data_18022 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the Cx43 C-terminal domain bound to tubulin ; _BMRB_accession_number 18022 _BMRB_flat_file_name bmr18022.str _Entry_type original _Submission_date 2011-10-26 _Accession_date 2011-10-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Structure of the 234-259 of Cx43 bound to tubulin' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Saidi Brikci-Nigassa' Amal . . 2 Clement Marie-Jeanne . . 3 Ha-Duong Tap . . 4 Benmansour Kamal . . 5 Adjadj Elisabeth . . 6 Ziani Latifa . . 7 Pastre David . . 8 Curmi Patrick A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-06 update BMRB 'update entry citation' 2012-05-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Phosphorylation controls the interaction of the connexin43 C-terminal domain with tubulin and microtubules.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22558917 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Saidi Brikci-Nigassa' Amal . . 2 Clement Marie-Jeanne . . 3 Ha-Duong Tap . . 4 Adjadj Elisabeth . . 5 Ziani Latifa . . 6 Pastre David . . 7 Curmi Patrick A. . 8 Savarin Philippe . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 51 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4331 _Page_last 4342 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cx43 C-terminal domain bound to tubulin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Cx43 $Cx43 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_Cx43 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 2720.094 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 26 _Mol_residue_sequence ; KGVKDRVKGKSDPYHATSGA LSPAKD ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 GLY 3 VAL 4 LYS 5 ASP 6 ARG 7 VAL 8 LYS 9 GLY 10 LYS 11 SER 12 ASP 13 PRO 14 TYR 15 HIS 16 ALA 17 THR 18 SER 19 GLY 20 ALA 21 LEU 22 SER 23 PRO 24 ALA 25 LYS 26 ASP 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 2LL2 "Structure Of The Cx43 C-Terminal Domain Bound To Tubulin" 100.00 26 100.00 100.00 4.91e-08 DBJ BAD97009 "connexin 43 variant [Homo sapiens]" 100.00 382 100.00 100.00 5.30e-08 DBJ BAG35246 "unnamed protein product [Homo sapiens]" 100.00 382 100.00 100.00 4.71e-08 DBJ BAG57837 "unnamed protein product [Homo sapiens]" 100.00 305 100.00 100.00 4.40e-08 DBJ BAG58393 "unnamed protein product [Homo sapiens]" 100.00 361 100.00 100.00 1.22e-07 DBJ BAG59841 "unnamed protein product [Homo sapiens]" 100.00 283 100.00 100.00 2.82e-07 EMBL CAA37122 "unnamed protein product [Homo sapiens]" 100.00 382 100.00 100.00 4.71e-08 EMBL CAG46461 "GJA1 [Homo sapiens]" 100.00 382 100.00 100.00 4.71e-08 GB AAA52131 "connexin 43 [Homo sapiens]" 100.00 382 100.00 100.00 4.71e-08 GB AAD37802 "connexin 43 [Homo sapiens]" 100.00 382 100.00 100.00 4.71e-08 GB AAH26329 "Gap junction protein, alpha 1, 43kDa [Homo sapiens]" 100.00 382 100.00 100.00 4.71e-08 GB AAX29876 "gap junction protein alpha 1 [synthetic construct]" 100.00 383 100.00 100.00 4.28e-08 GB AAX36796 "gap junction protein alpha 1 [synthetic construct]" 100.00 383 100.00 100.00 5.06e-08 REF NP_000156 "gap junction alpha-1 protein [Homo sapiens]" 100.00 382 100.00 100.00 4.71e-08 REF XP_002817351 "PREDICTED: LOW QUALITY PROTEIN: gap junction alpha-1 protein [Pongo abelii]" 100.00 402 100.00 100.00 6.55e-08 SP P17302 "RecName: Full=Gap junction alpha-1 protein; AltName: Full=Connexin-43; Short=Cx43; AltName: Full=Gap junction 43 kDa heart prot" 100.00 382 100.00 100.00 4.71e-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 $Cx43 Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $Cx43 'chemical synthesis' . . . . . 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 $Cx43 0.8 mM 'natural abundance' D2O 0.04 mM '[U-100% 15N]' PIPES 50 mM '[U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Cx43 0.8 mM 'natural abundance' D2O 0.04 mM '[U-100% 15N]' PIPES 50 mM '[U-100% 15N]' tubulin 0.04 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details Cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_1D_STD_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1D STD' _Sample_label $sample_2 save_ save_1D_STD_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1D STD' _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 282 . K pH 6.9 . pH pressure 1 . atm 'ionic strength' 0 . M 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 DSS H 1 'methyl protons' ppm 0 external direct cylindrical 'insert at outer edge of experimental sample tube' . 1.0 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 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 Cx43 _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 4.055 0.005 1 2 1 1 LYS HB2 H 1.906 0.005 2 3 1 1 LYS HB3 H 1.906 0.005 2 4 1 1 LYS HG2 H 1.045 0.005 2 5 1 1 LYS HG3 H 1.448 0.005 2 6 1 1 LYS HD2 H 1.690 0.005 2 7 1 1 LYS HD3 H 1.690 0.005 2 8 1 1 LYS HE2 H 2.990 0.005 2 9 1 1 LYS HE3 H 2.990 0.005 2 10 3 3 VAL H H 8.368 0.005 1 11 3 3 VAL HA H 4.067 0.005 1 12 3 3 VAL HB H 2.070 0.005 1 13 3 3 VAL HG1 H 0.927 0.005 2 14 3 3 VAL HG2 H 0.927 0.005 2 15 4 4 LYS H H 8.540 0.005 1 16 4 4 LYS HA H 4.277 0.005 1 17 4 4 LYS HB2 H 1.809 0.005 2 18 4 4 LYS HB3 H 1.748 0.005 2 19 4 4 LYS HG2 H 1.430 0.005 2 20 4 4 LYS HG3 H 1.395 0.005 2 21 4 4 LYS HD2 H 1.660 0.005 2 22 4 4 LYS HD3 H 1.660 0.005 2 23 4 4 LYS HE2 H 2.972 0.005 2 24 4 4 LYS HE3 H 2.972 0.005 2 25 5 5 ASP H H 8.242 0.005 1 26 5 5 ASP HA H 4.535 0.005 1 27 5 5 ASP HB2 H 2.666 0.005 2 28 5 5 ASP HB3 H 2.580 0.005 2 29 6 6 ARG H H 8.317 0.005 1 30 6 6 ARG HA H 4.289 0.005 1 31 6 6 ARG HB2 H 1.817 0.005 2 32 6 6 ARG HB3 H 1.740 0.005 2 33 6 6 ARG HG2 H 1.590 0.005 2 34 6 6 ARG HG3 H 1.627 0.005 2 35 6 6 ARG HD2 H 3.166 0.005 2 36 6 6 ARG HD3 H 3.166 0.005 2 37 6 6 ARG HE H 7.256 0.005 1 38 7 7 VAL H H 8.297 0.005 1 39 7 7 VAL HA H 4.033 0.005 1 40 7 7 VAL HB H 2.033 0.005 1 41 7 7 VAL HG1 H 0.919 0.005 2 42 7 7 VAL HG2 H 0.919 0.005 2 43 8 8 LYS H H 8.553 0.005 1 44 8 8 LYS HA H 4.267 0.005 1 45 8 8 LYS HB2 H 1.810 0.005 2 46 8 8 LYS HB3 H 1.750 0.005 2 47 8 8 LYS HG2 H 1.430 0.005 2 48 8 8 LYS HG3 H 1.407 0.005 2 49 8 8 LYS HD2 H 1.666 0.005 2 50 8 8 LYS HD3 H 1.666 0.005 2 51 8 8 LYS HE2 H 