data_2454 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2454 _Entry.Title ; Acyl Carrier Protein from Escherichia coli I. Aspects of the Solution Structure As Evidenced by Proton Nuclear Overhauser Experiments at 500 MHz ; _Entry.Type . _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kevin Mayo . H. . 2454 2 P. Tyrell . M. . 2454 3 J. Prestegard . H. . 2454 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2454 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 23 2454 '13C chemical shifts' 2 2454 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 5 . . 2010-06-16 . revision BMRB 'Complete natural source information' 2454 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2454 3 . . 1996-04-12 . revision BMRB 'Error corrected in abrreviations given to non-polymers' 2454 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2454 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2454 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2454 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Mayo, Kevin H., Tyrell, P.M., Prestegard, J.H., "Acyl Carrier Protein from Escherichia coli I. Aspects of the Solution Structure As Evidenced by Proton Nuclear Overhauser Experiments at 500 MHz," Biochemistry 22 (19), 4485-4493 (1983). ; _Citation.Title 'Acyl Carrier Protein from Escherichia coli I. Aspects of the Solution Structure As Evidenced by Proton Nuclear Overhauser Experiments at 500 MHz' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4485 _Citation.Page_last 4493 _Citation.Year 1983 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kevin Mayo . H. . 2454 1 2 P. Tyrell . M. . 2454 1 3 J. Prestegard . H. . 2454 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_acyl_carrier_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_acyl_carrier_protein _Assembly.Entry_ID 2454 _Assembly.ID 1 _Assembly.Name 'acyl carrier protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'acyl carrier protein' 1 $acyl_carrier_protein . . . . . . . . . 2454 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'acyl carrier protein' system 2454 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_acyl_carrier_protein _Entity.Sf_category entity _Entity.Sf_framecode acyl_carrier_protein _Entity.Entry_ID 2454 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'acyl carrier protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; STIEERVKKIIGEQLGVKQE EVTNNASFVEDLGADXLDTV ELVMALEEEFDTEIPDEEAE KITTVQAAIDYINGHQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 77 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 3 . "acyl carrier protein" . . . . . 100.00 77 100.00 100.00 5.04e-44 . . . . 2454 1 2 no PDB 1ACP . "Refinement Of The Nmr Structures For Acyl Carrier Protein With Scalar Coupling Data" . . . . . 100.00 77 98.70 98.70 3.19e-44 . . . . 2454 1 3 no PDB 1L0H . "Crystal Structure Of Butyryl-Acp From E.Coli" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 4 no PDB 1L0I . "Crystal Structure Of Butyryl-Acp I62m Mutant" . . . . . 100.00 78 97.40 98.70 7.19e-44 . . . . 2454 1 5 no PDB 1T8K . "Crystal Structure Of Apo Acyl Carrier Protein From E. Coli" . . . . . 100.00 77 98.70 98.70 3.19e-44 . . . . 2454 1 6 no PDB 2FAC . "Crystal Structure Of E. Coli Hexanoyl-acp" . . . . . 100.00 77 98.70 98.70 3.19e-44 . . . . 2454 1 7 no PDB 2FAD . "Crystal Structure Of E. Coli Heptanoyl-Acp" . . . . . 100.00 77 98.70 98.70 3.19e-44 . . . . 2454 1 8 no PDB 2FAE . "Crystal Structure Of E. Coli Decanoyl-Acp" . . . . . 100.00 77 98.70 98.70 3.19e-44 . . . . 