data_2328 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural determinants of Cys2His2 zinc fingers ; _BMRB_accession_number 2328 _BMRB_flat_file_name bmr2328.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-12 _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 Mortishire-Smith Russell J. . 2 Lee Min S. . 3 Bolinger Lizann . . 4 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-10-01 revision BMRB 'Updating non-standard residue' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-12 revision BMRB 'Error corrected in abrreviations given to non-polymers' 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 ; Mortishire-Smith, Russell J., Lee, Min S., Bolinger, Lizann, Wright, Peter E., "Structural determinants of Cys2His2 zinc fingers," FEBS Lett. 296 (1), 11-15 (1992). ; _Citation_title 'Structural determinants of Cys2His2 zinc fingers' _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 Mortishire-Smith Russell J. . 2 Lee Min S. . 3 Bolinger Lizann . . 4 Wright Peter E. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 296 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11 _Page_last 15 _Year 1992 _Details . save_ ################################## # Molecular system description # ################################## save_system_Xfin-31B _Saveframe_category molecular_system _Mol_system_name Xfin-31B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Xfin-31B $Xfin-31B stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Xfin-31B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Xfin-31B _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 27 _Mol_residue_sequence ; XYKCGLCEFSGVEKSALSRH QRVHKNX ; loop_ _Residue_seq_code _Residue_label 1 ACE 2 TYR 3 LYS 4 CYS 5 GLY 6 LEU 7 CYS 8 GLU 9 PHE 10 SER 11 GLY 12 VAL 13 GLU 14 LYS 15 SER 16 ALA 17 LEU 18 SER 19 ARG 20 HIS 21 GLN 22 ARG 23 VAL 24 HIS 25 LYS 26 ASN 27 NH2 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 1999-12-06 save_ ###################### # Polymer residues # ###################### save_chem_comp_ACE _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'ACETYL GROUP' _BMRB_code ACE _PDB_code ACE _Standard_residue_derivative . _Molecular_mass 44.053 _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 . ? O O O . 0 . ? CH3 CH3 C . 0 . ? H H H . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 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 DOUB C O ? ? SING C CH3 ? ? SING C H ? ? SING CH3 H1 ? ? SING CH3 H2 ? ? SING CH3 H3 ? ? 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 $Xfin-31B . . . . . . 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 $Xfin-31B '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 5.5 . n/a 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 H2O/HDO H . . ppm 4.96 . . . . . $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 Xfin-31B _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 . 3 LYS H H 8.36 0.01 1 2 . 3 LYS HA H 4.64 0.01 1 3 . 3 LYS HB2 H 1.811 0.01 2 4 . 3 LYS HB3 H 1.611 0.01 2 5 . 3 LYS HG2 H 1.43 0.01 2 6 . 3 LYS HG3 H 1.34 0.01 2 7 . 3 LYS HD2 H 1.71 0.01 2 8 . 3 LYS HD3 H 1.48 0.01 2 9 . 3 LYS HE2 H 2.9 0.01 1 10 . 3 LYS HE3 H 2.9 0.01 1 11 . 3 LYS HZ H 7.45 0.01 1 12 . 4 CYS H H 8.81 0.01 1 13 . 4 CYS HA H 4.22 0.01 1 14 . 4 CYS HB2 H 3.38 0.01 2 15 . 4 CYS HB3 H 2.77 0.01 2 16 . 5 GLY H H 8.82 0.01 1 17 . 5 GLY HA2 H 3.81 0.01 2 18 . 5 GLY HA3 H 4.23 0.01 2 19 . 6 LEU H H 9.44 0.01 1 20 . 6 LEU HA H 4.41 0.01 1 21 . 6 LEU HB2 H .89 0.01 2 22 . 6 LEU HB3 H .65 0.01 2 23 . 6 LEU HG H 1.333 0.01 1 24 . 6 LEU HD1 H .66 0.01 2 25 . 