8.82 . . 0.5 80 3JHNHA 97 VAL H 97 VAL HA 10.72 . . 0.5 81 3JHNHA 100 VAL H 100 VAL HA 9.49 . . 0.5 82 3JHNHA 102 VAL H 102 VAL HA 8.59 . . 0.5 83 3JHNHA 104 SER H 104 SER HA 7.87 . . 0.5 84 3JHNHA 105 CYS H 105 CYS HA 9.19 . . 0.5 stop_ save_