2454 1 9 no PDB 2FHS . "Structure Of Acyl Carrier Protein Bound To Fabi, The Enoyl Reductase From Escherichia Coli" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 10 no PDB 2K92 . "Structural Modification Of Acyl Carrier Protein By Butyryl Group" . . . . . 100.00 77 97.40 98.70 8.05e-44 . . . . 2454 1 11 no PDB 2K93 . "Structural Modification Of Acyl Carrier Protein By Butyryl Group" . . . . . 100.00 77 97.40 98.70 8.05e-44 . . . . 2454 1 12 no PDB 2K94 . "Structural Modification Of Acyl Carrier Protein By Butyryl Group" . . . . . 100.00 77 97.40 98.70 8.05e-44 . . . . 2454 1 13 no PDB 3EJB . "Crystal Structure Of P450bioi In Complex With Tetradecanoic Acid Ligated Acyl Carrier Protein" . . . . . 100.00 97 98.70 98.70 1.38e-44 . . . . 2454 1 14 no PDB 3EJD . "Crystal Structure Of P450bioi In Complex With Hexadec-9z- Enoic Acid Ligated Acyl Carrier Protein" . . . . . 100.00 97 98.70 98.70 1.38e-44 . . . . 2454 1 15 no PDB 3EJE . "Crystal Structure Of P450bioi In Complex With Octadec-9z- Enoic Acid Ligated Acyl Carrier Protein" . . . . . 100.00 97 98.70 98.70 1.38e-44 . . . . 2454 1 16 no PDB 3NY7 . "Stas Domain Of Ychm Bound To Acp" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 17 no PDB 4ETW . "Structure Of The Enzyme-Acp Substrate Gatekeeper Complex Required For Biotin Synthesis" . . . . . 100.00 77 98.70 98.70 3.19e-44 . . . . 2454 1 18 no PDB 4IHF . "Chasing Acyl Carrier Protein Through A Catalytic Cycle Of Lipid A Production" . . . . . 100.00 80 98.70 98.70 2.45e-44 . . . . 2454 1 19 no PDB 4IHG . "Chasing Acyl Carrier Protein Through A Catalytic Cycle Of Lipid A Production" . . . . . 100.00 80 98.70 98.70 2.45e-44 . . . . 2454 1 20 no PDB 4IHH . "Chasing Acyl Carrier Protein Through A Catalytic Cycle Of Lipid A Production" . . . . . 100.00 80 98.70 98.70 2.45e-44 . . . . 2454 1 21 no PDB 4KEH . "Crosslinked Crystal Structure Of Type Ii Fatty Synthase Dehydratase, Faba, And Acyl Carrier Protein, Acpp" . . . . . 100.00 77 98.70 98.70 3.19e-44 . . . . 2454 1 22 no DBJ BAA35902 . "acyl carrier protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 23 no DBJ BAB34895 . "acyl carrier protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 24 no DBJ BAG76682 . "acyl carrier protein [Escherichia coli SE11]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 25 no DBJ BAH62795 . "acyl carrier protein [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 26 no DBJ BAI24728 . "acyl carrier protein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 27 no EMBL CAD08320 . "acyl carrier protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 28 no EMBL CAP75586 . "acyl carrier protein [Escherichia coli LF82]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 29 no EMBL CAQ31615 . "apo-[acyl carrier protein] [Escherichia coli BL21(DE3)]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 30 no EMBL CAQ89348 . "acyl carrier protein (ACP) [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 31 no EMBL CAQ97993 . "acyl carrier protein (ACP) [Escherichia coli IAI1]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 32 no GB AAA23740 . "acyl carrier protein [Escherichia coli]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 33 no GB AAC24154 . "acyl carrier protein [synthetic construct]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 34 no GB AAC74178 . "acyl carrier protein (ACP) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 35 no GB AAG55840 . "acyl carrier protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 36 no GB AAL20125 . "acyl carrier protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 37 no PIR AE0642 . "acyl carrier protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 38 no REF NP_309499 . "acyl