data_1624 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Secondary structure of the phosphocarrier protein III(Glc), a signal-transducing protein from Escherichia coli, determined by heteronuclear three-dimensional NMR spectroscopy ; _BMRB_accession_number 1624 _BMRB_flat_file_name bmr1624.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 Pelton J. G. . 2 Torchia Dennis A. . 3 Meadow Norman D. . 4 Wong Cing-Yuen . . 5 Roseman Saul . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 13 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' 1996-04-13 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 ; Pelton, J.G., Torchia, Dennis A., Meadow, Norman D., Wong, Cing-Yuen, Roseman, Saul, "Secondary structure of the phosphocarrier protein III(Glc), a signal-transducing protein from Escherichia coli, determined by heteronuclear three-dimensional NMR spectroscopy," Proc. Natl. Acad. Sci. U.S.A. 88, 3479-3483 (1991). ; _Citation_title ; Secondary structure of the phosphocarrier protein III(Glc), a signal-transducing protein from Escherichia coli, determined by heteronuclear three-dimensional NMR 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 Pelton J. G. . 2 Torchia Dennis A. . 3 Meadow Norman D. . 4 Wong Cing-Yuen . . 5 Roseman Saul . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 88 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3479 _Page_last 3483 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_glucose_permease _Saveframe_category molecular_system _Mol_system_name 'glucose permease' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'glucose permease' $glucose_permease stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_glucose_permease _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'glucose permease' _Name_variant 'enzyme IIIGlc' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 168 _Mol_residue_sequence ; GLFDKLKSLVSDDKKDTGTI EIIAPLSGEIVNIEDVPDVV FAEKIVGDGIAIKPTGNKMV APVDGTIGKIFETNHAFSIE SDSGVELFVHFGIDTVELKG EGFKRIAEEGQRVKVGDTVI EFDLPLLEEKAKSTLTPVVI SNMDEIKELIKLSGSVTVGE TPVIRIKK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 LEU 3 PHE 4 ASP 5 LYS 6 LEU 7 LYS 8 SER 9 LEU 10 VAL 11 SER 12 ASP 13 ASP 14 LYS 15 LYS 16 ASP 17 THR 18 GLY 19 THR 20 ILE 21 GLU 22 ILE 23 ILE 24 ALA 25 PRO 26 LEU 27 SER 28 GLY 29 GLU 30 ILE 31 VAL 32 ASN 33 ILE 34 GLU 35 ASP 36 VAL 37 PRO 38 ASP 39 VAL 40 VAL 41 PHE 42 ALA 43 GLU 44 LYS 45 ILE 46 VAL 47 GLY 48 ASP 49 GLY 50 ILE 51 ALA 52 ILE 53 LYS 54 PRO 55 THR 56 GLY 57 ASN 58 LYS 59 MET 60 VAL 61 ALA 62 PRO 63 VAL 64 ASP 65 GLY 66 THR 67 ILE 68 GLY 69 LYS 70 ILE 71 PHE 72 GLU 73 THR 74 ASN 75 HIS 76 ALA 77 PHE 78 SER 79 ILE 80 GLU 81 SER 82 ASP 83 SER 84 GLY 85 VAL 86 GLU 87 LEU 88 PHE 89 VAL 90 HIS 91 PHE 92 GLY 93 ILE 94 ASP 95 THR 96 VAL 97 GLU 98 LEU 99 LYS 100 GLY 101 GLU 102 GLY 103 PHE 104 LYS 105 ARG 106 ILE 107 ALA 108 GLU 109 GLU 110 GLY 111 GLN 112 ARG 113 VAL 114 LYS 115 VAL 116 GLY 117 ASP 118 THR 119 VAL 120 ILE 121 GLU 122 PHE 123 ASP 124 LEU 125 PRO 126 LEU 127 LEU 128 GLU 129 GLU 130 LYS 131 ALA 132 LYS 133 SER 134 THR 135 LEU 136 THR 137 PRO 138 VAL 