data_1816 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Tendamistat (12-26) fragment (NMR characterization of isolated Beta-turn folding intermediates) ; _BMRB_accession_number 1816 _BMRB_flat_file_name bmr1816.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _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 Blanco Francisco J. . 2 Jimenez M. Angeles . 3 Rico Manuel . . 4 Santoro Jorge . . 5 Herranz Jose . . 6 Nieto Jose Luis . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-15 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Blanco, Francisco J., Jimenez, M. Angeles, Rico, Manuel, Santoro, Jorge, Herranz, Jose, Nieto, Jose Luis, "Tendamistat (12-26) fragment (NMR characterization of isolated Beta-turn folding intermediates)," Eur. J. Biochem. 200, 345-351 (1991). ; _Citation_title ; Tendamistat (12-26) fragment (NMR characterization of isolated Beta-turn folding intermediates) ; _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 Blanco Francisco J. . 2 Jimenez M. Angeles . 3 Rico Manuel . . 4 Santoro Jorge . . 5 Herranz Jose . . 6 Nieto Jose Luis . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 200 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 345 _Page_last 351 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_tendamistat _Saveframe_category molecular_system _Mol_system_name tendamistat _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tendamistat $tendamistat stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_tendamistat _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common tendamistat _Name_variant 'residues 10-28 isolated beta-turn folding intermediate' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 15 _Mol_residue_sequence VTLYQSWRYSQADNG loop_ _Residue_seq_code _Residue_label 1 VAL 2 THR 3 LEU 4 TYR 5 GLN 6 SER 7 TRP 8 ARG 9 TYR 10 SER 11 GLN 12 ALA 13 ASP 14 ASN 15 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 1642 tendamistat 100.00 74 100.00 100.00 2.01e-01 PDB 1BVN "Pig Pancreatic Alpha-Amylase In Complex With The Proteinaceous Inhibitor Tendamistat" 100.00 74 100.00 100.00 2.01e-01 PDB 1HOE "Crystal Structure Determination, Refinement And The Molecular Model Of The Alpha-Amylase Inhibitor Hoe-467a" 100.00 74 100.00 100.00 2.01e-01 PDB 1OK0 "Crystal Structure Of Tendamistat" 100.00 74 100.00 100.00 2.01e-01 PDB 2AIT "Determination Of The Complete Three-Dimensional Structure Of The Alpha-Amylase Inhibitor Tendamistat In Aqueous Solution By Nuc" 100.00 74 100.00 100.00 2.01e-01 PDB 3AIT "Restrained Energy Refinement With Two Different Algorithms And Force Fields Of The Structure Of The Alpha-Amylase Inhibitor Ten" 100.00 74 100.00 100.00 2.01e-01 PDB 4AIT "Restrained Energy Refinement With Two Different Algorithms And Force Fields Of The Structure Of The Alpha-Amylase Inhibitor Ten" 100.00 74 100.00 100.00 2.01e-01 GB AAA26686 "alpha-amylase inhibitor (tendamistat) [Streptomyces tendae]" 100.00 104 100.00 100.00 1.51e-01 PRF 0706243A "inhibitor Hoe476A,alpha amylase [Streptomyces tendae]" 100.00 74 100.00 100.00 2.01e-01 PRF 0706243A:PDB=1HOE,2AIT,3AIT,4AIT "inhibitor Hoe476A,alpha amylase [Streptomyces tendae]" 100.00 74 100.00 100.00 2.01e-01 SP P01092 "RecName: Full=Alpha-amylase inhibitor HOE-467A; AltName: Full=Tendamistat; Flags: Precursor" 100.00 104 100.00 100.00 1.51e-01 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $tendamistat . 