carrier protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 39 no REF NP_415612 . "acyl carrier protein (ACP) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 40 no REF NP_455689 . "acyl carrier protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 41 no REF NP_460166 . "acyl carrier protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 42 no REF NP_707010 . "acyl carrier protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 43 no SP A6T7F4 . "RecName: Full=Acyl carrier protein; Short=ACP" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 44 no SP A7MFR6 . "RecName: Full=Acyl carrier protein; Short=ACP" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 45 no SP A7ZKJ7 . "RecName: Full=Acyl carrier protein; Short=ACP" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 46 no SP A7ZZ51 . "RecName: Full=Acyl carrier protein; Short=ACP" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 47 no SP A9N5L0 . "RecName: Full=Acyl carrier protein; Short=ACP" . . . . . 100.00 78 98.70 98.70 2.88e-44 . . . . 2454 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'acyl carrier protein' common 2454 1 'major isostereomer' variant 2454 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 SER . 2454 1 2 2 THR . 2454 1 3 3 ILE . 2454 1 4 4 GLU . 2454 1 5 5 GLU . 2454 1 6 6 ARG . 2454 1 7 7 VAL . 2454 1 8 8 LYS . 2454 1 9 9 LYS . 2454 1 10 10 ILE . 2454 1 11 11 ILE . 2454 1 12 12 GLY . 2454 1 13 13 GLU . 2454 1 14 14 GLN . 2454 1 15 15 LEU . 2454 1 16 16 GLY . 2454 1 17 17 VAL . 2454 1 18 18 LYS . 2454 1 19 19 GLN . 2454 1 20 20 GLU . 2454 1 21 21 GLU . 2454 1 22 22 VAL . 2454 1 23 23 THR . 2454 1 24 24 ASN . 2454 1 25 25 ASN . 2454 1 26 26 ALA . 2454 1 27 27 SER . 2454 1 28 28 PHE . 2454 1 29 29 VAL . 2454 1 30 30 GLU . 2454 1 31 31 ASP . 2454 1 32 32 LEU . 2454 1 33 33 GLY . 2454 1 34 34 ALA . 2454 1 35 35 ASP . 2454 1 36 36 S_Ppt . 2454 1 37 37 LEU . 2454 1 38 38 ASP . 2454 1 39 39 THR . 2454 1 40 40 VAL . 2454 1 41 41 GLU . 2454 1 42 42 LEU . 2454 1 43 43 VAL . 2454 1 44 44 MET . 2454 1 45 45 ALA . 2454 1 46 46 LEU . 2454 1 47 47 GLU . 2454 1 48 48 GLU . 2454 1 49 49 GLU . 2454 1 50 50 PHE . 2454 1 51 51 ASP . 2454 1 52 52 THR . 2454 1 53 53 GLU . 2454 1 54 54 ILE . 2454 1 55 55 PRO . 2454 1 56 56 ASP . 2454 1 57 57 GLU . 2454 1 58 58 GLU . 2454 1 59 59 ALA . 2454 1 60 60 GLU . 2454 1 61 61 LYS . 2454 1 62 62 ILE . 2454 1 63 63 THR . 2454 1 64 64 THR . 2454 1 65 65 VAL . 2454 1 66 66 GLN . 2454 1 67 67 ALA . 2454 1 68 68 ALA . 2454 1 69 69 ILE . 2454 1 70 70 ASP . 2454 1 71 71 TYR . 2454 1 72 72 ILE . 2454 1 73 73 ASN . 2454 1 74 74 GLY . 2454 1 75 75 HIS . 2454 1 76 76 GLN . 2454 1 77 77 ALA . 2454 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 2454 1 . THR 2 2 2454 1 . ILE 3 3 2454 1 . GLU 4 4 2454 1 . GLU 5 5 2454 1 . ARG 6 6 2454 1 . VAL 7 7 2454 1 . LYS 8 8 2454 1 . LYS 9 9 2454 1 . ILE 10 10 2454 1 . ILE 11 11 2454 1 . GLY 12 12 2454 1 . GLU 13 13 2454 1 . GLN 14 14 2454 1 . LEU 15 15 2454 1 . GLY 16 16 2454 1 . VAL 17 17 2454 1 . LYS 18 18 2454 1 . GLN 19 19 2454 1 . GLU 20 20 2454 1 . GLU 21 21 2454 1 . VAL 22 22 2454 1 . THR 23 23 2454 1 . ASN 24 24 2454 1 . ASN 25 25 2454 1 . ALA 26 26 2454 1 . SER 27 27 2454 1 . PHE 28 28 2454 1 . VAL 29 29 2454 1 . GLU 30 30 2454 1 . ASP 31 31 2454 1 . LEU 32 32 2454 1 . GLY 33 33 2454 1 . ALA 34 34 2454 1 . ASP 35 35 2454 1 . S_Ppt 36 36 2454 1 . LEU 37 37 2454 1 . ASP 38 38 2454 1 . THR 39 39 2454 1 . VAL 40 40 2454 1 . GLU 41 41 2454 1 . LEU 42 42 2454 1 . VAL 43 43 2454 1 . MET 44 44 2454 1 . ALA 45 45 2454 1 . LEU 46 46 2454 1 . GLU 47 47 2454 1 . GLU 48 48 2454 1 . GLU 49 49 