data_15967 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural characterization of IscU and its interaction with HscB ; _BMRB_accession_number 15967 _BMRB_flat_file_name bmr15967.str _Entry_type original _Submission_date 2008-09-28 _Accession_date 2008-09-28 _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 Kim 'Jin Hae' . . 2 Fuzery Anna K. . 3 Marco Tonelli . . 4 William Westler M. . 5 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 77 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-01 update BMRB 'complete entry citation' 2008-09-28 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 7432 'Chemical shifts, T1, T2, and NOE of IscU(D39A)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and Dynamics of the Iron-Sulfur Cluster Assembly Scaffold Protein IscU and Its Interaction with the Cochaperone HscB.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19492851 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim 'Jin Hae' . . 2 Fuzery Anna K. . 3 Tonelli Marco . . 4 Ta Dennis T. . 5 Westler William M. . 6 Vickery Larry E. . 7 Markley John L. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 48 _Journal_issue 26 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6062 _Page_last 6071 _Year 2009 _Details . loop_ _Keyword HscB 'iron-sulfur cluster' IscU stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'IscU-HscB complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IscU(D39A) $IscU(D39A) HscB $HscB stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'iron-sulfur cluster assembly and transfer' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IscU(D39A) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IscU(D39A) _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Iron-sulfur cluster assembly scaffold protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; MAYSEKVIDHYENPRNVGSF DNNDENVGSGMVGAPACGAV MKLQIKVNDEGIIEDARFKT YGCGSAIASSSLVTEWVKGK SLDEAQAIKNTDIAEELELP PVKIHCSILAEDAIKAAIAD YKSKREAK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 TYR 4 SER 5 GLU 6 LYS 7 VAL 8 ILE 9 ASP 10 HIS 11 TYR 12 GLU 13 ASN 14 PRO 15 ARG 16 ASN 17 VAL 18 GLY 19 SER 20 PHE 21 ASP 22 ASN 23 ASN 24 ASP 25 GLU 26 ASN 27 VAL 28 GLY 29 SER 30 GLY 31 MET 32 VAL 33 GLY 34 ALA 35 PRO 36 ALA 37 CYS 38 GLY 39 ALA 40 VAL 41 MET 42 LYS 43 LEU 44 GLN 45 ILE 46 LYS 47 VAL 48 ASN 49 ASP 50 GLU 51 GLY 52 ILE 53 ILE 54 GLU 55 ASP 56 ALA 57 ARG 58 PHE 59 LYS 60 THR 61 TYR 62 GLY 63 CYS 64 GLY 65 SER 66 ALA 67 ILE 68 ALA 69 SER 70 SER 71 SER 72 LEU 73 VAL 74 THR 75 GLU 76 TRP 77 VAL 78 LYS 79 GLY 80 LYS 81 SER 82 LEU 83 ASP 84 GLU 85 ALA 86 GLN 87 ALA 88 ILE 89 LYS 90 ASN 91 THR 92 ASP 93 ILE 94 ALA 95 GLU 96 GLU 97 LEU 98 GLU 99 LEU 100 PRO 101 PRO 102 VAL 103 LYS 104 ILE 105 HIS 106 CYS 107 SER 108 ILE 109 LEU 110 ALA 111 GLU 112 ASP 113 ALA 114 ILE 115 LYS 116 ALA 117 ALA 118 ILE 119 ALA 120 ASP 121 TYR 122 LYS 123 SER 124 LYS 125 ARG 126 GLU 127 ALA 128 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 