data_18410 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Chemical Shift Assignments for the third transmembrane domain from the human copper transport 1 ; _BMRB_accession_number 18410 _BMRB_flat_file_name bmr18410.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" 121 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 18409 'second transmembrane domain from human copper transport 1' 18408 'first transmembrane domain from 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 'third transmembrane domain from the human copper transport 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'third transmembrane domain from the human copper transport 1' $hCtr1-TMD3 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-TMD3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 2603.026 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 24 _Mol_residue_sequence ; YNGYLCIAVAAGAGTGYFLF SWKK ; loop_ _Residue_seq_code _Residue_label 1 TYR 2 ASN 3 GLY 4 TYR 5 LEU 6 CYS 7 ILE 8 ALA 9 VAL 10 ALA 11 ALA 12 GLY 13 ALA 14 GLY 15 THR 16 GLY 17 TYR 18 PHE 19 LEU 20 PHE 21 SER 22 TRP 23 LYS 24 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2LS4 "1h Chemical Shift Assignments For The Third Transmembrane Domain From The Human Copper Transport 1" 100.00 24 100.00 100.00 5.26e-07 DBJ BAC32891 "unnamed protein product [Mus musculus]" 100.00 196 100.00 100.00 8.70e-09 DBJ BAE30315 "unnamed protein product [Mus musculus]" 100.00 196 100.00 100.00 5.32e-09 DBJ BAE41687 "unnamed protein product [Mus musculus]" 100.00 196 100.00 100.00 5.60e-09 DBJ BAF85200 "unnamed protein product [Homo sapiens]" 100.00 190 100.00 100.00 3.02e-08 EMBL CAD13301 "high affinity copper transporter [Podarcis siculus]" 100.00 191 100.00 100.00 1.88e-08 EMBL CAD38549 "hypothetical protein [Homo sapiens]" 100.00 190 100.00 100.00 3.02e-08 EMBL CAH91134 "hypothetical protein [Pongo abelii]" 100.00 190 100.00 100.00 2.90e-08 GB AAB66306 "high-affinity copper uptake protein [Homo sapiens]" 100.00 190 100.00 100.00 3.02e-08 GB AAF72546 "copper transporter 1 [Rattus norvegicus]" 100.00 187 100.00 100.00 3.52e-09 GB AAH04315 "Unknown (protein for IMAGE:3628031), partial [Homo sapiens]" 100.00 81 100.00 100.00 8.41e-08 GB AAH13611 "Solute carrier family 31 (copper transporters), member 1 [Homo sapiens]" 100.00 190 100.00 100.00 3.02e-08 GB AAH34674 "Solute carrier family 31, member 1 [Mus musculus]" 100.00 196 100.00 100.00 5.32e-09 REF NP_001093851 "high affinity copper uptake protein 1 [Bos taurus]" 100.00 189 100.00 100.00 1.32e-08 REF NP_001125663 "high affinity copper uptake protein 1 [Pongo abelii]" 100.00 190 100.00 100.00 2.90e-08 REF NP_001231046 "high affinity copper uptake protein 1 [Cricetulus