data_17221 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Basic Requirements for a Metal-Binding Site in a Protein: The Influence of Loop Shortening on the Cupredoxin Azurin ; _BMRB_accession_number 17221 _BMRB_flat_file_name bmr17221.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 Li Chan . . 2 Yanagisawa Sachiko . . 3 Martins Berta M. . 4 Messerschmidt Albrecht . . 5 Banfield Mark J. . 6 Dennison Christopher . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count chemical_rates 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 'Basic Requirements for a metal-binding site in a protein: The influence of loop shortening on the cupredoxin azurin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16651527 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Chan . . 2 Yanagisawa Sachiko . . 3 Martins Berta M. . 4 Messerschmidt Albrecht . . 5 Banfield Mark J. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 103 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7258 _Page_last 7263 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'AZAMIF electron self exchange' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AZAMIF $AZAMIF 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_AZAMIF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AZAMIF _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; AECSVDIQGNDQMQFNTNAI TVDKSCKQFTVNLSHPGNLP KNVMGHNWVLSTAADMQGVV TDGMASGLDKDYLKPDDSRV IAHTKLIGSGEKDSVTFDVS KLKEGEQYMFFCTPHPMKGT LTLK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLU 3 CYS 4 SER 5 VAL 6 ASP 7 ILE 8 GLN 9 GLY 10 ASN 11 ASP 12 GLN 13 MET 14 GLN 15 PHE 16 ASN 17 THR 18 ASN 19 ALA 20 ILE 21 THR 22 VAL 23 ASP 24 LYS 25 SER 26 CYS 27 LYS 28 GLN 29 PHE 30 THR 31 VAL 32 ASN 33 LEU 34 SER 35 HIS 36 PRO 37 GLY 38 ASN 39 LEU 40 PRO 41 LYS 42 ASN 43 VAL 44 MET 45 GLY 46 HIS 47 ASN 48 TRP 49 VAL 50 LEU 51 SER 52 THR 53 ALA 54 ALA 55 ASP 56 MET 57 GLN 58 GLY 59 VAL 60 VAL 61 THR 62 ASP 63 GLY 64 MET 65 ALA 66 SER 67 GLY 68 LEU 69 ASP 70 LYS 71 ASP 72 TYR 73 LEU 74 LYS 75 PRO 76 ASP 77 ASP 78 SER 79 ARG 80 VAL 81 ILE 82 ALA 83 HIS 84 THR 85 LYS 86 LEU 87 ILE 88 GLY 89 SER 90 GLY 91 GLU 92 LYS 93 ASP 94 SER 95 VAL 96 THR 97 PHE 98 ASP 99 VAL 100 SER 101 LYS 102 LEU 103 LYS 104 GLU 105 GLY 106 GLU 107 GLN 108 TYR 109 MET 110 PHE 111 PHE 112 CYS 113 THR 114 PRO 115 HIS 116 PRO 117 MET 118 LYS 119 GLY 120 THR 121 LEU 122 THR 123 LEU 124 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 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 2FT6 'Structure Of Cu(Ii)azurin With The Metal-Binding Loop Sequence "ctfpghsalm" Replaced With "ctphpm"' 100.00 124 100.00 100.00 1.43e-86 PDB 2FT7 'Structure Of Cu(I)azurin At Ph 6, With The Metal-Binding Loop Sequence "ctfpghsalm" Replaced With "ctphpm"' 100.00 124 100.00 100.00 1.43e-86 PDB 2FT8 'Structure Of Cu(I)azurin, Ph8, With The Metal-Binding Loop Sequence "ctfpghsalm" Replaced With "ctphpm"' 100.00 124 100.00 100.00 1.43e-86 PDB 2FTA 'Structure Of Cu(ii)azurin With The Metal-binding Loop Sequence "ctfpghsalm" Replaced With "ctphpfm"' 100.81 125 99.20 99.20 1.00e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AZAMIF 'Pseudomonas aeruginosa' 287 Bacteria . Pseudomonas aeruginosa 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 $AZAMIF 'recombinant technology' . Escherichia coli JM101 ns 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 phosphate . mM 10 100 'natural abundance' $AZAMIF 1:1 ratio . . 'natural abundance' D2O 99.9 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_PYMOL _Saveframe_category software _Name PyMol _Version . loop_ _Vendor _Address _Electronic_address 'D eLano Scientific, San Carlos, CA' . . stop_ loop_ _Task visualization stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer JEOL _Model lambda _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H_NMR_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H NMR' _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 8.0 . pH pressure ambient . atm temperature 313 . K stop_ save_