BMRB 16245 IscU 100.00 130 99.22 99.22 6.33e-86 BMRB 16603 IscU 100.00 128 100.00 100.00 6.32e-87 BMRB 17282 IscU 100.00 128 99.22 99.22 5.74e-86 BMRB 17836 IscU 100.00 128 99.22 99.22 5.74e-86 BMRB 17837 IscU 100.00 128 99.22 99.22 5.74e-86 BMRB 17844 IscU 100.00 128 99.22 99.22 5.74e-86 BMRB 18359 IscU(D39V) 100.00 128 99.22 99.22 2.45e-86 BMRB 18360 IscU(E111A) 100.00 128 98.44 98.44 4.33e-85 BMRB 18361 IscU(N90A) 100.00 128 98.44 98.44 8.15e-85 BMRB 18362 IscU(S107A) 100.00 128 98.44 99.22 1.47e-85 BMRB 18381 IscU 100.00 128 99.22 99.22 5.74e-86 BMRB 18750 IscU 100.00 128 99.22 99.22 5.74e-86 BMRB 18754 IscU 100.00 128 99.22 99.22 5.74e-86 PDB 2KQK "Solution Structure Of Apo-Iscu(D39a)" 100.00 128 100.00 100.00 6.32e-87 PDB 2L4X "Solution Structure Of Apo-Iscu(Wt)" 100.00 128 99.22 99.22 5.74e-86 PDB 3LVL "Crystal Structure Of E.Coli Iscs-Iscu Complex" 99.22 129 99.21 99.21 7.31e-85 DBJ BAA16423 "scaffold protein [Escherichia coli str. K12 substr. W3110]" 100.00 128 99.22 99.22 5.74e-86 DBJ BAB36818 "NifU-like protein [Escherichia coli O157:H7 str. Sakai]" 100.00 128 99.22 99.22 5.74e-86 DBJ BAG78339 "conserved hypothetical protein [Escherichia coli SE11]" 100.00 128 99.22 99.22 5.74e-86 DBJ BAI26774 "scaffold protein IscU [Escherichia coli O26:H11 str. 11368]" 100.00 128 99.22 99.22 5.74e-86 DBJ BAI31803 "scaffold protein IscU [Escherichia coli O103:H2 str. 12009]" 100.00 128 99.22 99.22 5.74e-86 EMBL CAD02745 "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 128 97.66 99.22 6.55e-85 EMBL CAP76981 "NifU-like protein [Escherichia coli LF82]" 100.00 128 98.44 98.44 3.33e-85 EMBL CAQ32902 "scaffold protein involved in iron-sulfur cluster assembly [Escherichia coli BL21(DE3)]" 100.00 128 99.22 99.22 5.74e-86 EMBL CAQ88187 "scaffold protein [Escherichia fergusonii ATCC 35469]" 100.00 128 99.22 99.22 5.74e-86 EMBL CAQ99420 "scaffold protein [Escherichia coli IAI1]" 100.00 128 99.22 99.22 5.74e-86 GB AAC75582 "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 128 99.22 99.22 5.74e-86 GB AAG57643 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 100.00 128 99.22 99.22 5.74e-86 GB AAL21436 "NifU homolog [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 128 97.66 99.22 6.55e-85 GB AAN44075 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 100.00 128 99.22 99.22 5.74e-86 GB AAN81505 "NifU-like protein [Escherichia coli CFT073]" 100.00 128 99.22 99.22 5.74e-86 PIR AE0824 "NifU-like protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 128 97.66 99.22 6.55e-85 REF NP_311422 "scaffold protein [Escherichia coli O157:H7 str. Sakai]" 100.00 128 99.22 99.22 5.74e-86 REF NP_417024 "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 128 99.22 99.22 5.74e-86 REF NP_457073 "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 128 97.66 99.22 6.55e-85 REF NP_461477 "iron-sulfur cluster assembly scaffold protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 128 97.66 