data_26515 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Targeting and Maturation of Erv1/ALR in the Mitochondrial Intermembrane Space ; _BMRB_accession_number 26515 _BMRB_flat_file_name bmr26515.str _Entry_type original _Submission_date 2015-02-20 _Accession_date 2015-02-20 _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 Kallergi Emmanouela . . 2 Andreadaki Maria . . 3 Kritsiligkou Paraskevi . . 4 Katrakili Nitsa . . 5 Pozidis Charalambos . . 6 Tokatlidis Kostas . . 7 Banci Lucia . . 8 Bertini Ivano . . 9 Cefaro Chiara . . 10 Ciofi-Baffoni Simone . . 11 Gajda Karolina . . 12 Peruzzini Riccardo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count heteronucl_NOE 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "T2 relaxation values" 41 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-03-10 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 26533 'E. coli-purified sf-ALR' stop_ _Original_release_date 2015-03-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Targeting and Maturation of Erv1/ALR in the Mitochondrial Intermembrane Space' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22296668 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kallergi Emmanouela . . 2 Andreadaki Maria . . 3 Kritsiligkou Paraskevi . . 4 Katrakili Nitsa . . 5 Pozidis Charalambos . . 6 Tokatlidis Kostas . . 7 Banci Lucia . . 8 Bertini Ivano . . 9 Cefaro Chiara . . 10 Ciofi-Baffoni Simone . . 11 Gajda Karolina . . 12 Peruzzini Riccardo . . stop_ _Journal_abbreviation 'ACS Chem. Biol.' _Journal_volume 7 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 707 _Page_last 714 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name sf-ALR _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FAD-free sf-ALR, chain 1' $sf-ALR 'FAD-free sf-ALR, chain 2' $sf-ALR 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_sf-ALR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common sf-ALR _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; MRTQQKRDTKFREDCPPDRE ELGRHSWAVLHTLAAYYPDL PTPEQQQDMAQFIHLFSKFY PCEECAEDLRKRLARNHPDT RTRAAFTQWLCHLHNEVNRK LGKPDFDCSKVDERWRDGWK DGSCD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ARG 3 3 THR 4 4 GLN 5 5 GLN 6 6 LYS 7 7 ARG 8 8 ASP 9 9 THR 10 10 LYS 11 11 PHE 12 12 ARG 13 13 GLU 14 14 ASP 15 15 CYS 16 16 PRO 17 17 PRO 18 18 ASP 19 19 ARG 20 20 GLU 21 21 GLU 22 22 LEU 23 23 GLY 24 24 ARG 25 25 HIS 26 26 SER 27 27 TRP 28 28 ALA 29 29 VAL 30 30 LEU 31 31 HIS 32 32 THR 33 33 LEU 34 34 ALA 35 35 ALA 36 36 TYR 37 37 TYR 38 38 PRO 39 39 ASP 40 40 LEU 41 41 PRO 42 42 THR 43 43 PRO 44 44 GLU 45 45 GLN 46 46 GLN 47 47 GLN 48 48 ASP 49 49 MET 50 50 ALA 51 51 GLN 52 52 PHE 53 53 ILE 54 54 HIS 55 55 LEU 56 56 PHE 57 57 SER 58 58 LYS 59 59 PHE 60 60 TYR 61 61 PRO 62 62 CYS 63 63 GLU 64 64 GLU 65 65 CYS 66 66 ALA 67 67 GLU 68 68 ASP 69 69 LEU 70 70 ARG 71 71 LYS 72 72 ARG 73 73 LEU 74 74 ALA 75 75 ARG 76 76 ASN 77 77 HIS 78 78 PRO 79 79 ASP 80 80 THR 81 81 ARG 82 82 THR 83 83 ARG 84 84 ALA 85 85 ALA 86 86 PHE 87 87 THR 88 88 GLN 89 89 TRP 90 90 LEU 91 91 CYS 92 92 HIS 93 93 LEU 94 94 HIS 95 95 ASN 96 96 GLU 97 97 VAL 98 98 ASN 99 99 ARG 100 100 LYS 101 101 LEU 102 102 GLY 103 103 LYS 104 104 PRO 105 105 ASP 106 106 PHE 107 107 ASP 108 108 CYS 109 109 SER 110 110 LYS 111 111 VAL 112 112 ASP 113 113 GLU 114 114 ARG 115 115 TRP 116 116 ARG 117 117 ASP 118 118 GLY 119 119 TRP 120 120 LYS 121 121 ASP 122 122 GLY 123 123 SER 124 124 CYS 125 125 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-18 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 18029 sf-ALR 100.00 129 100.00 100.00 2.22e-87 BMRB 26533 sf-ALR 100.00 125 100.00 100.00 2.22e-87 PDB 3MBG "Crystal Structure Of Human Augmenter Of Liver Regeneration (Alr)" 100.00 139 100.00 100.00 1.42e-87 PDB 3O55 "Crystal Structure Of Human Fad-Linked Augmenter Of Liver Regeneration (Alr)" 100.00 125 100.00 100.00 2.22e-87 PDB 3TK0 "Mutation Of Sfalr" 100.00 126 99.20 99.20 1.39e-86 PDB 3U2L "Crystal Structure Of Human Alr Mutant C142s" 92.00 115 99.13 99.13 7.42e-79 PDB 3U2M "Crystal Structure Of Human Alr Mutant C142145S" 92.00 115 98.26 98.26 5.65e-78 PDB 4LDK "Fad-linked Sulfhydryl Oxidase Alr Mutation" 100.00 126 98.40 98.40 1.79e-85 DBJ BAI46852 "growth factor, augmenter