data_17219 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17219 _Entry.Title ; Structural Insights into the Monosaccharide Specificity of Escherichia coli Rhamnose Mutarotase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-29 _Entry.Accession_date 2010-09-29 _Entry.Last_release_date 2010-11-10 _Entry.Original_release_date 2010-11-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Kyoung-Seok Ryu . . . 17219 2 Jung-In Kim . . . 17219 3 Sung-Jae Cho . . . 17219 4 Dongkyu Park . . . 17219 5 Chankyu Park . . . 17219 6 Hae-Kap Cheong . . . 17219 7 Jie-Oh Lee . . . 17219 8 Byong-Seok Choi . . . 17219 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID 'binding constants' 1 17219 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'binding constants' 2 17219 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 1 . . 2010-11-10 2010-09-29 original author . 17219 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17219 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15876375 _Citation.Full_citation . _Citation.Title 'Structural Insights into the Monosaccharide Specificity of Escherichia coli Rhamnose Mutarotase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 349 _Citation.Journal_issue 1 _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 153 _Citation.Page_last 162 _Citation.Year 2005 _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 Kyoung-Seok Ryu . . . 17219 1 2 Jung-In Kim . . . 17219 1 3 Sung-Jae Cho . . . 17219 1 4 Dongkyu Park . . . 17219 1 5 Chankyu Park . . . 17219 1 6 Hae-Kap Cheong . . . 17219 1 7 Jie-Oh Lee . . . 17219 1 8 Byong-Seok Choi . . . 17219 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17219 _Assembly.ID 1 _Assembly.Name 'YiiL-dimer/RNS complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _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 YiiL_1 1 $YiiL A . yes native no no . . . 17219 1 2 YiiL_2 1 $YiiL B . yes native no no . . . 17219 1 3 RNS 2 $RNS C . yes native no no . . . 17219 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YiiL _Entity.Sf_category entity _Entity.Sf_framecode YiiL _Entity.Entry_ID 17219 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YiiL _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 ; MIRKAFVMQVNPDAHEEYQR RHNPIWPELEAVLKSHGAHN YAIYLDKARNLLFAMVEIES EERWNAVASTDVCQRWWKYM TDVMPANPDNSPVSSELQEV FYLP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID RNS _Entity.Nonpolymer_comp_label $chem_comp_RNS _Entity.Number_of_monomers 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _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 PDB 1X8D . "Crystal Structure Of E. Coli Yiil Protein Containing L- Rhamnose" . . . . . 100.00 104 100.00 100.00 1.51e-70 . . . . 17219 1 2 no DBJ BAB38251 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 104 97.12 99.04 7.43e-69 . . . . 17219 1 3 no DBJ BAE77408 . "L-rhamnose mutarotase [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 104 100.00 100.00 1.51e-70 . . . . 17219 1 4 no DBJ BAG79713 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 104 99.04 99.04 1.01e-69 . . . . 17219 1 5 no DBJ BAI27848 . "L-rhamnose mutarotase [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 104 99.04 99.04 1.01e-69 . . . . 