data_5143 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the Second Intracellular Loop of the alpha2A adrenergic receptor: evidence for a Novel Cytoplasmic Helix ; _BMRB_accession_number 5143 _BMRB_flat_file_name bmr5143.str _Entry_type original _Submission_date 2001-09-09 _Accession_date 2001-09-10 _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 Chung Duane A. . 2 Zuiderweg Erik R.P. . 3 Fowler Carol B. . 4 Soyer Orkun S. . 5 Mosberg Henry I. . 6 Neubig Richard R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 183 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-04-09 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5144 'rhodopsin T3-I2-T4 peptide' 5149 'D130I mutant T3-I2(D130I) peptide' 5150 'T3-I2-T4 peptide' stop_ _Original_release_date 2002-04-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Structure of the Second Intracellular Loop of the alpha2A adrenergic receptor: evidence for a Novel Cytoplasmic Helix ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11888275 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chung Duane A. . 2 Zuiderweg Erik R.P. . 3 Fowler Carol B. . 4 Soyer Orkun S. . 5 Mosberg Henry I. . 6 Neubig Richard R. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 41 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3596 _Page_last 3604 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_system_alpha_2A_adrenoceptor _Saveframe_category molecular_system _Mol_system_name 'alpha2A adrenergic receptor' _Abbreviation_common 'alpha 2A adrenoceptor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'wild-type T3-I2 peptide' $WT_T3-I2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_WT_T3-I2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'adrenergic receptor peptide' _Abbreviation_common 'adrenergic receptor peptide' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 32 _Mol_residue_sequence ; TSSIVHLCAISLDRYWSITQ AIEYNLKRTPRR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 118 THR 2 119 SER 3 120 SER 4 121 ILE 5 122 VAL 6 123 HIS 7 124 LEU 8 125 CYS 9 126 ALA 10 127 ILE 11 128 SER 12 129 LEU 13 130 ASP 14 131 ARG 15 132 TYR 16 133 TRP 17 134 SER 18 135 ILE 19 136 THR 20 137 GLN 21 138 ALA 22 139 ILE 23 140 GLU 24 141 TYR 25 142 ASN 26 143 LEU 27 144 LYS 28 145 ARG 29 146 THR 30 147 PRO 31 148 ARG 32 149 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 5150 T3-I2-T4 90.63 35 100.00 100.00 7.56e-12 PDB 1HLL "Nmr Structure Of T3-I2, A 32 Residue Peptide From The Alpha- 2a Adrenergic Receptor" 100.00 32 100.00 100.00 1.47e-13 PDB 1HOF "Nmr Structure Of T3-I2, A 32 Residue Peptide From The Alpha- 2a Adrenergic Receptor" 96.88 32 100.00 100.00 7.28e-13 DBJ BAE24742 "unnamed protein product [Mus musculus]" 100.00 465 100.00 100.00 1.71e-13 DBJ BAG73970 "adrenergic, alpha-2A-, receptor [synthetic construct]" 100.00 450 100.00 