1932 Bacteria . Streptomyces tendae generic 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 $tendamistat '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_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one 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 3 . na temperature 278 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP H . . ppm 0 . . . . . $entry_citation $entry_citation 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 tendamistat _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 VAL HA H 3.87 . 1 2 . 1 VAL HB H 2.21 . 1 3 . 1 VAL HG1 H 1 . 1 4 . 1 VAL HG2 H 1 . 1 5 . 2 THR H H 8.8 . 1 6 . 2 THR HA H 4.3 . 1 7 . 2 THR HB H 4.07 . 1 8 . 2 THR HG2 H 1.12 . 1 9 . 3 LEU H H 8.65 . 1 10 . 3 LEU HA H 4.29 . 1 11 . 3 LEU HB2 H 1.54 . 1 12 . 3 LEU HB3 H 1.54 . 1 13 . 3 LEU HG H 1.44 . 1 14 . 3 LEU HD1 H .82 . 2 15 . 3 LEU HD2 H .89 . 2 16 . 4 TYR H H 8.44 . 1 17 . 4 TYR HA H 4.44 . 1 18 . 4 TYR HB2 H 2.94 . 1 19 . 4 TYR HB3 H 2.94 . 1 20 . 4 TYR HD1 H 7.06 . 1 21 . 4 TYR HD2 H 7.06 . 1 22 . 4 TYR HE1 H 6.77 . 1 23 . 4 TYR HE2 H 6.77 . 1 24 . 5 GLN H H 8.31 . 1 25 . 5 GLN HA H 4.09 . 1 26 . 5 GLN HB2 H 1.67 . 1 27 . 5 GLN HB3 H 1.67 . 1 28 . 5 GLN HG2 H 2.12 . 2 29 . 5 GLN HG3 H 2.19 . 2 30 . 5 GLN HE21 H 6.96 . 2 31 . 5 GLN HE22 H 7.57 . 2 32 . 6 SER H H 8.4 . 1 33 . 6 SER HA H 4.22 . 1 34 . 6 SER HB2 H 3.94 . 2 35 . 6 SER HB3 H 3.87 . 2 36 . 7 TRP H H 8.04 . 1 37 . 7 TRP HA H 4.53 . 1 38 . 7 TRP HB2 H 3.22 . 2 39 . 7 TRP HB3 H 3.33 . 2 40 . 7 TRP HD1 H 7.2 . 1 41 . 7 TRP HE1 H 10.18 . 1 42 . 7 TRP HE3 H 7.49 . 1 43 . 7 TRP HZ2 H 7.45 . 1 44 . 7 TRP HZ3 H 7.1 . 1 45 . 7 TRP HH2 H 7.2 . 1 46 . 8 ARG H H 7.75 . 1 47 . 8 ARG HA H 3.91 . 1 48 . 8 ARG HB2 H 1.3 . 2 49 . 8 ARG HB3 H 1.44 . 2 50 . 8 ARG HG2 H 1.02 . 1 51 . 8 ARG HG3 H 1.02 . 1 52 . 8 ARG HD2 H 2.44 . 1 53 . 8 ARG HD3 H 2.44 . 1 54 . 8 ARG HE H 7.06 . 1 55 . 9 TYR H H 7.93 . 1 56 . 9 TYR HA H 4.44 . 1 57 . 9 TYR HB2 H 2.9 . 2 58 . 9 TYR HB3 H 3.07 . 2 59 . 9 TYR HD1 H 7.08 . 1 60 . 9 TYR HD2 H 7.08 . 1 61 . 9 TYR HE1 H 6.76 . 1 62 . 9 TYR HE2 H 6.76 . 1 63 . 10 SER H H 8.09 . 1 64 . 10 SER HA H 4.34 . 1 65 . 10 SER HB2 H 3.8 . 1 66 . 10 SER HB3 H 3.8 . 1 67 . 11 GLN H H 8.4 . 1 68 . 11 GLN HA H 4.22 . 1 69 . 11 GLN HB2 H 2.11 . 2 70 . 11 GLN HB3 H 1.95 . 2 71 . 11 GLN HG2 H 2.3 . 1 72 . 11 GLN HG3 H 2.3 . 1 73 . 11 GLN HE21 H 7.6 . 2 74 . 11 GLN HE22 H 6.94 . 2 75 . 12 ALA H H 8.34 . 1 76 . 12 ALA HA H 4.21 . 1 77 . 12 ALA HB H 1.37 . 1 78 . 13 ASP H H 8.46 . 1 79 . 13 ASP HA H 4.64 . 1 80 . 13 ASP HB2 H 2.82 . 2 81 . 13 ASP HB3 H 2.94 . 2 82 . 14 ASN H H 8.46 . 1 83 . 14 ASN HA H 4.72 . 1 84 . 14 ASN HB2 H 2.75 . 2 85 . 14 ASN HB3 H 2.84 . 2 86 . 14 ASN HD21 H 7.67 . 2 87 . 14 ASN HD22 H 7.96 . 2 88 . 15 GLY H H 8.24 . 1 89 . 15 GLY HA2 H 3.88 . 1 90 . 15 GLY HA3 H 3.88 . 1 stop_ save_