17219 1 6 no DBJ BAI33322 . "L-rhamnose mutarotase [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 104 99.04 99.04 1.01e-69 . . . . 17219 1 7 no EMBL CAQ34253 . "L-rhamnose mutarotase [Escherichia coli BL21(DE3)]" . . . . . 100.00 104 97.12 99.04 1.02e-68 . . . . 17219 1 8 no EMBL CAR00877 . "L-rhamnose mutarotase [Escherichia coli IAI1]" . . . . . 100.00 104 98.08 98.08 6.81e-69 . . . . 17219 1 9 no EMBL CAR05531 . "L-rhamnose mutarotase [Escherichia coli S88]" . . . . . 100.00 104 97.12 97.12 8.47e-68 . . . . 17219 1 10 no EMBL CAR10574 . "L-rhamnose mutarotase [Escherichia coli ED1a]" . . . . . 100.00 104 97.12 97.12 8.47e-68 . . . . 17219 1 11 no EMBL CAR15556 . "L-rhamnose mutarotase [Escherichia coli UMN026]" . . . . . 100.00 104 97.12 99.04 7.43e-69 . . . . 17219 1 12 no GB AAB03034 . "ORF_f104 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 104 100.00 100.00 1.51e-70 . . . . 17219 1 13 no GB AAC76883 . "L-rhamnose mutarotase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 104 100.00 100.00 1.51e-70 . . . . 17219 1 14 no GB AAG59095 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 104 97.12 99.04 7.43e-69 . . . . 17219 1 15 no GB AAN45412 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 104 99.04 99.04 7.60e-70 . . . . 17219 1 16 no GB AAN83278 . "Hypothetical protein yiiL [Escherichia coli CFT073]" . . . . . 100.00 104 97.12 97.12 8.47e-68 . . . . 17219 1 17 no REF NP_312855 . "hypothetical protein ECs4828 [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 104 97.12 99.04 7.43e-69 . . . . 17219 1 18 no REF NP_418337 . "L-rhamnose mutarotase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 104 100.00 100.00 1.51e-70 . . . . 17219 1 19 no REF NP_709705 . "hypothetical protein SF3978 [Shigella flexneri 2a str. 301]" . . . . . 100.00 104 99.04 99.04 7.60e-70 . . . . 17219 1 20 no REF WP_000619469 . "L-rhamnose mutarotase [Escherichia coli]" . . . . . 100.00 104 97.12 100.00 1.60e-69 . . . . 17219 1 21 no REF WP_000619484 . "MULTISPECIES: L-rhamnose mutarotase [Escherichia]" . . . . . 100.00 104 98.08 99.04 2.81e-69 . . . . 17219 1 22 no SP A1AI78 . "RecName: Full=L-rhamnose mutarotase; AltName: Full=Rhamnose 1-epimerase; AltName: Full=Type-3 mutarotase" . . . . . 100.00 104 97.12 97.12 8.47e-68 . . . . 17219 1 23 no SP A7ZUB2 . "RecName: Full=L-rhamnose mutarotase; AltName: Full=Rhamnose 1-epimerase; AltName: Full=Type-3 mutarotase" . . . . . 100.00 104 99.04 99.04 1.01e-69 . . . . 17219 1 24 no SP A8A704 . "RecName: Full=L-rhamnose mutarotase; AltName: Full=Rhamnose 1-epimerase; AltName: Full=Type-3 mutarotase" . . . . . 100.00 104 100.00 100.00 1.51e-70 . . . . 17219 1 25 no SP B1IVH7 . "RecName: Full=L-rhamnose mutarotase; AltName: Full=Rhamnose 1-epimerase; AltName: Full=Type-3 mutarotase" . . . . . 100.00 104 100.00 100.00 1.51e-70 . . . . 17219 1 26 no SP B1LMU1 . "RecName: Full=L-rhamnose mutarotase; AltName: Full=Rhamnose 1-epimerase; AltName: Full=Type-3 mutarotase" . . . . . 100.00 104 99.04 99.04 1.01e-69 . . . . 17219 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 . MET . 17219 1 2 . ILE . 17219 1 3 . ARG . 