139 VAL 140 ILE 141 SER 142 ASN 143 MET 144 ASP 145 GLU 146 ILE 147 LYS 148 GLU 149 LEU 150 ILE 151 LYS 152 LEU 153 SER 154 GLY 155 SER 156 VAL 157 THR 158 VAL 159 GLY 160 GLU 161 THR 162 PRO 163 VAL 164 ILE 165 ARG 166 ILE 167 LYS 168 LYS 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 1F3G "Three-Dimensional Structure Of The Escherichia Coli Phosphocarrier Protein Iii Glc" 95.83 161 100.00 100.00 3.38e-104 PDB 1F3Z "Iiaglc-Zn Complex" 95.83 161 100.00 100.00 3.38e-104 PDB 1GGR "Complex Of Enzyme Iiaglc And The Histidine-Containing Phosphocarrier Protein Hpr From Escherichia Coli Nmr, Restrained Regulari" 100.00 168 100.00 100.00 2.13e-109 PDB 1GLA "Structure Of The Regulatory Complex Of Escherichia Coli Iiiglc With Glycerol Kinase" 100.00 168 100.00 100.00 2.13e-109 PDB 1GLB "Structure Of The Regulatory Complex Of Escherichia Coli Iiiglc With Glycerol Kinase" 100.00 168 100.00 100.00 2.13e-109 PDB 1GLC "Cation Promoted Association (Cpa) Of A Regulatory And Target Protein Is Controlled By Phosphorylation" 100.00 168 100.00 100.00 2.13e-109 PDB 1GLD "Cation Promoted Association (Cpa) Of A Regulatory And Target Protein Is Controlled By Phosphorylation" 100.00 168 100.00 100.00 2.13e-109 PDB 1GLE "Cation Promoted Association (Cpa) Of A Regulatory And Target Protein Is Controlled By Phosphorylation" 100.00 168 100.00 100.00 2.13e-109 PDB 1O2F "Complex Of Enzyme Iiaglc And Iibglc Phosphocarrier Protein Hpr From Escherichia Coli Nmr, Restrained Regularized Mean Structure" 100.00 168 100.00 100.00 2.13e-109 PDB 2F3G "Iiaglc Crystal Form Iii" 100.00 168 100.00 100.00 2.13e-109 PDB 2MP0 "Protein Phosphorylation Upon A Fleeting Encounter" 100.00 168 100.00 100.00 2.13e-109 PDB 4JBW "Crystal Structure Of E. Coli Maltose Transporter Malfgk2 In Complex With Its Regulatory Protein Eiiaglc" 100.00 172 100.00 100.00 1.08e-109 DBJ BAA16291 "glucose-specific enzyme IIA component of PTS [Escherichia coli str. K12 substr. W3110]" 100.00 169 100.00 100.00 1.98e-109 DBJ BAB36712 "glucose-specific PTS system IIA component [Escherichia coli O157:H7 str. Sakai]" 100.00 169 99.40 99.40 9.85e-109 DBJ BAG78232 "PTS system glucose-specific IIA component [Escherichia coli SE11]" 100.00 169 100.00 100.00 1.98e-109 DBJ BAH64558 "glucose-specific PTS family enzyme IIA component [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 100.00 169 98.21 99.40 5.91e-108 DBJ BAI26670 "glucose-specific enzyme IIA component protein component of PTS [Escherichia coli O26:H11 str. 11368]" 100.00 169 100.00 100.00 1.98e-109 EMBL CAA28837 "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 169 98.21 99.40 5.91e-108 EMBL CAD07665 "pts system, glucose-specific IIA component [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 169 98.21 99.40 5.91e-108 EMBL CAP76889 "glucose-specific phosphotransferase enzyme IIA component [Escherichia coli LF82]" 100.00 169 100.00 100.00 1.98e-109 EMBL CAQ32795 "crr, subunit of enzyme II [glc], trehalose PTS permease, EIIBCMalX and N-acetylmuramic acid PTS permease [Escherichia coli BL21" 100.00 169 100.00 100.00 1.98e-109 EMBL CAQ88295 "glucose-specific