100.00 2.93e-13 DBJ BAP05565 "adrenergic receptor alpha 2A, partial [Coturnix japonica]" 100.00 302 100.00 100.00 7.75e-13 GB AAA30984 "alpha2A-adrenergic receptor (PORA2AR) [Sus scrofa]" 100.00 450 100.00 100.00 2.52e-13 GB AAA37213 "alpha-2 adrenergic receptor [Mus musculus]" 100.00 450 100.00 100.00 2.01e-13 GB AAA42034 "alpha-2-adrenergic receptor [Rattus norvegicus]" 100.00 450 100.00 100.00 2.52e-13 GB AAA51664 "alpha-2-adrenergic receptor old gene name 'ADRA2R' [Homo sapiens]" 100.00 450 100.00 100.00 3.26e-13 GB AAA51665 "alpha-2 adrenergic receptor old gene name 'ADRA2R' [Homo sapiens]" 100.00 450 100.00 100.00 3.26e-13 PRF 2206293A "adrenoceptor alpha2A" 100.00 450 100.00 100.00 3.26e-13 REF NP_000672 "alpha-2A adrenergic receptor [Homo sapiens]" 100.00 465 100.00 100.00 2.48e-13 REF NP_001035044 "alpha-2A adrenergic receptor [Felis catus]" 100.00 450 100.00 100.00 2.40e-13 REF NP_001072843 "adrenoceptor alpha 2A [Xenopus (Silurana) tropicalis]" 100.00 434 100.00 100.00 3.59e-13 REF NP_001166317 "alpha-2A adrenergic receptor [Cavia porcellus]" 100.00 464 100.00 100.00 5.09e-13 REF NP_031443 "alpha-2A adrenergic receptor [Mus musculus]" 100.00 465 100.00 100.00 1.71e-13 SP P08913 "RecName: Full=Alpha-2A adrenergic receptor; AltName: Full=Alpha-2 adrenergic receptor subtype C10; AltName: Full=Alpha-2A adren" 100.00 450 100.00 100.00 2.93e-13 SP P18871 "RecName: Full=Alpha-2A adrenergic receptor; AltName: Full=Alpha-2A adrenoreceptor; Short=Alpha-2A adrenoceptor; Short=Alpha-2AA" 100.00 450 100.00 100.00 2.52e-13 SP P22909 "RecName: Full=Alpha-2A adrenergic receptor; AltName: Full=Alpha-2A adrenoreceptor; Short=Alpha-2A adrenoceptor; Short=Alpha-2AA" 100.00 450 100.00 100.00 2.01e-13 SP Q01338 "RecName: Full=Alpha-2A adrenergic receptor; AltName: Full=Alpha-2A adrenoreceptor; Short=Alpha-2A adrenoceptor; Short=Alpha-2AA" 100.00 450 100.00 100.00 2.01e-13 SP Q28838 "RecName: Full=Alpha-2A adrenergic receptor; AltName: Full=Alpha-2A adrenoreceptor; Short=Alpha-2A adrenoceptor; Short=Alpha-2AA" 100.00 452 100.00 100.00 4.13e-13 TPG DAA14715 "TPA: alpha-2A adrenergic receptor [Bos taurus]" 100.00 453 100.00 100.00 4.14e-13 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $WT_T3-I2 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 $WT_T3-I2 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelles _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $WT_T3-I2 0.9 mM . dodecyphosphocholine 460 mM . NaCl 50 mM . NaH2PO4 10 mM . H2O 90 % . D2O 10 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _Sample_label . save_ save_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _Sample_label . save_ save_1H-1H_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H COSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond-1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 0.2 n/a temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.00 internal direct cylindrical internal parallel 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond-1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'wild-type T3-I2 peptide' _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 THR H H 8.35 0.02 1 2 . 