17219 1 4 . LYS . 17219 1 5 . ALA . 17219 1 6 . PHE . 17219 1 7 . VAL . 17219 1 8 . MET . 17219 1 9 . GLN . 17219 1 10 . VAL . 17219 1 11 . ASN . 17219 1 12 . PRO . 17219 1 13 . ASP . 17219 1 14 . ALA . 17219 1 15 . HIS . 17219 1 16 . GLU . 17219 1 17 . GLU . 17219 1 18 . TYR . 17219 1 19 . GLN . 17219 1 20 . ARG . 17219 1 21 . ARG . 17219 1 22 . HIS . 17219 1 23 . ASN . 17219 1 24 . PRO . 17219 1 25 . ILE . 17219 1 26 . TRP . 17219 1 27 . PRO . 17219 1 28 . GLU . 17219 1 29 . LEU . 17219 1 30 . GLU . 17219 1 31 . ALA . 17219 1 32 . VAL . 17219 1 33 . LEU . 17219 1 34 . LYS . 17219 1 35 . SER . 17219 1 36 . HIS . 17219 1 37 . GLY . 17219 1 38 . ALA . 17219 1 39 . HIS . 17219 1 40 . ASN . 17219 1 41 . TYR . 17219 1 42 . ALA . 17219 1 43 . ILE . 17219 1 44 . TYR . 17219 1 45 . LEU . 17219 1 46 . ASP . 17219 1 47 . LYS . 17219 1 48 . ALA . 17219 1 49 . ARG . 17219 1 50 . ASN . 17219 1 51 . LEU . 17219 1 52 . LEU . 17219 1 53 . PHE . 17219 1 54 . ALA . 17219 1 55 . MET . 17219 1 56 . VAL . 17219 1 57 . GLU . 17219 1 58 . ILE . 17219 1 59 . GLU . 17219 1 60 . SER . 17219 1 61 . GLU . 17219 1 62 . GLU . 17219 1 63 . ARG . 17219 1 64 . TRP . 17219 1 65 . ASN . 17219 1 66 . ALA . 17219 1 67 . VAL . 17219 1 68 . ALA . 17219 1 69 . SER . 17219 1 70 . THR . 17219 1 71 . ASP . 17219 1 72 . VAL . 17219 1 73 . CYS . 17219 1 74 . GLN . 17219 1 75 . ARG . 17219 1 76 . TRP . 17219 1 77 . TRP . 17219 1 78 . LYS . 17219 1 79 . TYR . 17219 1 80 . MET . 17219 1 81 . THR . 17219 1 82 . ASP . 17219 1 83 . VAL . 17219 1 84 . MET . 17219 1 85 . PRO . 17219 1 86 . ALA . 17219 1 87 . ASN . 17219 1 88 . PRO . 17219 1 89 . ASP . 17219 1 90 . ASN . 17219 1 91 . SER . 17219 1 92 . PRO . 17219 1 93 . VAL . 17219 1 94 . SER . 17219 1 95 . SER . 17219 1 96 . GLU . 17219 1 97 . LEU . 17219 1 98 . GLN . 17219 1 99 . GLU . 17219 1 100 . VAL . 17219 1 101 . PHE . 17219 1 102 . TYR . 17219 1 103 . LEU . 17219 1 104 . PRO . 17219 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 . MET 1 1 17219 1 . ILE 2 2 17219 1 . ARG 3 3 17219 1 . LYS 4 4 17219 1 . ALA 5 5 17219 1 . PHE 6 6 17219 1 . VAL 7 7 17219 1 . MET 8 8 17219 1 . GLN 9 9 17219 1 . VAL 10 10 17219 1 . ASN 11 11 17219 1 . PRO 12 12 17219 1 . ASP 13 13 17219 1 . ALA 14 14 17219 1 . HIS 15 15 17219 1 . GLU 16 16 17219 1 . GLU 17 17 17219 1 . TYR 18 18 17219 1 . GLN 19 19 17219 1 . ARG 20 20 17219 1 . ARG 21 21 17219 1 . HIS 22 22 17219 1 . ASN 23 23 17219 1 . PRO 24 24 17219 1 . ILE 25 25 17219 1 . TRP 26 26 17219 1 . PRO 27 27 17219 1 . GLU 28 28 17219 1 . LEU 29 29 17219 1 . GLU 30 30 17219 1 . ALA 31 31 17219 1 . VAL 32 32 17219 1 . LEU 33 33 17219 1 . LYS 34 34 17219 1 . SER 35 35 17219 1 . HIS 36 36 17219 1 . GLY 37 37 17219 1 . ALA 38 38 17219 1 . HIS 39 39 17219 1 . ASN 40 40 17219 1 . TYR 41 41 17219 1 . ALA 42 42 17219 1 . ILE 43 43 17219 1 . TYR 44 44 17219 1 . LEU 45 45 17219 1 . ASP 46 46 17219 1 . LYS 47 47 17219 1 . ALA 48 48 17219 1 . ARG 49 49 17219 1 . ASN 50 50 17219 1 . LEU 51 51 17219 1 . LEU 52 52 17219 1 . PHE 53 53 17219 1 . ALA 54 54 17219 1 . MET 55 55 17219 1 . VAL 56 56 17219 1 . GLU 57 57 17219 1 . ILE 58 58 17219 1 . GLU 59 59 17219 1 . SER 60 60 17219 1 . GLU 