99.22 6.55e-85 REF NP_708368 "scaffold protein [Shigella flexneri 2a str. 301]" 100.00 128 99.22 99.22 5.74e-86 SP P0ACD4 "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" 100.00 128 99.22 99.22 5.74e-86 SP P0ACD5 "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" 100.00 128 99.22 99.22 5.74e-86 SP P0ACD6 "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" 100.00 128 99.22 99.22 5.74e-86 SP P0ACD7 "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU" 100.00 128 99.22 99.22 5.74e-86 stop_ save_ save_HscB _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HscB _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Co-chaperone protein' stop_ _Details . _Residue_count 171 _Mol_residue_sequence ; MDYFTLFGLPARYQLDTQAL SLRFQDLQRQYHPDKFASGS QAEQLAAVQQSATINQAWQT LRHPLMRAEYLLSLHGFDLA SEQHTVRDTAFLMEQLELRE ELDEIEQAKDEARLESFIKR VKKMFDTRHQLMVEQLDNET WDAAADTVRKLRFLDKLRSS AEQLEEKLLDF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 TYR 4 PHE 5 THR 6 LEU 7 PHE 8 GLY 9 LEU 10 PRO 11 ALA 12 ARG 13 TYR 14 GLN 15 LEU 16 ASP 17 THR 18 GLN 19 ALA 20 LEU 21 SER 22 LEU 23 ARG 24 PHE 25 GLN 26 ASP 27 LEU 28 GLN 29 ARG 30 GLN 31 TYR 32 HIS 33 PRO 34 ASP 35 LYS 36 PHE 37 ALA 38 SER 39 GLY 40 SER 41 GLN 42 ALA 43 GLU 44 GLN 45 LEU 46 ALA 47 ALA 48 VAL 49 GLN 50 GLN 51 SER 52 ALA 53 THR 54 ILE 55 ASN 56 GLN 57 ALA 58 TRP 59 GLN 60 THR 61 LEU 62 ARG 63 HIS 64 PRO 65 LEU 66 MET 67 ARG 68 ALA 69 GLU 70 TYR 71 LEU 72 LEU 73 SER 74 LEU 75 HIS 76 GLY 77 PHE 78 ASP 79 LEU 80 ALA 81 SER 82 GLU 83 GLN 84 HIS 85 THR 86 VAL 87 ARG 88 ASP 89 THR 90 ALA 91 PHE 92 LEU 93 MET 94 GLU 95 GLN 96 LEU 97 GLU 98 LEU 99 ARG 100 GLU 101 GLU 102 LEU 103 ASP 104 GLU 105 ILE 106 GLU 107 GLN 108 ALA 109 LYS 110 ASP 111 GLU 112 ALA 113 ARG 114 LEU 115 GLU 116 SER 117 PHE 118 ILE 119 LYS 120 ARG 121 VAL 122 LYS 123 LYS 124 MET 125 PHE 126 ASP 127 THR 128 ARG 129 HIS 130 GLN 131 LEU 132 MET 133 VAL 134 GLU 135 GLN 136 LEU 137 ASP 138 ASN 139 GLU 140 THR 141 TRP 142 ASP 143 ALA 144 ALA 145 ALA 146 ASP 147 THR 148 VAL 149 ARG 150 LYS 151 LEU 152 ARG 153 PHE 154 LEU 155 ASP 156 LYS 157 LEU 158 ARG 159 SER 160 SER 161 ALA 162 GLU 163 GLN 164 LEU 165 GLU 166 GLU 167 LYS 168 LEU 169 LEU 170 ASP 171 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15541 HscB 100.00 171 100.00 100.00 6.83e-118 PDB 1FPO "Hsc20 (Hscb), A J-Type Co-Chaperone From E. Coli" 100.00 171 99.42 99.42 3.88e-117 DBJ BAA16421 "DnaJ-like molecular chaperone specific for IscU [Escherichia coli str. K-12 substr. W3110]" 100.00 171 100.00 100.00 6.83e-118 DBJ BAB36816 "molecular chaperone [Escherichia coli O157:H7 str. Sakai]" 100.00 171 100.00 100.00 6.83e-118 DBJ BAG78337 "conserved hypothetical protein [Escherichia coli SE11]" 100.00 171 99.42 99.42 4.73e-117 DBJ BAI26772 "DnaJ-like molecular chaperone specific for IscU [Escherichia coli O26:H11 str. 11368]" 100.00 171 99.42 99.42 4.73e-117 DBJ BAI31801 "DnaJ-like molecular chaperone specific for IscU [Escherichia coli