1 THR HA H 4.16 0.02 1 3 . 1 THR HB H 4.26 0.02 1 4 . 1 THR HG2 H 1.29 0.02 1 5 . 2 SER H H 8.67 0.02 1 6 . 2 SER HA H 4.37 0.02 1 7 . 2 SER HB2 H 4.01 0.02 2 8 . 2 SER HB3 H 3.94 0.02 2 9 . 3 SER H H 8.30 0.02 1 10 . 3 SER HA H 4.51 0.02 1 11 . 3 SER HB2 H 4.08 0.02 2 12 . 3 SER HB3 H 3.96 0.02 2 13 . 4 ILE H H 8.29 0.02 1 14 . 4 ILE HA H 3.98 0.02 1 15 . 4 ILE HB H 2.07 0.02 1 16 . 4 ILE HG2 H 0.99 0.02 1 17 . 4 ILE HG12 H 1.69 0.02 2 18 . 4 ILE HG13 H 1.33 0.02 2 19 . 4 ILE HD1 H 0.95 0.02 1 20 . 5 VAL H H 8.10 0.02 1 21 . 5 VAL HA H 3.71 0.02 1 22 . 5 VAL HB H 2.18 0.02 1 23 . 5 VAL HG1 H 1.09 0.02 2 24 . 5 VAL HG2 H 1.00 0.02 2 25 . 6 HIS H H 8.06 0.02 1 26 . 6 HIS HA H 4.55 0.02 1 27 . 6 HIS HB2 H 3.42 0.02 2 28 . 6 HIS HB3 H 3.38 0.02 2 29 . 6 HIS HD2 H 7.37 0.02 1 30 . 7 LEU H H 8.14 0.02 1 31 . 7 LEU HA H 4.16 0.02 1 32 . 7 LEU HB2 H 1.96 0.02 2 33 . 7 LEU HB3 H 1.79 0.02 2 34 . 7 LEU HG H 1.86 0.02 1 35 . 7 LEU HD1 H 0.99 0.02 2 36 . 8 CYS H H 8.25 0.02 1 37 . 8 CYS HA H 4.23 0.02 1 38 . 8 CYS HB2 H 3.19 0.02 2 39 . 8 CYS HB3 H 2.80 0.02 2 40 . 9 ALA H H 8.26 0.02 1 41 . 9 ALA HA H 4.14 0.02 1 42 . 9 ALA HB H 1.55 0.02 1 43 . 10 ILE H H 7.87 0.02 1 44 . 10 ILE HA H 4.10 0.02 1 45 . 10 ILE HB H 1.98 0.02 1 46 . 10 ILE HG2 H 0.90 0.02 1 47 . 10 ILE HG12 H 1.51 0.02 2 48 . 10 ILE HG13 H 1.27 0.02 2 49 . 11 SER H H 7.93 0.02 1 50 . 11 SER HA H 4.46 0.02 1 51 . 11 SER HB2 H 4.08 0.02 2 52 . 11 SER HB3 H 3.93 0.02 2 53 . 12 LEU H H 8.40 0.02 1 54 . 12 LEU HA H 4.27 0.02 1 55 . 12 LEU HB2 H 1.88 0.02 1 56 . 12 LEU HB3 H 1.88 0.02 1 57 . 12 LEU HG H 1.69 0.02 1 58 . 12 LEU HD1 H 0.98 0.02 2 59 . 12 LEU HD2 H 0.94 0.02 2 60 . 13 ASP H H 8.18 0.02 1 61 . 13 ASP HA H 4.52 0.02 1 62 . 13 ASP HB2 H 2.88 0.02 2 63 . 13 ASP HB3 H 2.85 0.02 2 64 . 14 ARG H H 7.98 0.02 1 65 . 14 ARG HA H 4.20 0.02 1 66 . 14 ARG HB2 H 1.82 0.02 2 67 . 14 ARG HB3 H 1.72 0.02 2 68 . 14 ARG HG2 H 1.51 0.02 2 69 . 14 ARG HG3 H 1.43 0.02 2 70 . 14 ARG HD2 H 3.16 0.02 1 71 . 14 ARG HD3 H 3.16 0.02 1 72 . 14 ARG HE H 7.36 0.02 1 73 . 15 TYR H H 8.01 0.02 1 74 . 15 TYR HA H 4.58 0.02 1 75 . 15 TYR HB2 H 3.25 0.02 2 76 . 15 TYR HB3 H 2.91 0.02 2 77 . 15 TYR HD1 H 7.05 0.02 1 78 . 15 TYR HD2 H 7.05 0.02 1 79 . 15 TYR HE1 H 6.80 0.02 1 80 . 15 TYR HE2 H 6.80 0.02 1 81 . 16 TRP H H 8.22 0.02 1 82 . 16 TRP HA H 4.64 0.02 1 83 . 16 TRP HB2 H 3.48 0.02 2 84 . 16 TRP HB3 H 3.42 0.02 2 85 . 16 TRP HD1 H 7.32 0.02 1 86 . 16 TRP HE3 H 7.63 0.02 1 87 . 16 TRP HZ3 H 7.07 0.02 1 88 . 16 TRP HZ2 H 7.53 0.02 1 89 . 16 TRP HH2 H 7.19 0.02 1 90 . 