data_15831 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; chemical shift assignments and heteronuclear NOE of the N-terminal domain of the human Y2-receptor ; _BMRB_accession_number 15831 _BMRB_flat_file_name bmr15831.str _Entry_type original _Submission_date 2008-06-27 _Accession_date 2008-06-27 _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 Zerbe Oliver . . 2 Walser Reto . . 3 Zou Chao . . 4 Kumaran Sowmini . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 43 "15N chemical shifts" 43 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-13 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15830 'Y receptors N-Y1' 15832 'Y receptors N-Y5' stop_ _Original_release_date 2009-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Properties of the N-terminal domains from Y receptors probed by NMR spectroscopy.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19125388 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zou Chao . . 2 Kumaran Sowmini . . 3 Walser Reto . . 4 Zerbe Oliver . . stop_ _Journal_abbreviation 'J. Pept. Sci.' _Journal_volume 15 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 184 _Page_last 191 _Year 2009 _Details . loop_ _Keyword GPCR 'membrane protein' SPR 'structural biology' 'Y receptor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N-terminal domain of the Y2 receptor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label N-Y2 $N-Y2 stop_ _System_molecular_weight 5510 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_N-Y2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common N-Y2 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'neurohormone receptor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 50 _Mol_residue_sequence ; MGPIGAEADENQTVEEMKVE QYGPQTTPRGELVPDPEPEL IDSTKLIEVQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 PRO 4 ILE 5 GLY 6 ALA 7 GLU 8 ALA 9 ASP 10 GLU 11 ASN 12 GLN 13 THR 14 VAL 15 GLU 16 GLU 17 MET 18 LYS 19 VAL 20 GLU 21 GLN 22 TYR 23 GLY 24 PRO 25 GLN 26 THR 27 THR 28 PRO 29 ARG 30 GLY 31 GLU 32 LEU 33 VAL 34 PRO 35 ASP 36 PRO 37 GLU 38 PRO 39 GLU 40 LEU 41 ILE 42 ASP 43 SER 44 THR 45 LYS 46 LEU 47 ILE 48 GLU 49 VAL 50 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 DBJ BAG74149 "neuropeptide Y receptor Y2 [synthetic construct]" 100.00 381 100.00 100.00 2.13e-27 GB AAA93170 "type 2 neuropeptide Y receptor [Homo sapiens]" 100.00 381 100.00 100.00 2.13e-27 GB AAB04120 "neuropeptide y2 receptor [Homo sapiens]" 100.00 381 100.00 100.00 2.13e-27 GB AAB07760 "neuropeptide y/peptide YY receptor type 2 [Homo sapiens]" 100.00 381 100.00 100.00 3.26e-27 GB AAC50281 "neuropeptide Y/peptide YY Y2 receptor [Homo sapiens]" 100.00 381 100.00 100.00 2.13e-27 GB AAC51115 "type 2 neuropeptide Y receptor [Homo sapiens]" 100.00 381 100.00 100.00 2.13e-27 REF NP_000901 "neuropeptide Y receptor type 2 [Homo sapiens]" 100.00 381 100.00 100.00 2.13e-27 REF NP_001012655 "neuropeptide Y receptor type 2 [Pan troglodytes]" 100.00 381 100.00 100.00 2.13e-27 REF NP_001028004 "neuropeptide Y receptor type 2 [Macaca