2.970 0.005 2 52 8 8 LYS HE3 H 2.970 0.005 2 53 9 9 GLY H H 8.543 0.005 1 54 9 9 GLY HA2 H 3.922 0.005 2 55 9 9 GLY HA3 H 3.973 0.005 2 56 10 10 LYS H H 8.306 0.005 1 57 10 10 LYS HA H 4.334 0.005 1 58 10 10 LYS HB2 H 1.730 0.005 2 59 10 10 LYS HB3 H 1.822 0.005 2 60 10 10 LYS HG2 H 1.433 0.005 2 61 10 10 LYS HG3 H 1.433 0.005 2 62 10 10 LYS HD2 H 1.656 0.005 2 63 10 10 LYS HD3 H 1.656 0.005 2 64 10 10 LYS HE2 H 2.970 0.005 2 65 10 10 LYS HE3 H 2.970 0.005 2 66 11 11 SER H H 8.486 0.005 1 67 11 11 SER HA H 4.430 0.005 1 68 11 11 SER HB2 H 3.810 0.005 2 69 11 11 SER HB3 H 3.810 0.005 2 70 12 12 ASP H H 8.486 0.005 1 71 12 12 ASP HA H 4.430 0.005 1 72 12 12 ASP HB2 H 2.566 0.005 2 73 12 12 ASP HB3 H 2.765 0.005 2 74 13 13 PRO HA H 4.327 0.005 1 75 13 13 PRO HB2 H 2.160 0.005 2 76 13 13 PRO HB3 H 1.918 0.005 2 77 13 13 PRO HG2 H 1.618 0.005 2 78 13 13 PRO HG3 H 1.728 0.005 2 79 13 13 PRO HD2 H 3.811 0.005 2 80 13 13 PRO HD3 H 3.711 0.005 2 81 14 14 TYR H H 8.306 0.005 1 82 14 14 TYR HA H 4.430 0.005 1 83 14 14 TYR HB2 H 2.934 0.005 2 84 14 14 TYR HB3 H 2.934 0.005 2 85 14 14 TYR HD1 H 7.074 0.005 3 86 14 14 TYR HD2 H 7.074 0.005 3 87 14 14 TYR HE1 H 6.784 0.005 3 88 14 14 TYR HE2 H 6.784 0.005 3 89 15 15 HIS H H 7.966 0.005 1 90 15 15 HIS HA H 4.550 0.005 1 91 15 15 HIS HB2 H 3.177 0.005 2 92 15 15 HIS HB3 H 3.034 0.005 2 93 15 15 HIS HD2 H 7.219 0.005 1 94 15 15 HIS HE1 H 8.455 0.005 1 95 16 16 ALA H H 8.401 0.005 1 96 16 16 ALA HA H 4.297 0.005 1 97 16 16 ALA HB H 1.385 0.005 1 98 17 17 THR H H 8.327 0.005 1 99 17 17 THR HA H 4.364 0.005 1 100 17 17 THR HB H 4.268 0.005 1 101 17 17 THR HG2 H 1.200 0.005 1 102 18 18 SER H H 8.410 0.005 1 103 18 18 SER HA H 4.450 0.005 1 104 18 18 SER HB2 H 3.890 0.005 2 105 18 18 SER HB3 H 3.860 0.005 2 106 19 19 GLY H H 8.524 0.005 1 107 19 19 GLY HA2 H 3.945 0.005 2 108 19 19 GLY HA3 H 3.945 0.005 2 109 20 20 ALA H H 8.190 0.005 1 110 20 20 ALA HA H 4.279 0.005 1 111 20 20 ALA HB H 1.356 0.005 1 112 21 21 LEU H H 8.358 0.005 1 113 21 21 LEU HA H 4.357 0.005 1 114 21 21 LEU HB2 H 1.626 0.005 2 115 21 21 LEU HB3 H 1.626 0.005 2 116 21 21 LEU HG H 1.556 0.005 1 117 21 21 LEU HD1 H 0.901 0.005 2 118 21 21 LEU HD2 H 0.844 0.005 2 119 22 22 SER H H 8.360 0.005 1 120 22 22 SER HA H 4.720 0.005 1 121 22 22 SER HB2 H 3.780 0.005 2 122 22 22 SER HB3 H 3.840 0.005 2 123 23 23 PRO HA H 4.399 0.005 1 124 23 23 PRO HB2 H 2.270 0.005 2 125 23 23 PRO HB3 H 2.270 0.005 2 126 23 23 PRO HG2 H 1.903 0.005 2 127 23 23 PRO HG3 H 1.985 0.005 2 128 23 23 PRO HD2 H 3.687 0.005 2 129 23 23 PRO HD3 H 3.781 0.005 2 130 24 24 ALA H H 8.455 0.005 1 131 24 24 ALA HA H 4.265 0.005 1 132 24 24 ALA HB H 1.375 0.005 1 133 25 25 LYS H H 8.426 0.005 1 134 25 25 LYS HA H 4.317 0.005 1 135 25 25 LYS HB2 H 1.723 0.005 2 136 25 25 LYS HB3 H 1.840 0.005 2 137 25 25 LYS HG2 H 1.427 0.005 2 138 25 25 LYS HG3 H 1.427 0.005 2 139 25 25 LYS HD2 H 1.656 0.005 2 140 25 25 LYS HD3 H 1.656 0.005 2 141 26 26 ASP H H 8.029 0.005 1 142 26 26 ASP HA H 4.347 0.005 1 143 26 26 ASP HB2 H 2.645 0.005 2 144 26 26 ASP HB3 H 2.546 0.005 2 stop_ save_