61 61 17219 1 . GLU 62 62 17219 1 . ARG 63 63 17219 1 . TRP 64 64 17219 1 . ASN 65 65 17219 1 . ALA 66 66 17219 1 . VAL 67 67 17219 1 . ALA 68 68 17219 1 . SER 69 69 17219 1 . THR 70 70 17219 1 . ASP 71 71 17219 1 . VAL 72 72 17219 1 . CYS 73 73 17219 1 . GLN 74 74 17219 1 . ARG 75 75 17219 1 . TRP 76 76 17219 1 . TRP 77 77 17219 1 . LYS 78 78 17219 1 . TYR 79 79 17219 1 . MET 80 80 17219 1 . THR 81 81 17219 1 . ASP 82 82 17219 1 . VAL 83 83 17219 1 . MET 84 84 17219 1 . PRO 85 85 17219 1 . ALA 86 86 17219 1 . ASN 87 87 17219 1 . PRO 88 88 17219 1 . ASP 89 89 17219 1 . ASN 90 90 17219 1 . SER 91 91 17219 1 . PRO 92 92 17219 1 . VAL 93 93 17219 1 . SER 94 94 17219 1 . SER 95 95 17219 1 . GLU 96 96 17219 1 . LEU 97 97 17219 1 . GLN 98 98 17219 1 . GLU 99 99 17219 1 . VAL 100 100 17219 1 . PHE 101 101 17219 1 . TYR 102 102 17219 1 . LEU 103 103 17219 1 . PRO 104 104 17219 1 stop_ save_ save_RNS _Entity.Sf_category entity _Entity.Sf_framecode RNS _Entity.Entry_ID 17219 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNS _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID RNS _Entity.Nonpolymer_comp_label $chem_comp_RNS _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . 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 . RNS . 17219 2 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 17219 _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 $YiiL . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17219 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 17219 _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 $YiiL . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET21b . . . . . . 17219 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_RNS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_RNS _Chem_comp.Entry_ID 17219 _Chem_comp.ID RNS _Chem_comp.Provenance . _Chem_comp.Name L-RHAMNOSE _Chem_comp.Type L-SACCHARIDE _Chem_comp.BMRB_code . _Chem_comp.PDB_code RNS _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-11-19 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code RNS _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H12 O5' _Chem_comp.Formula_weight 164.156 _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1DE6 _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 14:16:28 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C(C(C(C=O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 17219 RNS C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17219 RNS C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O SMILES_CANONICAL CACTVS 3.341 17219 RNS C[CH](O)[CH](O)[CH](O)[CH](O)C=O SMILES CACTVS 3.341 17219 RNS InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4-,5-,6-/m0/s1 InChI InChI 1.03 17219 RNS O=CC(O)C(O)C(O)C(O)C SMILES ACDLabs 10.04 17219 RNS PNNNRSAQSRJVSB-BXKVDMCESA-N InChIKey InChI 1.03 17219 RNS stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17219 RNS 6-deoxy-L-mannose 'SYSTEMATIC NAME' ACDLabs 10.04 17219 RNS stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . no no . . . . 28.102 . 11.523 . 26.809 . 0.320 0.410 -2.749 1 . 17219 RNS C2 . C2 . . C . . R 0 . . . . no no . . . . 27.852 . 10.008 . 27.184 . -0.495 0.064 -1.530 2 . 