data_18409 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Chemical Shift Assignments for the second transmembrane domain from human copper transport 1 ; _BMRB_accession_number 18409 _BMRB_flat_file_name bmr18409.str _Entry_type original _Submission_date 2012-04-20 _Accession_date 2012-04-20 _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 Yang Lei . . 2 Huang Zhaowei . . 3 Li Fei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 172 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-11 update BMRB 'update entry citation' 2012-05-22 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18408 'first transmembrane domain from human copper transport 1' 18410 'third transmembrane domain from the human copper transport 1' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural insights into the transmembrane domains of human copper transporter 1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22615137 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Lei . . 2 Huang Zhaowei . . 3 Li Fei . . stop_ _Journal_abbreviation 'J. Pept. Sci.' _Journal_name_full 'Journal of peptide science : an official publication of the European Peptide Society' _Journal_volume 18 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 449 _Page_last 455 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'second transmembrane domain from human copper transport 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'second transmembrane domain from human copper transport 1' $hCtr1-TMD2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hCtr1-TMD2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 3540.426 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 29 _Mol_residue_sequence ; KHLLQTVLHIIQVVISYFLM LIFMTYNKK ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 HIS 3 LEU 4 LEU 5 GLN 6 THR 7 VAL 8 LEU 9 HIS 10 ILE 11 ILE 12 GLN 13 VAL 14 VAL 15 ILE 16 SER 17 TYR 18 PHE 19 LEU 20 MET 21 LEU 22 ILE 23 PHE 24 MET 25 THR 26 TYR 27 ASN 28 LYS 29 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 PDB 2LS3 "1h Chemical Shift Assignments For The Secondary Transmembrane Domain From Human Copper Transport 1" 100.00 29 100.00 100.00 1.99e-09 REF XP_012317279 "PREDICTED: LOW QUALITY PROTEIN: high affinity copper uptake protein 1 [Aotus nancymaae]" 89.66 489 100.00 100.00 7.70e-07 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hCtr1-TMD2 Human 9606 Eukaryota Metazoa Homo sapiens 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 $hCtr1-TMD2 'obtained from a vendor' . . . . . 