data_2050 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Secondary Structure in Solution of Acyl-Coenzyme A Binding Protein from Bovine Liver Using 1H Nuclear Magnetic Resonance Spectroscopy ; _BMRB_accession_number 2050 _BMRB_flat_file_name bmr2050.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _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 Andersen Kim V. . 2 Ludvigsen Svend . . 3 Mandrup Susanne . . 4 Knudsen Jens . . 5 Poulsen Flemming M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 43 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-16 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 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 ; Andersen, Kim V., Ludvigsen, Svend, Mandrup, Susanne, Knudsen, Jens, Poulsen, Flemming M., "The Secondary Structure in Solution of Acyl-Coenzyme A Binding Protein from Bovine Liver Using 1H Nuclear Magnetic Resonance Spectroscopy," Biochemistry 30 (44), 10654-10663 (1991). ; _Citation_title ; The Secondary Structure in Solution of Acyl-Coenzyme A Binding Protein from Bovine Liver Using 1H Nuclear Magnetic Resonance Spectroscopy ; _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 Andersen Kim V. . 2 Ludvigsen Svend . . 3 Mandrup Susanne . . 4 Knudsen Jens . . 5 Poulsen Flemming M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 30 _Journal_issue 44 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10654 _Page_last 10663 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_acyl-coenzyme_A_binding_protein _Saveframe_category molecular_system _Mol_system_name 'acyl-coenzyme A binding protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'acyl-coenzyme A binding protein' $acyl-coenzyme_A_binding_protein stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_acyl-coenzyme_A_binding_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'acyl-coenzyme A binding protein' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; SQAEFDKAAEEVKHLKTKPA DEEMLFIYSHYKQATVGDIN TERPGMLDFKGKAKWDAWNE LKGTSKEDAMKAYIDKVEEL KKKYGI ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLN 3 ALA 4 GLU 5 PHE 6 ASP 7 LYS 8 ALA 9 ALA 10 GLU 11 GLU 12 VAL 13 LYS 14 HIS 15 LEU 16 LYS 17 THR 18 LYS 19 PRO 20 ALA 21 ASP 22 GLU 23 GLU 24 MET 25 LEU 26 PHE 27 ILE 28 TYR 29 SER 30 HIS 31 TYR 32 LYS 33 GLN 34 ALA 35 THR 36 VAL 37 GLY 38 ASP 39 ILE 40 ASN 41 THR 42 GLU 43 ARG 44 PRO 45 GLY 46 MET 47 LEU 48 ASP 49 PHE 50 LYS 51 GLY 52 LYS 53 ALA 54 LYS 55 TRP 56 ASP 57 ALA 58 TRP 59 ASN 60 GLU 61 LEU 62 LYS 63 GLY 64 THR 65 SER 66 LYS 67 GLU 68 ASP 69 ALA 70 MET 71 LYS 72 ALA 73 TYR 74 ILE 75 ASP 76 LYS 77 VAL 78 GLU 79 GLU 80 LEU 81 LYS 82 LYS 83 LYS 84 TYR 85 GLY 86 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 16419 ACBP 100.00 86 100.00 100.00 4.45e-54 BMRB 2049 "acyl-coenzyme A binding protein" 100.00 86 100.00 100.00 4.45e-54 PDB 1ACA "Three-Dimensional Structure Of The Complex Between Acyl-Coenzyme A Binding Protein And Palmitoyl-Coenzyme A" 100.00 86 100.00 100.00 4.45e-54 PDB 1HB6 "Structure Of Bovine Acyl-Coa Binding Protein In Orthorhombic Crystal Form" 100.00 86 100.00 100.00 4.45e-54 PDB 1HB8 "Structure Of Bovine Acyl-Coa Binding Protein In Tetragonal Crystal Form" 100.00 86 100.00 100.00 4.45e-54 PDB 1NTI "Rdc-Refined Nmr Structure Of Bovine Acyl-Coenzyme A Binding Protein, Acbp" 100.00 