17219 RNS C3 . C3 . . C . . R 0 . . . . no no . . . . 28.211 . 9.071 . 26.055 . 0.368 0.221 -0.277 3 . 17219 RNS C4 . C4 . . C . . S 0 . . . . no no . . . . 29.487 . 9.519 . 25.353 . -0.460 -0.130 0.959 4 . 17219 RNS C5 . C5 . . C . . S 0 . . . . no no . . . . 30.142 . 8.408 . 24.588 . 0.403 0.026 2.212 5 . 17219 RNS C6 . C6 . . C . . N 0 . . . . no no . . . . 31.032 . 8.891 . 23.451 . -0.424 -0.325 3.450 6 . 17219 RNS O1 . O1 . . O . . N 0 . . . . no no . . . . 28.526 . 12.372 . 27.606 . 0.494 -0.414 -3.614 7 . 17219 RNS O2 . O2 . . O . . N 0 . . . . no no . . . . 28.611 . 9.651 . 28.340 . -1.621 0.941 -1.446 8 . 17219 RNS O3 . O3 . . O . . N 0 . . . . no no . . . . 28.369 . 7.775 . 26.642 . 1.493 -0.655 -0.362 9 . 17219 RNS O4 . O4 . . O . . N 0 . . . . no no . . . . 30.395 . 10.022 . 26.342 . -0.915 -1.481 0.860 10 . 17219 RNS O5 . O5 . . O . . N 0 . . . . no no . . . . 29.140 . 7.392 . 24.215 . 0.858 1.377 2.312 11 . 17219 RNS H11 . H11 . . H . . N 0 . . . . no no . . . . 27.960 . 12.063 . 25.857 . 0.749 1.396 -2.850 12 . 17219 RNS H2 . H2 . . H . . N 0 . . . . no no . . . . 26.761 . 9.904 . 27.390 . -0.842 -0.966 -1.606 13 . 17219 RNS H3 . H3 . . H . . N 0 . . . . no no . . . . 27.415 . 9.060 . 25.274 . 0.715 1.251 -0.202 14 . 17219 RNS H4 . H4 . . H . . N 0 . . . . no no . . . . 29.218 . 10.309 . 24.613 . -1.318 0.538 1.024 15 . 17219 RNS H5 . H5 . . H . . N 0 . . . . no no . . . . 30.872 . 7.900 . 25.260 . 1.262 -0.642 2.148 16 . 17219 RNS H61 . H61 . . H . . N 0 . . . . no no . . . . 31.519 . 8.064 . 22.882 . 0.190 -0.213 4.343 17 . 17219 RNS H62 . H62 . . H . . N 0 . . . . no no . . . . 30.464 . 9.560 . 22.763 . -1.283 0.343 3.514 18 . 17219 RNS H63 . H63 . . H . . N 0 . . . . no no . . . . 31.794 . 9.612 . 23.827 . -0.771 -1.355 3.374 19 . 17219 RNS HO2 . HO2 . . H . . N 0 . . . . no no . . . . 28.460 . 8.740 . 28.565 . -1.270 1.839 -1.381 20 . 17219 RNS HO3 . HO3 . . H . . N 0 . . . . no no . . . . 28.594 . 7.185 . 25.931 . 1.143 -1.554 -0.427 21 . 17219 RNS HO4 . HO4 . . H . . N 0 . . . . no no . . . . 31.190 . 10.301 . 25.904 . -0.126 -2.038 0.805 22 . 17219 RNS HO5 . HO5 . . H . . N 0 . . . . no no . . . . 29.555 . 6.688 . 23.730 . 0.070 1.934 2.366 23 . 17219 RNS stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 no N 1 . 17219 RNS 2 . DOUB C1 O1 no N 2 . 17219 RNS 3 . SING C1 H11 no N 3 . 17219 RNS 4 . SING C2 C3 no N 4 . 17219 RNS 5 . SING C2 O2 no N 5 . 17219 RNS 6 . SING C2 H2 no N 6 . 17219 RNS 7 . SING C3 C4 no N 7 . 17219 RNS 8 . SING C3 O3 no N 8 . 17219 RNS 9 . SING C3 H3 no N 9 . 17219 RNS 10 . SING C4 C5 no N 10 . 17219 RNS 11 . SING C4 O4 no N 11 . 17219 RNS 12 . SING C4 H4 no N 12 . 17219 RNS 13 . SING C5 C6 no N 13 . 17219 RNS 14 . SING C5 O5 no N 14 . 17219 RNS 15 . SING C5 H5 no N 15 . 17219 RNS 16 . SING C6 H61 no N 16 . 17219 RNS 17 . SING C6 H62 no N 17 . 17219 RNS 18 . SING C6 H63 no N 18 . 17219 RNS 19 . SING O2 HO2 no N 19 . 17219 RNS 20 . SING O3 HO3 no N 20 . 17219 RNS 21 . SING O4 HO4 no N 21 . 17219 RNS 22 . SING O5 HO5 no N 22 . 17219 RNS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17219 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YiiL [U-15N] . . 