O103:H2 str. 12009]" 100.00 171 99.42 99.42 4.73e-117 EMBL CAP76979 "Co-chaperone protein hscB [Escherichia coli LF82]" 100.00 171 100.00 100.00 6.83e-118 EMBL CAQ32900 "Hsc20 co-chaperone that acts with Hsc66 in IscU iron-sulfur cluster assembly [Escherichia coli BL21(DE3)]" 100.00 171 100.00 100.00 6.83e-118 EMBL CAQ88189 "DnaJ-like molecular chaperone specific for IscU [Escherichia fergusonii ATCC 35469]" 100.00 171 100.00 100.00 6.83e-118 EMBL CAQ99418 "DnaJ-like molecular chaperone specific for IscU [Escherichia coli IAI1]" 100.00 171 99.42 99.42 4.73e-117 EMBL CAR03969 "DnaJ-like molecular chaperone specific for IscU [Escherichia coli S88]" 100.00 171 100.00 100.00 6.83e-118 GB AAA18299 "ORF-1 [Escherichia coli]" 100.00 171 100.00 100.00 6.83e-118 GB AAC75580 "HscA co-chaperone, J domain-containing protein Hsc56; IscU-specific chaperone HscAB [Escherichia coli str. K-12 substr. MG1655]" 100.00 171 100.00 100.00 6.83e-118 GB AAG57641 "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" 100.00 171 98.83 98.83 3.53e-116 GB AAN44073 "conserved hypothetical protein [Shigella flexneri 2a str. 301]" 100.00 171 98.83 98.83 7.59e-116 GB AAN81502 "Chaperone protein hscB [Escherichia coli CFT073]" 100.00 171 100.00 100.00 6.83e-118 PIR E85897 "hypothetical protein yfhE [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" 100.00 171 98.83 98.83 3.53e-116 REF NP_289084 "co-chaperone HscB [Escherichia coli O157:H7 str. EDL933]" 100.00 171 98.83 98.83 3.53e-116 REF NP_311420 "co-chaperone HscB [Escherichia coli O157:H7 str. Sakai]" 100.00 171 100.00 100.00 6.83e-118 REF NP_417022 "HscA co-chaperone, J domain-containing protein Hsc56; IscU-specific chaperone HscAB [Escherichia coli str. K-12 substr. MG1655]" 100.00 171 100.00 100.00 6.83e-118 REF NP_708366 "co-chaperone HscB [Shigella flexneri 2a str. 301]" 100.00 171 98.83 98.83 7.59e-116 REF NP_754934 "co-chaperone HscB [Escherichia coli CFT073]" 100.00 171 100.00 100.00 6.83e-118 SP A1AE64 "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20 [Escherichia coli APEC O1]" 100.00 171 100.00 100.00 6.83e-118 SP A7ZPX0 "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20 [Escherichia coli E24377A]" 100.00 171 99.42 99.42 4.73e-117 SP A8A333 "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20 [Escherichia coli HS]" 100.00 171 100.00 100.00 6.83e-118 SP B1IWD4 "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20 [Escherichia coli ATCC 8739]" 100.00 171 100.00 100.00 6.83e-118 SP B1LNI2 "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20 [Escherichia coli SMS-3-5]" 100.00 171 99.42 99.42 2.27e-117 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $IscU(D39A) 'E. coli' 562 Eubacteria . Escherichia coli 'Substitution of D39A was introduced artificially.' $HscB 'E. coli' 562 Eubacteria . 