enzyme IIA component of PTS [Escherichia fergusonii ATCC 35469]" 100.00 169 100.00 100.00 1.98e-109 GB AAA23602 "PTS enzyme III glc [Escherichia coli]" 100.00 169 100.00 100.00 1.98e-109 GB AAA23603 "PTS enzyme III glc [Escherichia coli]" 100.00 169 100.00 100.00 1.98e-109 GB AAA23604 "PTS enzyme III glc [Escherichia coli]" 100.00 169 100.00 100.00 1.98e-109 GB AAA23605 "PTS enzyme III glc [Escherichia coli]" 100.00 169 100.00 100.00 1.98e-109 GB AAA23606 "PTS enzyme III glc [Escherichia coli]" 100.00 169 100.00 100.00 1.98e-109 PIR AG0810 "pts system, glucose-specific IIA component [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 169 98.21 99.40 5.91e-108 REF NP_311316 "PTS system glucose-specific transporter [Escherichia coli O157:H7 str. Sakai]" 100.00 169 99.40 99.40 9.85e-109 REF NP_416912 "glucose-specific enzyme IIA component of PTS [Escherichia coli str. K-12 substr. MG1655]" 100.00 169 100.00 100.00 1.98e-109 REF NP_456969 "PTS system glucose-specific transporter subunit IIA [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 169 98.21 99.40 5.91e-108 REF NP_461368 "PTS system glucose-specific transporter subunit IIA [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 169 98.21 99.40 5.91e-108 REF NP_708272 "PTS system glucose-specific transporter subunit IIA [Shigella flexneri 2a str. 301]" 100.00 169 100.00 100.00 1.98e-109 SP P0A283 "RecName: Full=Glucose-specific phosphotransferase enzyme IIA component; AltName: Full=EIIA-Glc; AltName: Full=EIII-Glc; AltName" 100.00 169 98.21 99.40 5.91e-108 SP P0A284 "RecName: Full=Glucose-specific phosphotransferase enzyme IIA component; AltName: Full=EIIA-Glc; AltName: Full=EIII-Glc; AltName" 100.00 169 98.21 99.40 5.91e-108 SP P69783 "RecName: Full=Glucose-specific phosphotransferase enzyme IIA component; AltName: Full=EIIA-Glc; AltName: Full=EIII-Glc; AltName" 100.00 169 100.00 100.00 1.98e-109 SP P69784 "RecName: Full=Glucose-specific phosphotransferase enzyme IIA component; AltName: Full=EIIA-Glc; AltName: Full=EIII-Glc; AltName" 100.00 169 100.00 100.00 1.98e-109 SP P69785 "RecName: Full=Glucose-specific phosphotransferase enzyme IIA component; AltName: Full=EIIA-Glc; AltName: Full=EIII-Glc; AltName" 100.00 169 100.00 100.00 1.98e-109 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 $glucose_permease 'E. coli' 562 Bacteria . Escherichia coli 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 $glucose_permease 'not available' . Escherichia coli BL21-(DE3) . 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 6.4 . na temperature 309 . 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 H2O/HDO H . . ppm 4.67 . . . . . $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 'glucose permease' _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 . 53 LYS HA H 4.7 . 1 2 . 79 ILE H H 9.02 . 1 3 . 80 GLU HA H 5.12 . 1 4 . 86 GLU HA H 5.1 . 1 5 . 87 LEU H H 8.99 . 1 6 . 89 VAL HA H 4.37 . 1 7 . 90 HIS HA H 4.33 . 1 8 . 138 VAL HA H 4.33 . 1 9 . 143 MET HA H 4.43 . 1 10 . 144 ASP HA H 4.48 . 1 11 . 145 GLU HA H 4.44 . 1 12 . 146 ILE HA H 4.42 . 1 13 . 147 LYS HA H 4.48 . 1 stop_ save_