17 SER H H 8.40 0.02 1 91 . 17 SER HA H 4.26 0.02 1 92 . 17 SER HB2 H 4.05 0.02 2 93 . 17 SER HB3 H 3.96 0.02 2 94 . 18 ILE H H 8.12 0.02 1 95 . 18 ILE HA H 3.96 0.02 1 96 . 18 ILE HB H 2.10 0.02 1 97 . 18 ILE HG2 H 1.00 0.02 1 98 . 18 ILE HG12 H 1.78 0.02 2 99 . 18 ILE HG13 H 1.29 0.02 2 100 . 18 ILE HD1 H 0.96 0.02 1 101 . 19 THR H H 8.12 0.02 1 102 . 19 THR HA H 3.80 0.02 1 103 . 19 THR HB H 4.12 0.02 1 104 . 19 THR HG2 H 1.13 0.02 1 105 . 20 GLN H H 7.96 0.02 1 106 . 20 GLN HA H 3.95 0.02 1 107 . 20 GLN HB2 H 1.99 0.02 1 108 . 20 GLN HB3 H 1.99 0.02 1 109 . 20 GLN HG2 H 2.13 0.02 2 110 . 20 GLN HG3 H 2.08 0.02 2 111 . 21 ALA H H 7.72 0.02 1 112 . 21 ALA HA H 4.25 0.02 1 113 . 21 ALA HB H 1.58 0.02 1 114 . 22 ILE H H 8.14 0.02 1 115 . 22 ILE HA H 3.77 0.02 1 116 . 22 ILE HB H 2.03 0.02 1 117 . 22 ILE HG2 H 0.93 0.02 1 118 . 22 ILE HG12 H 1.91 0.02 2 119 . 22 ILE HG13 H 1.10 0.02 2 120 . 22 ILE HD1 H 0.88 0.02 1 121 . 23 GLU H H 8.28 0.02 1 122 . 23 GLU HA H 3.94 0.02 1 123 . 23 GLU HB2 H 2.14 0.02 1 124 . 23 GLU HB3 H 2.14 0.02 1 125 . 23 GLU HG2 H 2.52 0.02 2 126 . 23 GLU HG3 H 2.31 0.02 2 127 . 24 TYR H H 8.26 0.02 1 128 . 24 TYR HA H 4.28 0.02 1 129 . 24 TYR HB2 H 3.20 0.02 2 130 . 24 TYR HB3 H 3.11 0.02 2 131 . 24 TYR HD1 H 7.16 0.02 1 132 . 24 TYR HD2 H 7.16 0.02 1 133 . 25 ASN H H 7.92 0.02 1 134 . 25 ASN HA H 4.50 0.02 1 135 . 25 ASN HB2 H 2.84 0.02 2 136 . 25 ASN HB3 H 2.74 0.02 2 137 . 25 ASN HD21 H 7.69 0.02 2 138 . 25 ASN HD22 H 7.32 0.02 2 139 . 26 LEU H H 8.09 0.02 1 140 . 26 LEU HA H 4.29 0.02 1 141 . 26 LEU HB2 H 1.86 0.02 1 142 . 26 LEU HB3 H 1.86 0.02 1 143 . 26 LEU HG H 1.63 0.02 1 144 . 26 LEU HD1 H 0.92 0.02 2 145 . 27 LYS H H 7.74 0.02 1 146 . 27 LYS HA H 4.26 0.02 1 147 . 27 LYS HB2 H 1.91 0.02 2 148 . 27 LYS HB3 H 1.83 0.02 2 149 . 27 LYS HG2 H 1.54 0.02 2 150 . 27 LYS HG3 H 1.45 0.02 2 151 . 28 ARG H H 7.95 0.02 1 152 . 28 ARG HA H 4.36 0.02 1 153 . 28 ARG HB2 H 1.90 0.02 2 154 . 28 ARG HB3 H 1.77 0.02 2 155 . 28 ARG HG2 H 1.63 0.02 1 156 . 28 ARG HG3 H 1.63 0.02 1 157 . 28 ARG HD2 H 3.15 0.02 1 158 . 28 ARG HD3 H 3.15 0.02 1 159 . 29 THR H H 8.04 0.02 1 160 . 29 THR HA H 4.57 0.02 1 161 . 29 THR HB H 4.16 0.02 1 162 . 29 THR HG2 H 1.29 0.02 1 163 . 30 PRO HA H 4.48 0.02 1 164 . 30 PRO HB2 H 2.34 0.02 2 165 . 30 PRO HB3 H 1.95 0.02 2 166 . 30 PRO HG2 H 2.08 0.02 2 167 . 30 PRO HG3 H 2.03 0.02 2 168 . 30 PRO HD2 H 3.90 0.02 2 169 . 30 PRO HD3 H 3.75 0.02 2 170 . 31 ARG H H 8.41 0.02 1 171 . 31 ARG HA H 4.35 0.02 1 172 . 31 ARG HB2 H 1.91 0.02 2 173 . 31 ARG HB3 H 1.81 0.02 2 174 . 31 ARG HG2 H 1.71 0.02 1 175 . 31 ARG HG3 H 1.71 0.02 1 176 . 31 ARG HD2 H 3.24 0.02 1 177 . 31 ARG HD3 H 3.24 0.02 1 178 . 32 ARG H H 8.03 0.02 1 179 . 32 ARG HA H 4.21 0.02 1 180 . 32 ARG HB2 H 1.89 0.02 2 181 . 32 ARG HB3 H 1.76 0.02 2 182 . 32 ARG HG2 H 1.63 0.02 1 183 . 32 ARG HG3 H 1.63 0.02 1 stop_ save_