griseus]" 100.00 196 100.00 100.00 1.14e-08 REF NP_001244435 "high affinity copper uptake protein 1 [Macaca mulatta]" 100.00 190 100.00 100.00 3.11e-08 REF NP_001850 "high affinity copper uptake protein 1 [Homo sapiens]" 100.00 190 100.00 100.00 3.02e-08 SP O15431 "RecName: Full=High affinity copper uptake protein 1; AltName: Full=Copper transporter 1; Short=hCTR1; AltName: Full=Solute carr" 100.00 190 100.00 100.00 3.02e-08 SP Q5RAS6 "RecName: Full=High affinity copper uptake protein 1; AltName: Full=Copper transporter 1; AltName: Full=Solute carrier family 31" 100.00 190 100.00 100.00 2.90e-08 SP Q8K211 "RecName: Full=High affinity copper uptake protein 1; AltName: Full=Copper transporter 1; Short=CTR1; AltName: Full=Solute carri" 100.00 196 100.00 100.00 5.32e-09 SP Q8WNR0 "RecName: Full=High affinity copper uptake protein 1; AltName: Full=Copper transporter 1; Short=CTR1; AltName: Full=Solute carri" 100.00 189 100.00 100.00 1.97e-08 SP Q9JK41 "RecName: Full=High affinity copper uptake protein 1; AltName: Full=Copper transporter 1; Short=rCTR1; AltName: Full=Liver regen" 100.00 187 100.00 100.00 3.52e-09 TPG DAA26466 "TPA: solute carrier family 31 (copper transporters), member 1 [Bos taurus]" 100.00 189 100.00 100.00 1.32e-08 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-TMD3 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-TMD3 '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-TMD3 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 'third transmembrane domain from the 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 TYR HA H 4.247 0.001 1 2 1 1 TYR HB2 H 3.170 0.001 2 3 1 1 TYR HB3 H 3.170 0.001 2 4 1 1 TYR HD1 H 7.166 0.000 3 5 1 1 TYR HE1 H 6.902 0.000 3 6 2 2 ASN H H 8.312 0.001 1 7 2 2 ASN HA H 4.803 0.000 1 8 2 2 ASN HB2 H 2.856 0.000 2 9 2 2 ASN HB3 H 2.766 0.000 2 10 2 2 ASN HD21 H 7.334 0.001 2 11 2 2 ASN HD22 H 6.582 0.000 2 12 3 3 GLY H H 7.727 0.000 1 13 3 3 GLY HA2 H 3.926 0.001 2 14 3 3 GLY HA3 H 3.857 0.000 2 15 4 4 TYR H H 7.625 0.001 1 16 4 4 TYR HA H 4.534 0.001 1 17 4 4 TYR HB2 H 3.174 0.001 2 18 4 4 TYR HB3 H 3.081 0.000 2 19 4 4 TYR HD1 H 7.158 0.000 3 20 5 5 LEU H H 7.625 0.002 1 21 5 5 LEU HA H 4.222 0.002 1 22 5 5 LEU HB2 H 1.703 0.000 2 23 5 5 LEU HB3 H 1.703 0.000 2 24 5 5 LEU HG H 1.660 0.001 1 25 5 5 LEU HD1 H 0.975 0.000 2 26 5 5 LEU HD2 H 0.925 0.000 2 27 6 6 CYS H H 7.651 0.001 1 28 6 6 CYS HA H 4.211 0.001 1 29 6 6 CYS HB2 H 3.057 0.000 2 30 6 6 CYS HB3 H 3.057 0.000 2 31 7 7 ILE H H 7.552 0.001 1 32 7 7 ILE HA H 3.890 0.000 1 33 7 7 ILE HB H 2.022 0.001 1 34 7 7 ILE HG12 H 1.697 0.001 2 35 7 7 ILE HG13 H 1.289 0.001 2 36 7 7 ILE HG2 H 0.989 0.000 1 37 7 7 ILE HD1 H 0.942 0.000 1 38 8 8 ALA H H 7.621 