6 LEU HD2 H .54 0.01 2 26 . 7 CYS H H 7.74 0.01 1 27 . 7 CYS HA H 4.86 0.01 1 28 . 7 CYS HB2 H 3.29 0.01 2 29 . 7 CYS HB3 H 3.23 0.01 2 30 . 8 GLU H H 8.5 0.01 1 31 . 8 GLU HA H 4.3 0.01 1 32 . 8 GLU HB2 H 2.17 0.01 2 33 . 8 GLU HB3 H 1.96 0.01 2 34 . 8 GLU HG2 H 2.31 0.01 2 35 . 8 GLU HG3 H 2.21 0.01 2 36 . 9 PHE H H 9.02 0.01 1 37 . 9 PHE HA H 3.95 0.01 1 38 . 9 PHE HB2 H 2.62 0.01 2 39 . 9 PHE HB3 H 2.05 0.01 2 40 . 9 PHE HD1 H 6.7 0.01 1 41 . 9 PHE HD2 H 6.7 0.01 1 42 . 9 PHE HE1 H 6.93 0.01 1 43 . 9 PHE HE2 H 6.93 0.01 1 44 . 9 PHE HZ H 7.02 0.01 1 45 . 10 SER H H 7.19 0.01 1 46 . 10 SER HA H 4.68 0.01 1 47 . 10 SER HB2 H 3.37 0.01 2 48 . 10 SER HB3 H 3.29 0.01 2 49 . 11 GLY H H 8.62 0.01 1 50 . 11 GLY HA2 H 3.3 0.01 2 51 . 11 GLY HA3 H 4.37 0.01 2 52 . 12 VAL H H 8.86 0.01 1 53 . 12 VAL HA H 4.09 0.01 1 54 . 12 VAL HB H 2.16 0.01 1 55 . 12 VAL HG1 H .95 0.01 2 56 . 12 VAL HG2 H .94 0.01 2 57 . 13 GLU H H 7.39 0.01 1 58 . 13 GLU HA H 4.6 0.01 1 59 . 13 GLU HB2 H 2.16 0.01 2 60 . 13 GLU HB3 H 1.95 0.01 2 61 . 13 GLU HG2 H 2.23 0.01 1 62 . 13 GLU HG3 H 2.23 0.01 1 63 . 14 LYS H H 8.65 0.01 1 64 . 14 LYS HA H 3.09 0.01 1 65 . 14 LYS HB2 H 1.5 0.01 2 66 . 14 LYS HB3 H 1.28 0.01 2 67 . 14 LYS HG2 H 1.04 0.01 1 68 . 14 LYS HG3 H 1.04 0.01 1 69 . 14 LYS HD2 H 1.49 0.01 1 70 . 14 LYS HD3 H 1.49 0.01 1 71 . 14 LYS HE2 H 2.85 0.01 1 72 . 14 LYS HE3 H 2.85 0.01 1 73 . 14 LYS HZ H 7.58 0.01 1 74 . 15 SER H H 8.84 0.01 1 75 . 15 SER HA H 4.13 0.01 1 76 . 15 SER HB2 H 3.87 0.01 1 77 . 15 SER HB3 H 3.87 0.01 1 78 . 16 ALA H H 7.31 0.01 1 79 . 16 ALA HA H 4.24 0.01 1 80 . 16 ALA HB H 1.76 0.01 1 81 . 17 LEU H H 7.42 0.01 1 82 . 17 LEU HA H 4.39 0.01 1 83 . 17 LEU HB2 H 2.14 0.01 2 84 . 17 LEU HB3 H 1.53 0.01 2 85 . 17 LEU HG H 1.62 0.01 1 86 . 17 LEU HD1 H 1.06 0.01 2 87 . 17 LEU HD2 H .93 0.01 2 88 . 18 SER H H 8.37 0.01 1 89 . 18 SER HA H 4.26 0.01 1 90 . 18 SER HB2 H 3.87 0.01 1 91 . 18 SER HB3 H 3.87 0.01 1 92 . 19 ARG H H 7.9 0.01 1 93 . 19 ARG HA H 3.97 0.01 1 94 . 19 ARG HB2 H 1.86 0.01 2 95 . 19 ARG HB3 H 1.78 0.01 2 96 . 19 ARG HG2 H 1.47 0.01 1 97 . 19 ARG HG3 H 1.47 0.01 1 98 . 19 ARG HD2 H 3.22 0.01 2 99 . 19 ARG HD3 H 3.12 0.01 2 100 . 19 ARG HE H 7.28 0.01 1 101 . 20 HIS H H 7.64 0.01 1 102 . 20 HIS HA H 3.9 0.01 1 103 . 20 HIS HB2 H 2.99 0.01 2 104 . 20 HIS HB3 H 2.23 0.01 2 105 . 20 HIS HD2 H 6.64 0.01 1 106 . 20 HIS HE1 H 7.53 0.01 1 107 . 21 GLN H H 8.03 0.01 1 108 . 21 GLN HA H 3.55 0.01 1 109 . 21 GLN HB2 H 2.22 0.01 2 110 . 21 GLN HB3 H 2.16 0.01 2 111 . 21 GLN HG2 H 2.72 0.01 1 112 . 21 GLN HG3 H 2.72 0.01 1 113 . 21 GLN HE21 H 7.52 0.01 2 114 . 21 GLN HE22 H 7.27 0.01 2 115 . 22 ARG H H 7.08 0.01 1 116 . 22 ARG HA H 3.95 0.01 1 117 . 22 ARG HB2 H 1.79 0.01 1 118 . 22 ARG HB3 H 1.79 0.01 1 119 . 22 ARG HG2 H 1.71 0.01 1 120 . 22 ARG HG3 H 1.71 0.01 1 121 . 22 ARG HD2 H 3.13 0.01 1 122 . 22 ARG HD3 H 3.13 0.01 1 123 . 22 ARG HE H 7.22 0.01 1 124 . 23 VAL H H 7.74 0.01 1 125 . 23 VAL HA H 3.78 0.01 1 126 . 23 VAL HB H 1.75 0.01 1 127 . 23 VAL HG1 H .48 0.01 2 128 . 23 VAL HG2 H .23 0.01 2 129 . 24 HIS H H 7.1 0.01 1 130 . 24 HIS HA H 4.68 0.01 1 131 . 24 HIS HB2 H 3.16 0.01 2 132 . 24 HIS HB3 H 3 0.01 2 133 . 24 HIS HD2 H 6.46 0.01 1 134 . 24 HIS HE1 H 7.85 0.01 1 135 . 25 LYS H H 7.76 0.01 1 136 . 25 LYS HA H 4.2 0.01 1 137 . 25 LYS HB2 H 1.78 0.01 2 138 . 25 LYS HB3 H 1.72 0.01 2 139 . 25 LYS HG2 H 1.36 0.01 1 140 . 25 LYS HG3 H 1.36 0.01 1 141 . 25 LYS HD2 H 1.59 0.01 1 142 . 25 LYS HD3 H 1.59 0.01 1 143 . 25 LYS HE2 H 2.88 0.01 1 144 . 25 LYS HE3 H 2.88 0.01 1 145 . 25 LYS HZ H 7.55 0.01 1 stop_ save_