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 _Vector_name $IscU(D39A) 'recombinant technology' . Escherichia coli . pTrc99a $HscB 'recombinant technology' . Escherichia coli . pTrc99a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'The IscU(D39A) sample mixed with 2 equivalents of HscB' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IscU(D39A) 0.7 mM [U-15N] TRIS 20 mM 'natural abundance' DTT 5-10 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DSS 0.7 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' $HscB 1.4 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity-Inova _Field_strength 600 _Details 'Equipped with a z-gradient ColdProbe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY 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 'ionic strength' 0.15 . M pH 8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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_assigned_chemshift_D39AIscUwHscB _Saveframe_category assigned_chemical_shifts _Details 'Resonance assignment of IscU(D39A) complexed with HscB' loop_ _Software_label $NMRPipe $SPARKY $VNMRJ stop_ loop_ _Experiment_label '2D 1H-15N TROSY HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name IscU(D39A) _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 6 6 LYS H H 8.205 0.02 1 2 6 6 LYS N N 122.71 0.2 1 3 7 7 VAL H H 8.142 0.02 1 4 7 7 VAL N N 123.552 0.2 1 5 8 8 ILE H H 8.164 0.02 1 6 8 8 ILE N N 125.631 0.2 1 7 9 9 ASP H H 8.226 0.02 1 8 9 9 ASP N N 125.046 0.2 1 9 15 15 ARG H H 9.268 0.02 1 10 15 15 ARG N N 123.996 0.2 1 11 16 16 ASN H H 8.201 0.02 1 12 16 16 ASN N N 109.952 0.2 1 13 17 17 VAL H H 7.55 0.02 1 14 17 17 VAL N N 118.752 0.2 1 15 18 18 GLY H H 8.575 0.02 1 16 18 18 GLY N N 115.972 0.2 1 17 19 19 SER H H 7.949 0.02 1 18 19 19 SER N N 112.611 0.2 1 19 20 20 PHE H H 8.829 0.02 1 20 20 20 PHE N N 121.528 0.2 1 21 21 21 ASP H H 8.171 0.02 1 22 21 21 ASP N N 120.993 0.2 1 23 22 22 ASN H H 8.192 0.02 1 24 22 22 ASN N N 122.064 0.2 1 25 24 24 ASP H H 7.439 0.02 1 26 24 24 ASP N N 123.108 0.2 1 27 26 26 ASN H H 8.737 0.02 1 28 26 26 ASN N N 116.526 0.2 1 29 27 27 VAL H H 7.324 0.02 1 30 27 27 VAL N N 119.633 0.2 1 31 28 28 GLY H H 8.766 0.02 1 32 28 28 GLY N N 112.962 0.2 1 33 29 29 SER H H 10.434 0.02 1 34 29 29 SER N N 121.682 0.2 1 35 38 38 GLY H H 7.834 0.02 1 36 38 38 GLY N N 109.545 0.2 1 37 39 39 ALA H H 7.444 0.02 1 38 39 39 ALA N N 121.211 0.2 1 39 41 41 MET H H 8.991 0.02 1 40 41 41 MET N N 127.068 0.2 1 41 45 45 ILE H H 9.126 0.02 1 42 45 45 ILE N N 113.298 0.2 1 43 46 46 LYS H H 8.233 0.02 1 44 46 46 LYS N N 124.334 0.2 1 45 47 47 VAL H H 8.497 0.02 1 46 47 47 VAL N N 129.115 0.2 1 47 48 48 ASN H H 8.874 0.02 1 48 48 48 ASN N N 126.985 0.2 1 49 49 49 ASP H H 8.367 0.02 1 50 49 49 ASP N N 117.552 0.2 1 51 51 51 GLY H H 8.006 0.02 1 52 51 51 GLY N N 108.362 0.2 1 53 52 52 ILE H H 7.483 0.02 1 54 52 52 ILE N N 120.541 0.2 1 55 53 53 ILE H H 8.675 0.02 1 56 53 53 ILE N N 127.744 0.2 1 57 54 54 GLU H H 8.869 0.02 1 58 54 54 GLU N N 130.878 0.2 1 59 55 55 ASP H H 7.991 0.02 1 60 55 55 ASP N N 116.58 0.2 1 61 56 56 ALA H H 8.914 0.02 1 62 56 