data_17223 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Measurement of bond vector orientations in invisible excited states of proteins ; _BMRB_accession_number 17223 _BMRB_flat_file_name bmr17223.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 Vallurupalli Pramodh . . 2 Hansen D. F. . 3 Stollar Elliott . . 4 Meirovitch Eva . . 5 Kay Lewis E. . 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 'Measurement of bond vector orientations in invisible excited states of proteins' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18006656 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vallurupalli Pramodh . . 2 Hansen D. F. . 3 Stollar Elliott . . 4 Meirovitch Eva . . 5 Kay Lewis E. . 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 104 _Journal_issue 47 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18473 _Page_last 18477 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ark1p/SH3 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ark1p $Ark1p SH3 $SH3 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_Ark1p _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ark1p _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 17 _Mol_residue_sequence KKTKPTPPPKPSHLKPK loop_ _Residue_seq_code _Residue_label 1 LYS 2 LYS 3 THR 4 LYS 5 PRO 6 THR 7 PRO 8 PRO 9 PRO 10 LYS 11 PRO 12 SER 13 HIS 14 LEU 15 LYS 16 PRO 17 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 2RPN "A Crucial Role For High Intrinsic Specificity In The Function Of Yeast Sh3 Domains" 100.00 18 100.00 100.00 7.65e+00 DBJ GAA26063 "K7_Ark1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 638 100.00 100.00 3.56e+00 EMBL CAA95882 "unnamed protein product [Saccharomyces cerevisiae]" 100.00 638 100.00 100.00 3.56e+00 GB AHY77072 "Ark1p [Saccharomyces cerevisiae YJM993]" 100.00 638 100.00 100.00 3.59e+00 GB AJP41309 "Ark1p [Saccharomyces cerevisiae YJM1078]" 100.00 638 100.00 100.00 3.52e+00 GB AJT01746 "Ark1p [Saccharomyces cerevisiae YJM189]" 100.00 638 100.00 100.00 3.59e+00 GB AJT02116 "Ark1p [Saccharomyces cerevisiae YJM193]" 100.00 638 100.00 100.00 3.56e+00 GB AJT02860 "Ark1p [Saccharomyces cerevisiae YJM244]" 100.00 638 100.00 100.00 3.59e+00 REF NP_014378 "serine/threonine protein kinase ARK1 [Saccharomyces cerevisiae S288c]" 100.00 638 100.00 100.00 3.56e+00 SP P53974 "RecName: Full=Actin-regulating kinase 1" 100.00 638 100.00 100.00 3.56e+00 TPG DAA10525 "TPA: serine/threonine protein kinase ARK1 [Saccharomyces cerevisiae S288c]" 100.00 638 100.00 100.00 3.56e+00 stop_ save_ save_SH3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SH3 _Molecular_mass . _Mol_thiol_state 'not reported' _Details . _Residue_count 59 _Mol_residue_sequence ; APWATAEYDYDAAEDNELTF VENDKIINIEFVDDDWWLGE LEKDGSKGLFPSNYVSLGN ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 PRO 3 TRP 4 ALA 5 THR 6 ALA 7 GLU 8 TYR 9 ASP 10 TYR 11 ASP 12 ALA 13 ALA 14 GLU 15 ASP 16 ASN 17 GLU 18 LEU 19 THR 20 PHE 21 VAL 22 GLU 23 ASN 24 ASP 25 LYS 26 ILE 27 ILE 28 ASN 29 ILE 30 GLU 31 PHE 32 VAL 33 ASP 34 ASP 35 ASP 36 TRP 37 TRP 38 LEU 39 GLY 40 GLU 41 LEU 42 GLU 43 LYS 44 ASP 45 GLY 46 SER 47 LYS 48 GLY 49 LEU 50 PHE 51 PRO 52 SER 53 ASN 54 TYR 55 VAL 56 SER 57 LEU 58 GLY 59 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 16843 Abp1p 100.00 62 100.00 100.00 4.12e-33 BMRB 18054 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18055 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18056 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18057 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18058 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18059 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18060 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18061 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18062 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18063 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18064 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18065 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18066 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18067 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18068 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18069 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18070 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18071 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18072 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18073 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18074 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18075 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18076 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18077 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 18078 AbpSH3 100.00 59 100.00 100.00 6.19e-33 BMRB 25354 Abp1p_SH3 100.00 62 100.00 100.00 4.12e-33 PDB 1JO8 "Structural Analysis Of The Yeast Actin Binding Protein Abp1 Sh3 Domain" 98.31 58 100.00 100.00 2.53e-32 PDB 2K3B "Seeing The Invisible: Structures Of Excited Protein States By Relaxation Dispersion Nmr" 100.00 62 100.00 100.00 4.12e-33 PDB 2RPN "A Crucial Role For High Intrinsic Specificity In The Function Of Yeast Sh3 Domains" 100.00 59 100.00 100.00 6.19e-33 DBJ GAA21988 "K7_Abp1p [Saccharomyces cerevisiae Kyokai no. 7]" 98.31 592 100.00 100.00 4.93e-32 EMBL CAA36075 "unnamed protein product [Saccharomyces cerevisiae]" 98.31 592 100.00 100.00 5.35e-32 EMBL CAA42253 "actin-binding protein [Saccharomyces cerevisiae]" 98.31 592 100.00 100.00 5.63e-32 EMBL CAY78291 "Abp1p [Saccharomyces cerevisiae EC1118]" 98.31 592 100.00 100.00 4.78e-32 GB AHN96147 "ABP1 [synthetic construct]" 98.31 592 100.00 100.00 5.63e-32 GB AHV79349 "ABP1 [synthetic construct]" 98.31 592 100.00 100.00 5.63e-32 GB AHY79755 "Abp1p [Saccharomyces cerevisiae YJM993]" 98.31 592 100.00 100.00 4.93e-32 GB EDN62198 "actin binding protein [Saccharomyces cerevisiae YJM789]" 98.31 592 100.00 100.00 4.93e-32 GB EDV09772 "actin binding protein [Saccharomyces cerevisiae RM11-1a]" 98.31 592 100.00 100.00 4.93e-32 PRF 1603360A "actin binding protein" 98.31 592 100.00 100.00 5.46e-32 REF NP_010012 "Abp1p [Saccharomyces cerevisiae S288c]" 98.31 592 100.00 100.00 5.63e-32 REF XP_011102734 "abp1p [Saccharomyces arboricola H-6]" 98.31 595 98.28 100.00 6.96e-32 SP P15891 "RecName: Full=Actin-binding protein [Saccharomyces cerevisiae S288c]" 98.31 592 100.00 100.00 5.63e-32 TPG DAA07557 "TPA: Abp1p [Saccharomyces cerevisiae S288c]" 98.31 592 100.00 100.00 5.63e-32 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ark1p 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae $SH3 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Ark1p 'purified from the natural source' . Escherichia coli . na $SH3 'purified from the natural source' . Escherichia coli . na stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Ark1p bound to SH3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ark1p 6.8 % 'natural abundance' $SH3 1.3 mM '[U-15N, 90% U2H]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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_FuDA _Saveframe_category software _Name FuDA _Version . loop_ _Vendor _Address _Electronic_address 'D. Flemming Hansen' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer na _Model na _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer na _Model na _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_TROSY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '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 pH 7.0 . pH pressure ambient . atm temperature 298 . K stop_ save_