0.001 1 39 8 8 ALA HA H 4.105 0.000 1 40 8 8 ALA HB H 1.535 0.000 1 41 9 9 VAL H H 8.055 0.001 1 42 9 9 VAL HA H 3.777 0.001 1 43 9 9 VAL HB H 2.157 0.001 1 44 9 9 VAL HG1 H 1.087 0.001 2 45 9 9 VAL HG2 H 0.986 0.000 2 46 10 10 ALA H H 7.925 0.001 1 47 10 10 ALA HA H 4.132 0.000 1 48 10 10 ALA HB H 1.555 0.000 1 49 11 11 ALA H H 8.722 0.001 1 50 11 11 ALA HA H 4.241 0.000 1 51 11 11 ALA HB H 1.531 0.001 1 52 12 12 GLY H H 8.164 0.002 1 53 12 12 GLY HA2 H 3.976 0.000 2 54 12 12 GLY HA3 H 3.976 0.000 2 55 13 13 ALA H H 8.454 0.001 1 56 13 13 ALA HA H 4.273 0.000 1 57 13 13 ALA HB H 1.542 0.000 1 58 14 14 GLY H H 8.454 0.001 1 59 14 14 GLY HA2 H 4.021 0.000 2 60 14 14 GLY HA3 H 4.021 0.000 2 61 15 15 THR H H 7.994 0.001 1 62 15 15 THR HA H 4.210 0.001 1 63 15 15 THR HB H 4.357 0.001 1 64 15 15 THR HG2 H 1.371 0.001 1 65 16 16 GLY H H 8.132 0.001 1 66 16 16 GLY HA2 H 3.949 0.000 2 67 16 16 GLY HA3 H 3.866 0.001 2 68 17 17 TYR H H 7.967 0.001 1 69 17 17 TYR HA H 4.283 0.001 1 70 17 17 TYR HB2 H 3.166 0.000 2 71 17 17 TYR HB3 H 3.091 0.001 2 72 17 17 TYR HD1 H 7.002 0.001 3 73 17 17 TYR HE1 H 6.822 0.001 3 74 18 18 PHE H H 8.082 0.001 1 75 18 18 PHE HA H 4.256 0.001 1 76 18 18 PHE HB2 H 3.265 0.000 2 77 18 18 PHE HB3 H 3.265 0.000 2 78 18 18 PHE HD2 H 7.273 0.001 3 79 19 19 LEU H H 8.176 0.001 1 80 19 19 LEU HA H 4.050 0.001 1 81 19 19 LEU HB2 H 1.739 0.000 2 82 19 19 LEU HB3 H 1.739 0.000 2 83 19 19 LEU HG H 1.365 0.001 1 84 19 19 LEU HD1 H 0.908 0.000 2 85 19 19 LEU HD2 H 0.879 0.000 2 86 20 20 PHE H H 8.178 0.001 1 87 20 20 PHE HA H 4.422 0.001 1 88 20 20 PHE HB2 H 3.172 0.000 2 89 20 20 PHE HB3 H 3.132 0.000 2 90 20 20 PHE HD2 H 7.220 0.001 3 91 20 20 PHE HE2 H 7.327 0.001 3 92 21 21 SER H H 7.941 0.001 1 93 21 21 SER HA H 4.154 0.000 1 94 21 21 SER HB2 H 3.854 0.001 2 95 21 21 SER HB3 H 3.717 0.000 2 96 22 22 TRP H H 7.698 0.002 1 97 22 22 TRP HA H 4.574 0.001 1 98 22 22 TRP HB2 H 3.276 0.001 2 99 22 22 TRP HB3 H 3.239 0.000 2 100 22 22 TRP HD1 H 7.137 0.000 1 101 22 22 TRP HE1 H 9.168 0.001 1 102 22 22 TRP HE3 H 7.608 0.001 1 103 22 22 TRP HZ2 H 7.464 0.000 1 104 22 22 TRP HZ3 H 7.171 0.000 1 105 22 22 TRP HH2 H 7.256 0.000 1 106 23 23 LYS H H 7.793 0.001 1 107 23 23 LYS HA H 4.163 0.000 1 108 23 23 LYS HB2 H 1.805 0.001 2 109 23 23 LYS HB3 H 1.805 0.001 2 110 23 23 LYS HG2 H 1.296 0.001 2 111 23 23 LYS HG3 H 1.296 0.001 2 112 23 23 LYS HD2 H 1.628 0.000 2 113 23 23 LYS HD3 H 1.628 0.000 2 114 24 24 LYS H H 7.782 0.001 1 115 24 24 LYS HA H 4.236 0.001 1 116 24 24 LYS HB2 H 1.891 0.001 2 117 24 24 LYS HB3 H 1.891 0.001 2 118 24 24 LYS HG2 H 1.405 0.001 2 119 24 24 LYS HG3 H 1.405 0.001 2 120 24 24 LYS HD2 H 1.784 0.001 2 121 24 24 LYS HD3 H 1.784 0.001 2 stop_ save_