mulatta]" 100.00 381 98.00 98.00 8.46e-27 REF XP_002832879 "PREDICTED: neuropeptide Y receptor type 2 [Pongo abelii]" 100.00 381 100.00 100.00 2.13e-27 REF XP_003257918 "PREDICTED: neuropeptide Y receptor type 2 [Nomascus leucogenys]" 100.00 381 98.00 100.00 9.53e-27 SP P49146 "RecName: Full=Neuropeptide Y receptor type 2; Short=NPY2-R; AltName: Full=NPY-Y2 receptor; Short=Y2 receptor" 100.00 381 100.00 100.00 2.13e-27 SP Q5IS62 "RecName: Full=Neuropeptide Y receptor type 2; Short=NPY2-R; AltName: Full=NPY-Y2 receptor; Short=Y2 receptor" 100.00 381 100.00 100.00 2.13e-27 SP Q9GK74 "RecName: Full=Neuropeptide Y receptor type 2; Short=NPY2-R; AltName: Full=NPY-Y2 receptor; Short=Y2 receptor [Macaca mulatta]" 100.00 381 98.00 98.00 8.46e-27 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $N-Y2 Human 9606 Eukaryota Metazoa Homo sapiens NPY1R_HUMAN stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $N-Y2 'recombinant technology' . Escherichia coli BL21(DE3) C41(DE3) pUBK19 ; The peptide was produced as a C-terminal fusion to ubiquitin. For details see: Kohno, T.; Kusunoki, H.; Sato, K.; Wakamatsu, K. Journal of Biomolecular NMR 1998, 12, 109-121. For more information on the C41(DE3) cell strain see: Miroux, B.; Walker, J. E. J. Mol. Biol. 1996, 260, 289-298. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; buffer: 20 mM MES, pH 5.5, 300 mM DPC temperature: 300 K ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $N-Y2 0.2 mM [U-15N] MES 20 mM 'natural abundance' DPC 300 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; buffer: 20 mM MES, pH 5.5, 300 mM DPC temperature: 300 K ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $N-Y2 0.4 mM [U-15N] MES 20 mM 'natural abundance' DPC 300 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_NOE_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N NOE' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Chemical shifts were calibrated to the water line at 4.63 ppm and nitrogen shifts were referenced indirectly to liquid NH3.' 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 water H 1 protons ppm 4.63 internal direct . . . 1.0 'liquid anhydrous ammonia' N 15 nitrogen ppm 0 internal indirect . . . 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_ _Software_label $XEASY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' 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 N-Y2 _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 2 2 GLY H H 8.585 0.020 1 2 2 2 GLY N N 112.057 0.400 1 3 4 4 ILE H H 8.165 0.020 1 4 4 4 ILE N N 120.146 0.400 1 5 5 5 GLY H H 8.421 0.020 1 6 5 5 GLY N N 112.888 0.400 1 7 6 6 ALA H H 8.073 0.020 1 8 6 6 ALA N N 123.610 0.400 1 9 7 7 GLU H H 8.386 0.020 1 10 7 7 GLU N N 119.391 0.400 1 11 8 8 ALA H H 8.136 0.020 1 12 8 8 ALA N N 123.888 0.400 1 13 9 9 ASP H H 8.125 0.020 1 14 9 9 ASP N N 119.127 0.400 1 15 10 10 GLU H H 8.301 0.020 1 16 10 10 GLU N N 120.876 0.400 1 17 11 11 ASN H H 8.372 0.020 1 18 11 11 ASN N N 118.650 0.400 1 19 12 12 GLN H H 8.152 0.020 1 20 12 12 GLN N N 120.304 0.400 1 21 