2454 1 . PHE 50 50 2454 1 . ASP 51 51 2454 1 . THR 52 52 2454 1 . GLU 53 53 2454 1 . ILE 54 54 2454 1 . PRO 55 55 2454 1 . ASP 56 56 2454 1 . GLU 57 57 2454 1 . GLU 58 58 2454 1 . ALA 59 59 2454 1 . GLU 60 60 2454 1 . LYS 61 61 2454 1 . ILE 62 62 2454 1 . THR 63 63 2454 1 . THR 64 64 2454 1 . VAL 65 65 2454 1 . GLN 66 66 2454 1 . ALA 67 67 2454 1 . ALA 68 68 2454 1 . ILE 69 69 2454 1 . ASP 70 70 2454 1 . TYR 71 71 2454 1 . ILE 72 72 2454 1 . ASN 73 73 2454 1 . GLY 74 74 2454 1 . HIS 75 75 2454 1 . GLN 76 76 2454 1 . ALA 77 77 2454 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 2454 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $acyl_carrier_protein . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 2454 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 2454 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $acyl_carrier_protein . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2454 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_S_Ppt _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode S_Ppt _Chem_comp.Entry_ID 2454 _Chem_comp.ID S_Ppt _Chem_comp.Provenance . _Chem_comp.Name 4'-phosphopantetheinyl-L-serine _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic no _Chem_comp.Aromatic . _Chem_comp.Formula . _Chem_comp.Formula_weight . _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID 4'-phosphopantetheinyl-L-serine common 2454 S_Ppt S_Ppt abbreviation 2454 S_Ppt stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2454 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 2454 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.7 . na 2454 1 temperature 303 . K 2454 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 2454 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 2454 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 2454 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . DSS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2454 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 2454 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 2454 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 28 28 PHE HA H 1 4.62 . . 1 . . . . . . . . 2454 1 2 . 1 1 28 28 PHE HB2 H 1 3.55 . . 2 . . . . . . . . 2454 1 3 . 1 1 28 28 PHE HB3 H 1 2.74 . . 2 . . . . . . . . 2454 1 4 . 1 1 28 28 PHE HD1 H 1 7.65 . . 1 . . . . . . . . 2454 1 5 . 1 1 28 28 PHE HD2 H 1 7.65 . . 1 . . . . . . . . 2454 1 6 . 1 1 28 28 PHE HE1 H 1 7.17 . . 1 . . . . . . . . 2454 1 7 . 1 1 28 28 PHE HE2 H 1 7.17 . . 1 . . . . . . . . 2454 1 8 . 1 1 28 28 PHE HZ H 1 7.23 . . 1 . . . . . . . . 2454 1 9 . 1 1 50 50 PHE HA H 1 4.35 . . 1 . . . . . . . . 2454 1 10 . 1 1 50 50 PHE HB2 H 1 3.14 . . 2 . . . . . . . . 2454 1 11 . 1 1 50 50 PHE HB3 H 1 3.04 . . 2 . . . . . . . . 2454 1 12 . 1 1 50 50 PHE HD1 H 1 7.08 . . 1 . . . . . . . . 2454 1 13 . 1 1 50 50 PHE HD2 H 1 7.08 . . 1 . . . . . . . . 2454 1 14 . 1 1 50 50 PHE HE1 H 1 7.08 . . 1 . . . . . . . . 2454 1 15 . 1 1 50 50 PHE HE2 H 1 7.08 . . 1 . . . . . . . . 2454 1 16 . 1 1 50 50 PHE HZ H 1 6.78 . . 1 . . . . . . . . 2454 1 17 . 1 1 71 71 TYR HA H 1 4.18 . . 1 . . . . . . . . 2454 1 18 . 1 1 71 71 TYR HB2 H 1 3.3 . . 2 . . . . . . . . 2454 1 19 . 1 1 71 71 TYR HB3 H 1 3.08 . . 2 . . . . . . . . 2454 1 20 . 1 1 71 71 TYR HD1 H 1 6.89 . . 1 . . . . . . . . 2454 1 21 . 1 1 71 71 TYR HD2 H 1 6.89 . . 1 . . . . . . . . 2454 1 22 . 1 1 71 71 TYR HE1 H 1 6.49 . . 1 . . . . . . . . 2454 1 23 . 1 1 71 71 TYR HE2 H 1 6.49 . . 1 . . . . . . . . 2454 1 24 . 1 1 75 75 HIS CD2 C 13 7.19 . . 1 . . . . . . . . 2454 1 25 . 1 1 75 75 HIS CE1 C 13 8.27 . . 1 . . . . . . . . 2454 1 stop_ save_