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 $hCtr1-TMD2 2 mM 'natural abundance' '40% hexafluoroisopropanol (HFIP) aqueous solution' 40 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'second transmembrane domain from human copper transport 1' _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 1 LYS HA H 4.084 0.000 1 2 2 2 HIS H H 8.967 0.002 1 3 2 2 HIS HA H 5.073 0.001 1 4 2 2 HIS HB2 H 3.414 0.000 2 5 2 2 HIS HB3 H 3.316 0.001 2 6 2 2 HIS HD1 H 7.346 0.000 1 7 3 3 LEU H H 8.324 0.001 1 8 3 3 LEU HA H 4.348 0.000 1 9 3 3 LEU HB2 H 1.804 0.000 2 10 3 3 LEU HB3 H 1.804 0.000 2 11 3 3 LEU HG H 1.713 0.001 1 12 3 3 LEU HD1 H 1.008 0.001 2 13 3 3 LEU HD2 H 0.976 0.000 2 14 4 4 LEU H H 8.113 0.001 1 15 4 4 LEU HA H 4.178 0.001 1 16 4 4 LEU HB2 H 1.694 0.001 2 17 4 4 LEU HB3 H 1.694 0.001 2 18 4 4 LEU HD1 H 1.009 0.000 2 19 4 4 LEU HD2 H 0.966 0.000 2 20 5 5 GLN H H 8.413 0.001 1 21 5 5 GLN HA H 4.007 0.001 1 22 5 5 GLN HB2 H 2.188 0.001 2 23 5 5 GLN HB3 H 2.188 0.001 2 24 5 5 GLN HG2 H 2.636 0.001 2 25 5 5 GLN HG3 H 2.435 0.001 2 26 5 5 GLN HE21 H 6.985 0.001 2 27 5 5 GLN HE22 H 6.720 0.000 2 28 6 6 THR H H 7.843 0.001 1 29 6 6 THR HA H 4.087 0.001 1 30 6 6 THR HB H 4.555 0.001 1 31 6 6 THR HG2 H 1.371 0.001 1 32 7 7 VAL H H 8.073 0.001 1 33 7 7 VAL HA H 3.737 0.001 1 34 7 7 VAL HB H 2.297 0.002 1 35 7 7 VAL HG1 H 1.126 0.002 2 36 7 7 VAL HG2 H 1.045 0.001 2 37 8 8 LEU H H 8.398 0.001 1 38 8 8 LEU HA H 4.203 0.001 1 39 8 8 LEU HB2 H 1.904 0.000 2 40 8 8 LEU HB3 H 1.904 0.000 2 41 8 8 LEU HG H 1.502 0.001 1 42 8 8 LEU HD1 H 0.915 0.000 2 43 8 8 LEU HD2 H 0.915 0.000 2 44 9 9 HIS H H 7.857 0.001 1 45 9 9 HIS HA H 4.503 0.001 1 46 9 9 HIS HB2 H 3.558 0.001 2 47 9 9 HIS HB3 H 3.489 0.000 2 48 9 9 HIS HD1 H 7.258 0.001 1 49 10 10 ILE H H 8.114 0.001 1 50 10 10 ILE HA H 3.682 0.001 1 51 10 10 ILE HB H 2.184 0.001 1 52 10 10 ILE HG12 H 1.921 0.001 2 53 10 10 ILE HG13 H 1.194 0.001 2 54 11 11 ILE H H 8.451 0.001 1 55 11 11 ILE HA H 3.724 0.001 1 56 11 11 ILE HB H 2.012 0.001 1 57 11 11 ILE HG12 H 1.861 0.001 2 58 11 11 ILE HG13 H 1.230 0.001 2 59 11 11 ILE HG2 H 0.993 0.000 1 60 11 11 ILE HD1 H 0.908 0.000 1 61 12 12 GLN H H 7.794 0.001 1 62 12 12 GLN HA H 4.021 0.001 1 63 12 12 GLN HB2 H 2.360 0.001 2 64 12 12 GLN HB3 H 2.225 0.001 2 65 12 12 GLN HG2 H 2.745 0.001 2 66 12 12 GLN HG3 H 2.745 0.001 2 67 12 12 GLN HE21 H 6.718 0.001 2 68 12 12 GLN HE22 H 6.276 0.000 2 69 13 13 VAL H H 8.041 0.001 1 70 13 13 VAL HA H 3.625 0.001 1 71 13 13 VAL HB H 2.454 0.001 1 72 13 13 VAL HG1 H 0.975 0.000 2 73 13 13 VAL HG2 H 0.975 0.000 2 74 14 14 VAL H H 8.501 0.001 1 75 14 14 VAL HA H 3.679 0.001 1 76 14 14 VAL HB H 2.321 0.001 1 77 14 14 VAL HG1 H 1.115 0.002 2 78 14 14 VAL HG2 H 1.047 0.001 2 79 15 15 ILE H H 8.912 0.001 1 80 15 15 ILE HA H 3.963 0.001 1 81 15 15 ILE HB H 2.005 0.001 1 82 15 15 ILE HG12 H 1.893 0.001 2 83 15 15 ILE HG13 H 1.316 0.001 2 84 15 15 ILE HG2 H 1.048 0.001 1 85 15 15 ILE HD1 H 0.903 0.000 1 86 16 16 SER H H 8.045 0.001 1 87 16 16 SER HA H 4.217 0.001 1 88 16 16 SER HB2 H 4.066 0.001 2 89 16 16 SER HB3 