data_1677 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H-NMR Assignments and Conformational Studies of Melanin Concentrating Hormone in Water Using Two-Dimensional NMR ; _BMRB_accession_number 1677 _BMRB_flat_file_name bmr1677.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _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 Matsunaga Terry O. . 2 Gehrig Catherine A. . 3 Hruby Victor J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-15 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Matsunaga, Terry O., Gehrig, Catherine A., Hruby, Victor J., "1H-NMR Assignments and Conformational Studies of Melanin Concentrating Hormone in Water Using Two-Dimensional NMR," Biopolymers 30 (13-14), 1291-1295 (1990). ; _Citation_title ; 1H-NMR Assignments and Conformational Studies of Melanin Concentrating Hormone in Water Using Two-Dimensional NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Matsunaga Terry O. . 2 Gehrig Catherine A. . 3 Hruby Victor J. . stop_ _Journal_abbreviation Biopolymers _Journal_volume 30 _Journal_issue 13-14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1291 _Page_last 1295 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_melanin_concentrating_hormone _Saveframe_category molecular_system _Mol_system_name 'melanin concentrating hormone' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'melanin concentrating hormone' $melanin_concentrating_hormone stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_melanin_concentrating_hormone _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'melanin concentrating hormone' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 17 _Mol_residue_sequence DTMRCMVGRVYRPCWEV loop_ _Residue_seq_code _Residue_label 1 ASP 2 THR 3 MET 4 ARG 5 CYS 6 MET 7 VAL 8 GLY 9 ARG 10 VAL 11 TYR 12 ARG 13 PRO 14 CYS 15 TRP 16 GLU 17 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 EMBL CAA31978 "unnamed protein product [Oncorhynchus keta]" 100.00 132 100.00 100.00 1.13e-03 EMBL CAA52059 "melanin-concentrating hormone 1 [Oncorhynchus mykiss]" 100.00 132 100.00 100.00 1.40e-03 EMBL CAA52060 "melanin-concentrating hormone 2 [Oncorhynchus mykiss]" 100.00 132 100.00 100.00 1.13e-03 EMBL CAA57050 "prepro-melanin-concentrating hormone [Oreochromis mossambicus]" 100.00 136 100.00 100.00 2.37e-04 EMBL CAL48576 "melanin-concentrating hormone [Carassius auratus]" 100.00 124 100.00 100.00 1.11e-04 GB AAA49418 "melanin concentrating hormone 1 (MCH1) precursor [Oncorhynchus keta]" 100.00 132 100.00 100.00 1.38e-03 GB AAA49419 "melanin concentrating hormone 2 (MCH2) precursor [Oncorhynchus keta]" 100.00 132 100.00 100.00 2.46e-04 GB AAA49420 "melanin-concentrating hormone precursor [Oncorhynchus keta]" 100.00 132 100.00 100.00 1.24e-03 GB AAA49421 "melanin-concentrating hormone precursor [Oncorhynchus keta]" 100.00 132 100.00 100.00 1.15e-03 GB AAA49422 "melanin-concentrating hormone 1 precursor [Oncorhynchus tshawytscha]" 100.00 132 100.00 100.00 1.13e-03 PRF 0910249A "melanin concentrating hormone" 100.00 17 100.00 100.00 9.06e-03 PRF 1717333A "melanin-concentrating hormone" 100.00 132 100.00 100.00 1.24e-03 REF NP_001135051 "Pro-MCH 1 precursor [Salmo salar]" 100.00 132 100.00 100.00 1.38e-03 REF NP_001155960 "pro-melanin-concentrating hormone, like precursor [Danio rerio]" 100.00 124 100.00 100.00 1.43e-04 REF XP_003440133 "PREDICTED: pro-MCH [Oreochromis niloticus]" 100.00 136 100.00 100.00 1.12e-03 REF XP_004075131 "PREDICTED: pro-MCH-like [Oryzias latipes]" 100.00 136 100.00 100.00 1.55e-03 REF XP_004538524 "PREDICTED: pro-MCH [Maylandia zebra]" 100.00 136 100.00 100.00 1.12e-03 SP P17640 "RecName: Full=Pro-MCH 1; Contains: RecName: Full=Neuropeptide-glutamic