data_1483 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Microviridin: A Novel Tricyclic Depsipeptide from the Toxic Cyanobacterium Microcystis viridis ; _BMRB_accession_number 1483 _BMRB_flat_file_name bmr1483.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _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 Ishitsuka Midori O. . 2 Kusumi Takenori . . 3 Kakisawa Hiroshi . . 4 Kaya Kunimitsu . . 5 Watanabe Makoto M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 43 "13C chemical shifts" 47 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Ishitsuka, Midori O., Kusumi, Takenori, Kakisawa, Hiroshi, Kaya, Kunimitsu, Watanabe, Makoto M., "Microviridin: A Novel Tricyclic Depsipeptide from the Toxic Cyanobacterium Microcystis viridis," J. Am. Chem. Soc. 112 (22), 8180-8182 (1990). ; _Citation_title ; Microviridin: A Novel Tricyclic Depsipeptide from the Toxic Cyanobacterium Microcystis viridis ; _Citation_status published _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 Ishitsuka Midori O. . 2 Kusumi Takenori . . 3 Kakisawa Hiroshi . . 4 Kaya Kunimitsu . . 5 Watanabe Makoto M. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 112 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8180 _Page_last 8182 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_microviridin _Saveframe_category molecular_system _Mol_system_name microviridin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label microviridin $microviridin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_microviridin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common microviridin _Name_variant 'tricyclic depsipeptide' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 14 _Mol_residue_sequence YGGTFKYPSDWEEY loop_ _Residue_seq_code _Residue_label 1 TYR 2 GLY 3 GLY 4 THR 5 PHE 6 LYS 7 TYR 8 PRO 9 SER 10 ASP 11 TRP 12 GLU 13 GLU 14 TYR stop_ _Sequence_homology_query_date 2005-11-24 _Sequence_homology_query_revised_last_date 2005-11-22 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $microviridin . . . . Microcystis viridis NIES-102 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 $microviridin 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . 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_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH . . na temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_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 CD3OD C . . ppm 49 . . . . . . H . . ppm 3.4 . . . . . 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name microviridin _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 GLY H H 8.55 . 1 2 . 2 GLY CA C 43.5 . 1 3 . 2 GLY HA2 H 3.9 . 2 4 . 2 GLY C C 172.2 . 1 5 . 2 GLY HA3 H 4.04 . 2 6 . 3 GLY H H 8.13 . 1 7 . 3 GLY CA C 43.22 . 1 8 . 3 GLY HA2 H 4.09 . 2 9 . 3 GLY C C 171.6 . 1 10 . 3 GLY HA3 H 4 . 2 11 . 5 PHE H H 8.97 . 1 12 . 5 PHE CA C 55.79 . 1 13 . 5 PHE HA H 4.67 . 1 14 . 5 PHE C C 172.2 . 1 15 . 5 PHE CB C 38.33 . 1 16 . 5 PHE CG C 138.52 . 1 17 . 5 PHE HB2 H 2.83 . 2 18 . 5 PHE HB3 H 3.35 . 2 19 . 5 PHE CD1 C 130.23 . 1 20 . 5 PHE CD2 C 130.23 . 1 21 . 5 PHE CE1 C 129.39 . 1 22 . 5 PHE CE2 C 129.39 . 1 23 . 5 PHE CZ C 127.6 . 1 24 . 7 TYR H H 8.4 . 1 25 . 7 TYR CA C 53.95 . 1 26 . 7 TYR HA H 4.5 . 1 27 . 7 TYR C C 173.7 . 1 28 . 7 TYR CB C 38.91 . 1 29 . 7 TYR CG C 127.64 . 1 30 . 7 TYR HB2 H 2.94 . 1 31 . 7 TYR HB3 H 2.94 . 1 32 . 7 TYR CD1 C 131.32 . 1 33 . 7 TYR CD2 C 131.32 . 1 34 . 7 TYR CE1 C 116.37 . 1 35 . 7 TYR HD1 H 7.11 . 1 36 . 7 TYR CE2 C 116.37 . 1 37 . 7 TYR HD2 H 7.11 . 1 38 . 7 TYR CZ C 157.75 . 1 39 . 7 TYR HE1 H 6.82 . 1 40 . 7 TYR HE2 H 6.82 . 1 41 . 8 PRO CA C 62.17 . 1 42 . 8 PRO HA H 3.64 . 1 43 . 8 PRO C C 173.8 . 1 44 . 8 PRO CB C 31.86 . 1 45 . 8 PRO CG C 23.27 . 1 46 . 8 PRO HB2 H 1.7 . 1 47 . 8 PRO HB3 H 1.7 . 1 48 . 8 PRO CD C 47.68 . 1 49 . 8 PRO HG2 H 1.7 . 1 50 . 8 PRO HG3 H 1.7 . 1 51 . 8 PRO HD2 H 3.45 . 1 52 . 8 PRO HD3 H 3.45 . 1 53 . 11 TRP H H 7.23 . 1 54 . 11 TRP CA C 55.69 . 1 55 . 11 TRP HA H 4.86 . 1 56 . 11 TRP C C 174.2 . 1 57 . 11 TRP CB C 26.52 . 1 58 . 11 TRP CG C 110.45 . 1 59 . 11 TRP HB2 H 3.54 . 2 60 . 11 TRP HB3 H 3.42 . 2 61 . 11 TRP CD1 C 124.59 . 1 62 . 11 TRP CD2 C 128.85 . 1 63 . 11 TRP HD1 H 7.22 . 1 64 . 11 TRP CE2 C 138.1 . 1 65 . 11 TRP HE1 H 10.55 . 1 66 . 11 TRP CE3 C 118.93 . 1 67 . 11 TRP CZ2 C 112.86 . 1 68 . 11 TRP CZ3 C 120.44 . 1 69 . 11 TRP HE3 H 7.66 . 1 70 . 11 TRP CH2 C 122.79 . 1 71 . 11 TRP HZ2 H 7.42 . 1 72 . 11 TRP HZ3 H 7.19 . 1 73 . 11 TRP HH2 H 7.22 . 1 74 . 14 TYR H H 7.68 . 1 75 . 14 TYR CA C 56.8 . 1 76 . 14 TYR HA H 4.53 . 1 77 . 14 TYR C C 176.1 . 1 78 . 14 TYR CB C 37.93 . 1 79 . 14 TYR CG C 129.68 . 1 80 . 14 TYR HB2 H 3.04 . 2 81 . 14 TYR HB3 H 3.2 . 2 82 . 14 TYR CD1 C 131.53 . 1 83 . 14 TYR CD2 C 131.53 . 1 84 . 14 TYR CE1 C 115.98 . 1 85 . 14 TYR HD1 H 7.14 . 1 86 . 14 TYR CE2 C 115.98 . 1 87 . 14 TYR HD2 H 7.14 . 1 88 . 14 TYR CZ C 156.62 . 1 89 . 14 TYR HE1 H 6.78 . 1 90 . 14 TYR HE2 H 6.78 . 1 stop_ save_