H 4.066 0.001 2 90 17 17 TYR H H 8.272 0.001 1 91 17 17 TYR HA H 4.360 0.000 1 92 17 17 TYR HB2 H 3.319 0.001 2 93 17 17 TYR HB3 H 3.235 0.001 2 94 17 17 TYR HD1 H 6.993 0.001 3 95 18 18 PHE H H 8.411 0.001 1 96 18 18 PHE HA H 4.344 0.001 1 97 18 18 PHE HB2 H 3.331 0.001 2 98 18 18 PHE HB3 H 3.331 0.001 2 99 18 18 PHE HD2 H 7.258 0.001 3 100 19 19 LEU H H 8.868 0.001 1 101 19 19 LEU HA H 4.080 0.001 1 102 19 19 LEU HB2 H 1.466 0.001 2 103 19 19 LEU HB3 H 1.466 0.001 2 104 19 19 LEU HD1 H 0.916 0.000 2 105 19 19 LEU HD2 H 0.916 0.000 2 106 20 20 MET H H 7.910 0.001 1 107 20 20 MET HA H 4.305 0.001 1 108 20 20 MET HB2 H 2.328 0.001 2 109 20 20 MET HB3 H 2.328 0.001 2 110 20 20 MET HG2 H 2.743 0.001 2 111 20 20 MET HG3 H 2.637 0.001 2 112 21 21 LEU H H 8.081 0.001 1 113 21 21 LEU HA H 4.096 0.002 1 114 21 21 LEU HB2 H 1.896 0.001 2 115 21 21 LEU HB3 H 1.896 0.001 2 116 21 21 LEU HG H 1.674 0.001 1 117 21 21 LEU HD1 H 0.856 0.000 2 118 21 21 LEU HD2 H 0.856 0.000 2 119 22 22 ILE H H 8.503 0.001 1 120 22 22 ILE HA H 3.665 0.001 1 121 22 22 ILE HB H 2.058 0.001 1 122 22 22 ILE HG12 H 1.635 0.001 2 123 22 22 ILE HG13 H 1.063 0.002 2 124 22 22 ILE HG2 H 0.912 0.000 1 125 22 22 ILE HD1 H 0.779 0.000 1 126 23 23 PHE H H 8.695 0.001 1 127 23 23 PHE HA H 4.294 0.001 1 128 23 23 PHE HB2 H 3.378 0.001 2 129 23 23 PHE HB3 H 3.378 0.001 2 130 23 23 PHE HD1 H 7.254 0.001 3 131 24 24 MET H H 9.154 0.001 1 132 24 24 MET HA H 4.237 0.001 1 133 24 24 MET HB2 H 2.415 0.000 2 134 24 24 MET HB3 H 2.167 0.000 2 135 24 24 MET HG2 H 2.917 0.001 2 136 24 24 MET HG3 H 2.827 0.001 2 137 25 25 THR H H 8.255 0.001 1 138 25 25 THR HA H 4.030 0.002 1 139 25 25 THR HB H 4.389 0.001 1 140 25 25 THR HG2 H 1.215 0.000 1 141 26 26 TYR H H 8.672 0.001 1 142 26 26 TYR HA H 4.280 0.001 1 143 26 26 TYR HB2 H 3.174 0.000 2 144 26 26 TYR HB3 H 3.083 0.000 2 145 26 26 TYR HD1 H 7.135 0.001 3 146 26 26 TYR HE1 H 6.841 0.001 3 147 27 27 ASN H H 7.822 0.001 1 148 27 27 ASN HA H 4.543 0.001 1 149 27 27 ASN HB2 H 2.682 0.000 2 150 27 27 ASN HB3 H 2.603 0.001 2 151 27 27 ASN HD21 H 6.894 0.001 2 152 27 27 ASN HD22 H 5.888 0.001 2 153 28 28 LYS H H 7.928 0.001 1 154 28 28 LYS HA H 4.409 0.000 1 155 28 28 LYS HB2 H 1.989 0.001 2 156 28 28 LYS HB3 H 1.898 0.001 2 157 28 28 LYS HG2 H 1.498 0.001 2 158 28 28 LYS HG3 H 1.498 0.001 2 159 28 28 LYS HD2 H 1.718 0.001 2 160 28 28 LYS HD3 H 1.718 0.001 2 161 28 28 LYS HE2 H 3.024 0.000 2 162 28 28 LYS HE3 H 3.024 0.000 2 163 29 29 LYS H H 7.837 0.001 1 164 29 29 LYS HA H 4.304 0.000 1 165 29 29 LYS HB2 H 1.989 0.001 2 166 29 29 LYS HB3 H 1.989 0.001 2 167 29 29 LYS HG2 H 1.550 0.001 2 168 29 29 LYS HG3 H 1.550 0.001 2 169 29 29 LYS HD2 H 1.765 0.000 2 170 29 29 LYS HD3 H 1.765 0.000 2 171 29 29 LYS HE2 H 3.083 0.000 2 172 29 29 LYS HE3 H 3.083 0.000 2 stop_ save_