of liver regeneration [synthetic construct]" 100.00 205 98.40 98.40 1.87e-85 EMBL CAB87993 "augmenter of liver regeneration [Homo sapiens]" 100.00 204 98.40 98.40 5.69e-85 GB AAA96390 "ERV1 [Homo sapiens]" 100.00 125 98.40 98.40 1.89e-85 GB AAD17327 "hepatopoietin HPO1 [Homo sapiens]" 96.00 131 97.50 98.33 2.19e-81 GB AAD17328 "hepatopoietin HPO2 [Homo sapiens]" 100.00 125 98.40 98.40 1.89e-85 GB AAD36986 "augmenter of liver regeneration [Homo sapiens]" 100.00 125 98.40 98.40 1.89e-85 GB AAG43494 "truncated augmenter of liver regeneration [Homo sapiens]" 69.60 94 97.70 97.70 3.30e-54 REF NP_005253 "FAD-linked sulfhydryl oxidase ALR [Homo sapiens]" 100.00 205 98.40 98.40 1.87e-85 REF XP_004057029 "PREDICTED: FAD-linked sulfhydryl oxidase ALR [Gorilla gorilla gorilla]" 100.00 205 97.60 97.60 1.27e-84 REF XP_007980253 "PREDICTED: FAD-linked sulfhydryl oxidase ALR isoform X1 [Chlorocebus sabaeus]" 100.00 205 97.60 97.60 1.67e-84 SP P55789 "RecName: Full=FAD-linked sulfhydryl oxidase ALR; AltName: Full=Augmenter of liver regeneration; Short=hERV1; AltName: Full=Hepa" 100.00 205 98.40 98.40 1.87e-85 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $sf-ALR Human 9606 Eukaryota Metazoa Homo sapiens 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 $sf-ALR 'recombinant technology' . Escherichia coli BL21(DE3) pSP64 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 _Isotopic_labeling $sf-ALR 0.5 mM '[U-100% 15N]' 'phosphate buffer' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN_1.3 _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CSI _Saveframe_category software _Name CSI _Version . loop_ _Vendor _Address _Electronic_address 'Wishart, D. S., and Sykes, B. D.' . . stop_ loop_ _Task 'chemical shift index analysis' stop_ _Details . save_ save_PECAN _Saveframe_category software _Name PECAN _Version . loop_ _Vendor _Address _Electronic_address 'Wishart, D. S., and Sykes, B. D.' . . stop_ loop_ _Task 'chemical shift index analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model NA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample_1 save_ save_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _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 temperature 308 . K pH 7.0 . pH pressure 1 . atm stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name 'FAD-free sf-ALR, chain 1' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 8 ASP N 7.65 . . . 2 9 THR N 7.5 . . . 3 10 LYS N 9.63 . . . 4 11 PHE N 8.28 . . . 5 12 ARG N 9.19 . . . 6 13 GLU N 11.14 . . . 7 14 ASP N 9.33 . . . 8 15 CYS N 17.56 . . . 9 34 ALA N 23.89 . . . 10 35 ALA N 18.08 . . . 11 36 TYR N 23.46 . . . 12 37 TYR N 24.69 . . . 13 40 LEU N 23.03 . . . 14 42 THR N 22.65 . . . 15 47 GLN N 27.6 . . . 16 48 ASP N 24.35 . . . 17 49 MET N 17.44 . . . 18 50 ALA N 15.13 . . . 19 57 SER N 31.19 . . . 20 58 LYS N 21.86 . . . 21 59 PHE N 20.91 . . . 22 80 THR N 29.37 . . . 23 81 ARG N 22.96 . . . 24 82 THR N 34.02 . . . 25 86 PHE N 25.29 . . . 26 87 THR N 23 . . . 27 102 GLY N 12.78 . . . 28 110 LYS N 13.89 . . . 29 111 VAL N 9.86 . . . 30 112 ASP N 9.38 . . . 31 113 GLU N 10.87 . . . 32 114 ARG N 12.69 . . . 33 115 TRP N 11.9 . . . 34 116 ARG N 9.41 . . . 35 117 ASP N 8.67 . . . 36 118 GLY N 8.24 . . . 37 120 LYS N 8.12 . . . 38 122 GLY N 5.51 . . . 39 123 SER N 5.55 . . . 40 124 CYS N 3.9 . . . 41 125 ASP N 2.38 . . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details 'Fully reduced FAD-free ALR' loop_ _Experiment_label '1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'FAD-free sf-ALR, chain 1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 8 ASP 0.35 . 9 THR -0.07 . 10 LYS -0.07 . 11 PHE 0.23 . 12 ARG 0.06 . 13 GLU 0.29 . 14 ASP 0.05 . 15 CYS 0.35 . 34 ALA 0.98 . 35 ALA 0.61 . 36 TYR 0.85 . 37 TYR 0.86 . 40 LEU 0.74 . 42 THR 0.71 . 47 GLN 0.52 . 48 ASP 0.92 . 49 MET 0.54 . 50 ALA 0.5 . 57 SER 0.65 . 58 LYS 0.6 . 59 PHE 0.59 . 80 THR 0.77 . 81 ARG 0.65 . 82 THR 0.63 . 86 PHE 0.67 . 87 THR 0.47 . 102 GLY 0.28 . 110 LYS 0.46 . 111 VAL -0.06 . 112 ASP 0.11 . 113 GLU -0.04 . 114 ARG 0.23 . 115 TRP 0.22 . 116 ARG 0.19 . 117 ASP 0.28 . 118 GLY 0.03 . 119 TRP 0.25 . 120 LYS -0.05 . 121 ASP 0.02 . 122 GLY -0.48 . 123 SER -0.7 . 124 CYS 0.37 . 125 ASP -1.49 . stop_ save_