acid-valine; AltName: Full=Neuropeptide E-V; Short=NEV; " 100.00 132 100.00 100.00 1.40e-03 SP P19713 "RecName: Full=Pro-MCH 1; Contains: RecName: Full=Neuropeptide-glutamic acid-valine; AltName: Full=Neuropeptide E-V; Short=NEV; " 100.00 132 100.00 100.00 1.38e-03 SP P33745 "RecName: Full=Pro-MCH 1; Contains: RecName: Full=Neuropeptide-glutamic acid-valine; AltName: Full=Neuropeptide E-V; Short=NEV; " 100.00 132 100.00 100.00 1.40e-03 SP P49794 "RecName: Full=Pro-MCH; Contains: RecName: Full=Melanin-concentrating hormone; Short=MCH; Flags: Precursor" 100.00 136 100.00 100.00 2.37e-04 SP P56943 "RecName: Full=Pro-MCH 1; Contains: RecName: Full=Neuropeptide-glutamic acid-valine; AltName: Full=Neuropeptide E-V; Short=NEV; " 100.00 132 100.00 100.00 2.82e-04 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $melanin_concentrating_hormone salmon 8025 Eukaryota Metazoa Oncorhynchus sp. generic 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 $melanin_concentrating_hormone 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.6 . na temperature 301 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label TSP H . . ppm 0 . . . . . $entry_citation $entry_citation 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'melanin concentrating hormone' _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 ASP HA H 4.38 . 1 2 . 1 ASP HB2 H 2.84 . 1 3 . 1 ASP HB3 H 2.84 . 1 4 . 2 THR H H 8.75 . 1 5 . 2 THR HA H 4.42 . 1 6 . 2 THR HB H 4.2 . 1 7 . 2 THR HG2 H 1.25 . 1 8 . 3 MET H H 8.54 . 1 9 . 3 MET HA H 4.61 . 1 10 . 3 MET HB2 H 2.59 . 1 11 . 3 MET HB3 H 2.59 . 1 12 . 3 MET HG2 H 2.06 . 1 13 . 3 MET HG3 H 2.06 . 1 14 . 4 ARG H H 8.53 . 1 15 . 4 ARG HA H 4.71 . 1 16 . 4 ARG HB2 H 1.65 . 2 17 . 4 ARG HB3 H 1.58 . 2 18 . 4 ARG HG2 H 1.45 . 1 19 . 4 ARG HG3 H 1.45 . 1 20 . 4 ARG HD2 H 2.95 . 1 21 . 4 ARG HD3 H 2.95 . 1 22 . 4 ARG HE H 7.06 . 1 23 . 5 CYS H H 8.96 . 1 24 . 5 CYS HA H 5.05 . 1 25 . 5 CYS HB2 H 2.88 . 2 26 . 5 CYS HB3 H 3.01 . 2 27 . 6 MET H H 8.69 . 1 28 . 6 MET HA H 4.62 . 1 29 . 6 MET HB2 H 1.89 . 1 30 . 6 MET HB3 H 1.89 . 1 31 . 6 MET HG2 H 1.65 . 1 32 . 6 MET HG3 H 1.65 . 1 33 . 7 VAL H H 8.65 . 1 34 . 7 VAL HA H 4.14 . 1 35 . 7 VAL HB H 1.89 . 1 36 . 7 VAL HG1 H .84 . 1 37 . 7 VAL HG2 H .84 . 1 38 . 8 GLY H H 8.88 . 1 39 . 8 GLY HA2 H 3.71 . 2 40 . 8 GLY HA3 H 4 . 2 41 . 9 ARG H H 8.68 . 1 42 . 9 ARG HA H 4.33 . 1 43 . 9 ARG HB2 H 1.76 . 2 44 . 9 ARG HB3 H 2.02 . 2 45 . 9 ARG HG2 H 1.6 . 1 46 . 9 ARG HG3 H 1.6 . 1 47 . 9 ARG HD2 H 3.19 . 1 48 . 9 ARG HD3 H 3.19 . 1 49 . 9 ARG HE H 7.19 . 1 50 . 10 VAL H H 7.66 . 1 51 . 10 VAL HA H 4.34 . 1 52 . 10 VAL HB H 2.07 . 1 53 . 10 VAL HG1 H .91 . 1 54 . 10 VAL HG2 H .91 . 1 55 . 11 TYR H H 8.42 . 1 56 . 11 TYR HA H 4.94 . 1 57 . 11 TYR HB2 H 2.82 . 2 58 . 11 TYR HB3 H 2.86 . 2 59 . 12 ARG H H 8.69 . 1 60 . 12 ARG HA H 4.78 . 1 61 . 12 ARG HB2 H 1.8 . 1 62 . 12 ARG HB3 H 1.8 . 1 63 . 12 ARG HG2 H 1.53 . 2 64 . 12 ARG HG3 H 1.54 . 2 65 . 12 ARG HD2 H 3.12 . 1 66 . 12 ARG HD3 H 3.12 . 1 67 . 12 ARG HE H 7.21 . 1 68 . 13 PRO HA H 4.35 . 1 69 . 13 PRO HB2 H 1.87 . 2 70 . 13 PRO HB3 H 2 . 2 71 . 13 PRO HG2 H 1.31 . 1 72 . 13 PRO HG3 H 1.31 . 1 73 . 13 PRO HD2 H 3.7 . 2 74 . 13 PRO HD3 H 3.45 . 2 75 . 14 CYS H H 8.72 . 1 76 . 14 CYS HA H 4.76 . 1 77 . 14 CYS HB2 H 1.28 . 1 78 . 14 CYS HB3 H 1.28 . 1 79 . 15 TRP H H 7.75 . 1 80 . 15 TRP HA H 4.79 . 1 81 . 15 TRP HB2 H 3.34 . 1 82 . 15 TRP HB3 H 3.34 . 1 83 . 16 GLU H H 7.88 . 1 84 . 16 GLU HA H 4.41 . 1 85 . 16 GLU HB2 H 2 . 1 86 . 16 GLU HB3 H 2 . 1 87 . 16 GLU HG2 H 1.68 . 1 88 . 16 GLU HG3 H 1.68 . 1 89 . 17 VAL H H 7.69 . 1 90 . 17 VAL HA H 4.07 . 1 91 . 17 VAL HB H 2.13 . 1 92 . 17 VAL HG1 H .89 . 1 93 . 17 VAL HG2 H .89 . 1 stop_ save_