data_17219 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Insights into the Monosaccharide Specificity of Escherichia coli Rhamnose Mutarotase ; _BMRB_accession_number 17219 _BMRB_flat_file_name bmr17219.str _Entry_type original _Submission_date 2010-09-29 _Accession_date 2010-09-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ryu Kyoung-Seok . . 2 Kim Jung-In . . 3 Cho Sung-Jae . . 4 Park Dongkyu . . 5 Park Chankyu . . 6 Cheong Hae-Kap . . 7 Lee Jie-Oh . . 8 Choi Byong-Seok . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count 'binding constants' 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-10 original author . stop_ _Original_release_date 2010-11-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Insights into the Monosaccharide Specificity of Escherichia coli Rhamnose Mutarotase' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15876375 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ryu Kyoung-Seok . . 2 Kim Jung-In . . 3 Cho Sung-Jae . . 4 Park Dongkyu . . 5 Park Chankyu . . 6 Cheong Hae-Kap . . 7 Lee Jie-Oh . . 8 Choi Byong-Seok . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 349 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 153 _Page_last 162 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'YiiL-dimer/RNS complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YiiL_1 $YiiL YiiL_2 $YiiL RNS $RNS stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_YiiL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YiiL _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; MIRKAFVMQVNPDAHEEYQR RHNPIWPELEAVLKSHGAHN YAIYLDKARNLLFAMVEIES EERWNAVASTDVCQRWWKYM TDVMPANPDNSPVSSELQEV FYLP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 ARG 4 LYS 5 ALA 6 PHE 7 VAL 8 MET 9 GLN 10 VAL 11 ASN 12 PRO 13 ASP 14 ALA 15 HIS 16 GLU 17 GLU 18 TYR 19 GLN 20 ARG 21 ARG 22 HIS 23 ASN 24 PRO 25 ILE 26 TRP 27 PRO 28 GLU 29 LEU 30 GLU 31 ALA 32 VAL 33 LEU 34 LYS 35 SER 36 HIS 37 GLY 38 ALA 39 HIS 40 ASN 41 TYR 42 ALA 43 ILE 44 TYR 45 LEU 46 ASP 47 LYS 48 ALA 49 ARG 50 ASN 51 LEU 52 LEU 53 PHE 54 ALA 55 MET 56 VAL 57 GLU 58 ILE 59 GLU 60 SER 61 GLU 62 GLU 63 ARG 64 TRP 65 ASN 66 ALA 67 VAL 68 ALA 69 SER 70 THR 71 ASP 72 VAL 73 CYS 74 GLN 75 ARG 76 TRP 77 TRP 78 LYS 79 TYR 80 MET 81 THR 82 ASP 83 VAL 84 MET 85 PRO 86 ALA 87 ASN 88 PRO 89 ASP 90 ASN 91 SER 92 PRO 93 VAL 94 SER 95 SER 96 GLU 97 LEU 98 GLN 99 GLU 100 VAL 101 PHE 102 TYR 103 LEU 104 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 PDB 1X8D "Crystal Structure Of E. Coli Yiil Protein Containing L- Rhamnose" 100.00 104 100.00 100.00 1.19e-70 DBJ BAB38251 "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" 100.00 104 97.12 99.04 5.86e-69 DBJ BAE77408 "L-rhamnose mutarotase [Escherichia coli str. K12 substr. W3110]" 100.00 104 100.00 100.00 1.19e-70 DBJ BAG79713 "conserved hypothetical protein [Escherichia coli SE11]" 100.00 104 99.04 99.04 7.95e-70 DBJ BAI27848 "L-rhamnose mutarotase [Escherichia coli O26:H11 str. 11368]" 100.00 104 99.04 99.04 7.95e-70 DBJ BAI33322 "L-rhamnose mutarotase [Escherichia coli O103:H2 str. 12009]" 100.00 104 99.04 99.04 7.95e-70 EMBL CAQ34253 "L-rhamnose mutarotase [Escherichia coli BL21(DE3)]" 100.00 104 97.12 99.04 8.04e-69 EMBL CAR00877 "L-rhamnose mutarotase [Escherichia coli IAI1]" 100.00 104 98.08 98.08 5.37e-69 EMBL CAR05531 "L-rhamnose mutarotase [Escherichia coli S88]" 100.00 104 97.12 97.12 6.67e-68 EMBL CAR10574 "L-rhamnose mutarotase [Escherichia coli ED1a]" 100.00 104 