86 100.00 100.00 4.45e-54 PDB 1NVL "Rdc-Refined Nmr Structure Of Bovine Acyl-Coenzyme A Binding Protein, Acbp, In Complex With Palmitoyl-Coenzyme A" 100.00 86 100.00 100.00 4.45e-54 PDB 2ABD "The Three-Dimensional Structure Of Acyl-Coenzyme A Binding Protein From Bovine Liver. Structural Refinement Using Heteronuclear" 100.00 86 100.00 100.00 4.45e-54 EMBL CAA44618 "acyl-CoA-binding protein /diazepam-binding inhibitor [synthetic construct]" 100.00 87 100.00 100.00 4.24e-54 GB AAA30495 "endozepine precursor [Bos taurus]" 100.00 87 100.00 100.00 4.24e-54 GB AAI14182 "Diazepam binding inhibitor (GABA receptor modulator, acyl-Coenzyme A binding protein) [Bos taurus]" 100.00 87 100.00 100.00 4.24e-54 GB AIM41257 "acyl-CoA-binding protein [Bubalus bubalis]" 100.00 87 98.84 98.84 4.66e-53 GB ELR45212 "Acyl-CoA-binding protein, partial [Bos mutus]" 97.67 84 100.00 100.00 2.42e-52 REF NP_001106792 "acyl-CoA-binding protein [Bos taurus]" 100.00 87 100.00 100.00 4.24e-54 REF XP_004004799 "PREDICTED: acyl-CoA-binding protein [Ovis aries]" 100.00 87 97.67 98.84 8.04e-53 REF XP_005910864 "PREDICTED: acyl-CoA-binding protein isoform X2 [Bos mutus]" 100.00 87 100.00 100.00 4.24e-54 REF XP_006040065 "PREDICTED: acyl-CoA-binding protein-like [Bubalus bubalis]" 100.00 87 100.00 100.00 4.24e-54 REF XP_006057227 "PREDICTED: acyl-CoA-binding protein [Bubalus bubalis]" 100.00 87 98.84 98.84 4.66e-53 SP P07107 "RecName: Full=Acyl-CoA-binding protein; Short=ACBP; AltName: Full=Diazepam-binding inhibitor; Short=DBI; AltName: Full=Endozepi" 100.00 87 100.00 100.00 4.24e-54 TPG DAA32604 "TPA: acyl-CoA-binding protein [Bos taurus]" 100.00 87 100.00 100.00 4.24e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Tissue $acyl-coenzyme_A_binding_protein cow 9909 Eukaryota Metazoa Bos primigenius liver 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 $acyl-coenzyme_A_binding_protein '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 7 . na temperature 298 . 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 DSS H . CH3 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 'acyl-coenzyme A binding protein' _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 SER H H 8.294 . 1 2 . 1 SER HA H 4.597 . 1 3 . 1 SER HB2 H 4.001 . 2 4 . 1 SER HB3 H 4.197 . 2 5 . 2 GLN H H 8.844 . 1 6 . 2 GLN HB2 H 2.081 . 2 7 . 2 GLN HB3 H 2.222 . 2 8 . 2 GLN HG2 H 2.431 . 1 9 . 2 GLN HG3 H 2.431 . 1 10 . 2 GLN HE21 H 8.236 . 2 11 . 2 GLN HE22 H 6.562 . 2 12 . 3 ALA H H 8.481 . 1 13 . 3 ALA HB H 1.471 . 1 14 . 4 GLU H H 7.918 . 1 15 . 4 GLU HB2 H 2.377 . 1 16 . 4 GLU HB3 H 2.377 . 1 17 . 5 PHE H H 8.786 . 1 18 . 5 PHE HB2 H 3.035 . 2 19 . 5 PHE HB3 H 3.38 . 2 20 . 5 PHE HD1 H 7.195 . 1 21 . 5 PHE HD2 H 7.195 . 1 22 . 5 PHE HE1 H 6.488 . 1 23 . 5 PHE HE2 H 6.488 . 1 24 . 5 PHE HZ H 6.36 . 1 25 . 6 ASP H H 9.013 . 1 26 . 6 ASP HB2 H 2.673 . 2 27 . 6 ASP HB3 H 2.779 . 2 28 . 8 ALA H H 8.131 . 1 29 . 8 ALA HB H 1.697 . 1 30 . 9 ALA H H 8.477 . 1 31 . 9 ALA HB H 1.219 . 1 32 . 29 SER H H 8.503 . 1 33 . 67 GLU H H 8.905 . 1 34 . 70 MET H H 8.67 . 1 35 . 70 MET HB2 H 2.191 . 1 36 . 70 MET HB3 H 2.191 . 1 37 . 70 MET HG2 H 2.473 . 1 38 . 70 MET HG3 H 2.473 . 1 39 . 71 LYS H H 7.914 . 1 40 . 71 LYS HB2 H 2.059 . 1 41 . 71 LYS HB3 H 2.059 . 1 42 . 71 LYS HG2 H 1.61 . 1 43 . 71 LYS HG3 H 1.61 . 1 stop_ save_