1 $YiiL . . 1 . . mM . . . . 17219 1 2 RNS 'natural abundance' . . 2 $RNS . . . 0 100 mM . . . . 17219 1 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17219 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17219 _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 7.5 . pH 17219 1 pressure ambient . atm 17219 1 temperature 298 . K 17219 1 stop_ save_ ############################ # Computer software used # ############################ save_software _Software.Sf_category software _Software.Sf_framecode software _Software.Entry_ID 17219 _Software.ID 1 _Software.Name software _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID na . . 17219 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID na 17219 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17219 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17219 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Unity Inova' . 600 . . . 17219 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 17219 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17219 1 stop_ save_ save_binding_data _Binding_value_list.Sf_category binding_data _Binding_value_list.Sf_framecode binding_data _Binding_value_list.Entry_ID 17219 _Binding_value_list.ID 1 _Binding_value_list.Sample_condition_list_ID 1 _Binding_value_list.Sample_condition_list_label $sample_conditions_1 _Binding_value_list.Details . _Binding_value_list.Text_data_format . _Binding_value_list.Text_data . loop_ _Binding_experiment.Experiment_ID _Binding_experiment.Experiment_name _Binding_experiment.Sample_ID _Binding_experiment.Sample_label _Binding_experiment.Sample_state _Binding_experiment.Entry_ID _Binding_experiment.Binding_value_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 17219 1 stop_ loop_ _Binding_result.ID _Binding_result.Experiment_ID _Binding_result.Assembly_ID _Binding_result.Atm_obs_assembly_atom_ID _Binding_result.Atm_obs_entity_assembly_ID _Binding_result.Atm_obs_entity_ID _Binding_result.Atm_obs_comp_index_ID _Binding_result.Atm_obs_seq_ID _Binding_result.Atm_obs_comp_ID _Binding_result.Atm_obs_atom_ID _Binding_result.Atm_obs_atom_type _Binding_result.Atm_obs_atom_isotope_number _Binding_result.Resonance_ID _Binding_result.Atm_obs_auth_entity_assembly_ID _Binding_result.Atm_obs_auth_seq_ID _Binding_result.Atm_obs_auth_comp_ID _Binding_result.Atm_obs_auth_atom_ID _Binding_result.Expt_observed_param _Binding_result.Val_type _Binding_result.Val _Binding_result.Val_err _Binding_result.Val_units _Binding_result.Entry_ID _Binding_result.Binding_value_list_ID 1 1 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kdmajor 6.16 0.25 mM 17219 1 2 1 1 . 1 1 . . . . . . . . . . . 'chemical shifts' Kdminor 5.91 0.32 mM 17219 1 stop_ loop_ _Binding_partners.Binding_result_ID _Binding_partners.Assembly_ID _Binding_partners.Entity_assembly_ID _Binding_partners.Entity_assembly_name _Binding_partners.Entity_ID _Binding_partners.Entity_label _Binding_partners.Entry_ID _Binding_partners.Binding_value_list_ID 1 1 1 YiiL 1 $YiiL 17219 1 1 1 2 RNS 2 $RNS 17219 1 1 1 3 YiiL 1 $YiiL 17219 1 2 1 1 YiiL 1 $YiiL 17219 1 2 1 2 RNS 2 $RNS 17219 1 2 1 3 YiiL 1 $YiiL 17219 1 stop_ save_