13 13 THR H H 8.147 0.020 1 22 13 13 THR N N 115.682 0.400 1 23 14 14 VAL H H 8.089 0.020 1 24 14 14 VAL N N 122.166 0.400 1 25 15 15 GLU H H 8.327 0.020 1 26 15 15 GLU N N 123.803 0.400 1 27 16 16 GLU H H 8.261 0.020 1 28 16 16 GLU N N 121.468 0.400 1 29 17 17 MET H H 8.222 0.020 1 30 17 17 MET N N 121.075 0.400 1 31 18 18 LYS H H 8.176 0.020 1 32 18 18 LYS N N 122.791 0.400 1 33 19 19 VAL H H 8.023 0.020 1 34 19 19 VAL N N 121.031 0.400 1 35 20 20 GLU H H 8.370 0.020 1 36 20 20 GLU N N 123.881 0.400 1 37 21 21 GLN H H 8.147 0.020 1 38 21 21 GLN N N 120.611 0.400 1 39 22 22 TYR H H 8.120 0.020 1 40 22 22 TYR N N 120.402 0.400 1 41 23 23 GLY H H 8.060 0.020 1 42 23 23 GLY N N 109.826 0.400 1 43 25 25 GLN H H 8.487 0.020 1 44 25 25 GLN N N 119.833 0.400 1 45 26 26 THR H H 8.076 0.020 1 46 26 26 THR N N 114.748 0.400 1 47 27 27 THR H H 8.085 0.020 1 48 27 27 THR N N 118.549 0.400 1 49 29 29 ARG H H 8.327 0.020 1 50 29 29 ARG N N 121.020 0.400 1 51 30 30 GLY H H 8.277 0.020 1 52 30 30 GLY N N 109.439 0.400 1 53 31 31 GLU H H 8.147 0.020 1 54 31 31 GLU N N 119.938 0.400 1 55 32 32 LEU H H 8.188 0.020 1 56 32 32 LEU N N 122.827 0.400 1 57 33 33 VAL H H 8.042 0.020 1 58 33 33 VAL N N 122.646 0.400 1 59 35 35 ASP H H 8.227 0.020 1 60 35 35 ASP N N 121.317 0.400 1 61 37 37 GLU H H 8.302 0.020 1 62 37 37 GLU N N 121.785 0.400 1 63 39 39 GLU H H 8.373 0.020 1 64 39 39 GLU N N 120.138 0.400 1 65 40 40 LEU H H 8.182 0.020 1 66 40 40 LEU N N 123.284 0.400 1 67 41 41 ILE H H 7.977 0.020 1 68 41 41 ILE N N 121.248 0.400 1 69 42 42 ASP H H 8.258 0.020 1 70 42 42 ASP N N 123.929 0.400 1 71 43 43 SER H H 8.360 0.020 1 72 43 43 SER N N 117.806 0.400 1 73 44 44 THR H H 8.212 0.020 1 74 44 44 THR N N 114.898 0.400 1 75 45 45 LYS H H 7.832 0.020 1 76 45 45 LYS N N 122.161 0.400 1 77 46 46 LEU H H 7.918 0.020 1 78 46 46 LEU N N 122.245 0.400 1 79 47 47 ILE H H 7.832 0.020 1 80 47 47 ILE N N 120.248 0.400 1 81 48 48 GLU H H 8.262 0.020 1 82 48 48 GLU N N 124.444 0.400 1 83 49 49 VAL H H 8.062 0.020 1 84 49 49 VAL N N 121.393 0.400 1 85 50 50 GLN H H 7.885 0.020 1 86 50 50 GLN N N 128.501 0.400 1 stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $XEASY stop_ loop_ _Experiment_label '2D 1H-15N NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 700 _Mol_system_component_name N-Y2 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak integral' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 GLY -6.21 . 4 ILE 0.00 . 5 GLY -0.28 . 6 ALA -0.21 . 7 GLU -0.16 . 8 ALA -0.07 . 9 ASP -0.05 . 10 GLU -0.13 . 11 ASN -0.04 . 12 GLN -0.03 . 13 THR 0.02 . 14 VAL 0.00 . 15 GLU -0.03 . 16 GLU -0.03 . 17 MET 0.01 . 18 LYS -0.01 . 19 VAL 0.00 . 20 GLU 0.01 . 21 GLN 0.05 . 22 TYR 0.03 . 23 GLY -0.09 . 25 GLN -0.03 . 26 THR -0.02 . 27 THR -0.01 . 29 ARG -0.05 . 30 GLY -0.08 . 31 GLU 0.05 . 32 LEU 0.03 . 33 VAL -0.06 . 35 ASP 0.13 . 37 GLU -0.01 . 39 GLU 0.01 . 40 LEU 0.04 . 41 ILE -0.07 . 42 ASP -0.03 . 43 SER 0.04 . 44 THR 0.12 . 45 LYS 0.05 . 46 LEU -0.06 . 47 ILE -0.06 . 48 GLU -0.26 . 49 VAL -0.45 . 50 GLN -0.44 . stop_ save_