97.12 97.12 6.67e-68 EMBL CAR15556 "L-rhamnose mutarotase [Escherichia coli UMN026]" 100.00 104 97.12 99.04 5.86e-69 GB AAB03034 "ORF_f104 [Escherichia coli str. K-12 substr. MG1655]" 100.00 104 100.00 100.00 1.19e-70 GB AAC76883 "L-rhamnose mutarotase [Escherichia coli str. K-12 substr. MG1655]" 100.00 104 100.00 100.00 1.19e-70 GB AAG59095 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 100.00 104 97.12 99.04 5.86e-69 GB AAN45412 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 100.00 104 99.04 99.04 5.99e-70 GB AAN83278 "Hypothetical protein yiiL [Escherichia coli CFT073]" 100.00 104 97.12 97.12 6.67e-68 REF NP_312855 "hypothetical protein ECs4828 [Escherichia coli O157:H7 str. Sakai]" 100.00 104 97.12 99.04 5.86e-69 REF NP_418337 "L-rhamnose mutarotase [Escherichia coli str. K-12 substr. MG1655]" 100.00 104 100.00 100.00 1.19e-70 REF NP_709705 "hypothetical protein SF3978 [Shigella flexneri 2a str. 301]" 100.00 104 99.04 99.04 5.99e-70 REF WP_000619469 "L-rhamnose mutarotase [Escherichia coli]" 100.00 104 97.12 100.00 1.26e-69 REF WP_000619484 "MULTISPECIES: L-rhamnose mutarotase [Escherichia]" 100.00 104 98.08 99.04 2.22e-69 SP A1AI78 "RecName: Full=L-rhamnose mutarotase; AltName: Full=Rhamnose 1-epimerase; AltName: Full=Type-3 mutarotase" 100.00 104 97.12 97.12 6.67e-68 SP A7ZUB2 "RecName: Full=L-rhamnose mutarotase; AltName: Full=Rhamnose 1-epimerase; AltName: Full=Type-3 mutarotase" 100.00 104 99.04 99.04 7.95e-70 SP A8A704 "RecName: Full=L-rhamnose mutarotase; AltName: Full=Rhamnose 1-epimerase; AltName: Full=Type-3 mutarotase" 100.00 104 100.00 100.00 1.19e-70 SP B1IVH7 "RecName: Full=L-rhamnose mutarotase; AltName: Full=Rhamnose 1-epimerase; AltName: Full=Type-3 mutarotase" 100.00 104 100.00 100.00 1.19e-70 SP B1LMU1 "RecName: Full=L-rhamnose mutarotase; AltName: Full=Rhamnose 1-epimerase; AltName: Full=Type-3 mutarotase" 100.00 104 99.04 99.04 7.95e-70 stop_ save_ ############# # Ligands # ############# save_RNS _Saveframe_category ligand _Mol_type "non-polymer (L-SACCHARIDE)" _Name_common "RNS (L-RHAMNOSE)" _BMRB_code . _PDB_code RNS _Molecular_mass 164.156 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _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 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? O3 O3 O . 0 . ? O4 O4 O . 0 . ? O5 O5 O . 0 . ? H11 H11 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H63 H63 H . 0 . ? HO2 HO2 H . 0 . ? HO3 HO3 H . 0 . ? HO4 HO4 H . 0 . ? HO5 HO5 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? DOUB C1 O1 ? ? SING C1 H11 ? ? SING C2 C3 ? ? SING C2 O2 ? ? SING C2 H2 ? ? SING C3 C4 ? ? SING C3 O3 ? ? SING C3 H3 ? ? SING C4 C5 ? ? SING C4 O4 ? ? SING C4 H4 ? ? SING C5 C6 ? ? SING C5 O5 ? ? SING C5 H5 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C6 H63 ? ? SING O2 HO2 ? ? SING O3 HO3 ? ? SING O4 HO4 ? ? SING O5 HO5 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YiiL 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $YiiL 'recombinant technology' . Escherichia coli BL21 DE3 pET21b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $YiiL 1 mM . . [U-15N] $RNS . mM 0 100 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software _Saveframe_category software _Name software _Version . loop_ _Vendor _Address _Electronic_address na . . stop_ loop_ _Task na stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Inova' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure ambient . atm temperature 298 . K stop_ save_