56 ALA N N 124.088 0.2 1 63 57 57 ARG H H 8.773 0.02 1 64 57 57 ARG N N 118.782 0.2 1 65 58 58 PHE H H 8.367 0.02 1 66 58 58 PHE N N 117.552 0.2 1 67 69 69 SER H H 7.446 0.02 1 68 69 69 SER N N 112.72 0.2 1 69 70 70 SER H H 7.006 0.02 1 70 70 70 SER N N 115.356 0.2 1 71 71 71 SER H H 7.492 0.02 1 72 71 71 SER N N 117.872 0.2 1 73 72 72 LEU H H 7.802 0.02 1 74 72 72 LEU N N 118.987 0.2 1 75 73 73 VAL H H 7.397 0.02 1 76 73 73 VAL N N 114.483 0.2 1 77 74 74 THR H H 7.661 0.02 1 78 74 74 THR N N 110.116 0.2 1 79 75 75 GLU H H 7.209 0.02 1 80 75 75 GLU N N 118.024 0.2 1 81 76 76 TRP H H 8.605 0.02 1 82 76 76 TRP N N 120.726 0.2 1 83 77 77 VAL H H 8.078 0.02 1 84 77 77 VAL N N 108.241 0.2 1 85 78 78 LYS H H 6.632 0.02 1 86 78 78 LYS N N 118.616 0.2 1 87 79 79 GLY H H 9.39 0.02 1 88 79 79 GLY N N 113.186 0.2 1 89 80 80 LYS H H 7.868 0.02 1 90 80 80 LYS N N 120.882 0.2 1 91 81 81 SER H H 8.958 0.02 1 92 81 81 SER N N 116.803 0.2 1 93 82 82 LEU H H 7.976 0.02 1 94 82 82 LEU N N 119.164 0.2 1 95 83 83 ASP H H 8.083 0.02 1 96 83 83 ASP N N 116.691 0.2 1 97 84 84 GLU H H 7.756 0.02 1 98 84 84 GLU N N 121.423 0.2 1 99 85 85 ALA H H 8.605 0.02 1 100 85 85 ALA N N 123.244 0.2 1 101 86 86 GLN H H 7.85 0.02 1 102 86 86 GLN N N 116.313 0.2 1 103 91 91 THR H H 7.109 0.02 1 104 91 91 THR N N 110.369 0.2 1 105 92 92 ASP H H 7.059 0.02 1 106 92 92 ASP N N 122.548 0.2 1 107 93 93 ILE H H 7.042 0.02 1 108 93 93 ILE N N 121.146 0.2 1 109 94 94 ALA H H 8.217 0.02 1 110 94 94 ALA N N 119.359 0.2 1 111 95 95 GLU H H 8.001 0.02 1 112 95 95 GLU N N 117.008 0.2 1 113 96 96 GLU H H 7.595 0.02 1 114 96 96 GLU N N 121.095 0.2 1 115 97 97 LEU H H 7.303 0.02 1 116 97 97 LEU N N 113.251 0.2 1 117 98 98 GLU H H 7.714 0.02 1 118 98 98 GLU N N 119.47 0.2 1 119 99 99 LEU H H 7.801 0.02 1 120 99 99 LEU N N 117.641 0.2 1 121 102 102 VAL H H 7.574 0.02 1 122 102 102 VAL N N 111.051 0.2 1 123 103 103 LYS H H 8.058 0.02 1 124 103 103 LYS N N 117.194 0.2 1 125 104 104 ILE H H 7.531 0.02 1 126 104 104 ILE N N 123.301 0.2 1 127 107 107 SER H H 7.366 0.02 1 128 107 107 SER N N 113.88 0.2 1 129 108 108 ILE H H 6.75 0.02 1 130 108 108 ILE N N 127.175 0.2 1 131 109 109 LEU H H 7.874 0.02 1 132 109 109 LEU N N 119.933 0.2 1 133 116 116 ALA H H 8.504 0.02 1 134 116 116 ALA N N 123.571 0.2 1 135 119 119 ALA H H 8.017 0.02 1 136 119 119 ALA N N 121.901 0.2 1 137 120 120 ASP H H 8.231 0.02 1 138 120 120 ASP N N 120.402 0.2 1 139 121 121 TYR H H 8.193 0.02 1 140 121 121 TYR N N 119.972 0.2 1 141 122 122 LYS H H 8.61 0.02 1 142 122 122 LYS N N 118.122 0.2 1 143 123 123 SER H H 8.172 0.02 1 144 123 123 SER N N 115.613 0.2 1 145 124 124 LYS H H 7.49 0.02 1 146 124 124 LYS N N 122.041 0.2 1 147 125 125 ARG H H 7.399 0.02 1 148 125 125 ARG N N 118.111 0.2 1 149 126 126 GLU H H 7.684 0.02 1 150 126 126 GLU N N 120.188 0.2 1 151 127 127 ALA H H 7.912 0.02 1 152 127 127 ALA N N 125.256 0.2 1 153 128 128 LYS H H 7.719 0.02 1 154 128 128 LYS N N 126.709 0.2 1 stop_ save_