data_16420 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Protein stablilization by specific binding of guanidinium to a functional arginine-binding surface on an SH3 domain ; _BMRB_accession_number 16420 _BMRB_flat_file_name bmr16420.str _Entry_type original _Submission_date 2009-07-23 _Accession_date 2009-07-23 _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 Zarrine-Afsar Arash . . 2 Mittermaier Anthony . . 3 Kay Lewis E. . 4 Davidson Alan R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count binding_constants 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-08 original author . stop_ _Original_release_date 2010-03-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Protein stabilization by specific binding of guanidinium to a functional arginine-binding surface on an SH3 domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16373478 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zarrine-Afsar Arash . . 2 Mittermaier Anthony . . 3 Kay Lewis E. . 4 Davidson Alan R. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 1 _Journal_issue 15 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 162 _Page_last 170 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Fyn_SH3 GuHCl complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Fyn SH3 domain' $Fyn_SH3_domain 'Guanidium chloride' $GuHCl 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_Fyn_SH3_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Fyn_SH3_domain _Molecular_mass 13476.70 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; VTLFVALYDYEARTEDDLSF HKGEKFQILNSSEGDWWEAR SLTTGETGYIPSNYVAPVD ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 THR 3 LEU 4 PHE 5 VAL 6 ALA 7 LEU 8 TYR 9 ASP 10 TYR 11 GLU 12 ALA 13 ARG 14 THR 15 GLU 16 ASP 17 ASP 18 LEU 19 SER 20 PHE 21 HIS 22 LYS 23 GLY 24 GLU 25 LYS 26 PHE 27 GLN 28 ILE 29 LEU 30 ASN 31 SER 32 SER 33 GLU 34 GLY 35 ASP 36 TRP 37 TRP 38 GLU 39 ALA 40 ARG 41 SER 42 LEU 43 THR 44 THR 45 GLY 46 GLU 47 THR 48 GLY 49 TYR 50 ILE 51 PRO 52 SER 53 ASN 54 TYR 55 VAL 56 ALA 57 PRO 58 VAL 59 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 1A0N "Nmr Study Of The Sh3 Domain From Fyn Proto-Oncogene Tyrosine Kinase Complexed With The Synthetic Peptide P2l Corresponding To R" 100.00 69 100.00 100.00 8.21e-35 PDB 1AVZ "V-1 Nef Protein In Complex With Wild Type Fyn Sh3 Domain" 96.61 57 100.00 100.00 3.51e-33 PDB 1AZG "Nmr Study Of The Sh3 Domain From Fyn Proto-Oncogene Tyrosine Kinase Kinase Complexed With The Synthetic Peptide P2l Correspondi" 100.00 67 100.00 100.00 7.97e-35 PDB 1EFN "Hiv-1 Nef Protein In Complex With R96i Mutant Fyn Sh3 Domain" 96.61 59 98.25 98.25 4.42e-32 PDB 1FYN Phosphotransferase 100.00 62 100.00 100.00 1.54e-34 PDB 1G83 "Crystal Structure Of Fyn Sh3-Sh2" 100.00 165 100.00 100.00 7.08e-34 PDB 1M27 "Crystal Structure Of SapFYNSH3SLAM TERNARY COMPLEX" 100.00 61 100.00 100.00 1.12e-34 PDB 1NYF "Nmr Study Of The Sh3 Domain From Fyn Proto-Oncogene Tyrosine Kinase, Minimized Average (Probmap) Structure" 100.00 67 100.00 100.00 7.97e-35 PDB 1NYG "Nmr Study Of The Sh3 Domain From Fyn Proto-Oncogene Tyrosine Kinase, Family Of 20 Structures" 100.00 67 100.00 100.00 7.97e-35 PDB 1SHF "Crystal Structure Of The Sh3 Domain In Human Fyn; Comparison Of The Three-Dimensional Structures Of Sh3 Domains In Tyrosine Kin" 100.00 59 100.00 100.00 1.30e-34 PDB 1ZBJ "Inferential Structure Determination Of The Fyn Sh3 Domain Using Noesy Data From A 15n,H2 Enriched Protein" 100.00 59 100.00 100.00 1.30e-34 PDB 3H0F "Crystal Structure Of The Human Fyn Sh3 R96w Mutant" 100.00 73 98.31 98.31 4.16e-33 PDB 3H0H "Human Fyn Sh3 Domain R96i Mutant, Crystal Form I" 100.00 73 98.31 98.31 1.65e-33 PDB 3H0I "Human Fyn Sh3 Domain R96i Mutant, Crystal Form Ii" 100.00 73 98.31 98.31 1.65e-33 PDB 3UA6 "Crystal Structure Of The Human Fyn Sh3 Domain" 100.00 64 100.00 100.00 9.91e-35 PDB 3UA7 "Crystal Structure Of The Human Fyn Sh3 Domain In Complex With A Peptide From The Hepatitis C Virus Ns5a-protein" 100.00 64 100.00 100.00 9.91e-35 PDB 3UF4 "Crystal Structure Of A Sh3 And Sh2 Domains Of Fyn Protein (proto- Concogene Tyrosine-protein Kinase Fyn) From Mus Musculus At 1" 100.00 164 100.00 100.00 1.04e-33 PDB 4D8D "Crystal Structure Of Hiv-1 Nef Fyn-sh3 R96w Variant" 98.31 58 98.28 98.28 2.62e-32 PDB 4EIK "Crystal Structure Of The Human Fyn Sh3 Domain In Complex With The Synthetic Peptide Vsl12" 100.00 64 100.00 100.00 9.91e-35 DBJ BAE33766 "unnamed protein product [Mus musculus]" 100.00 537 100.00 100.00 7.47e-32 DBJ BAE42585 "unnamed protein product [Mus musculus]" 100.00 534 100.00 100.00 6.48e-32 DBJ BAG70107 "protein-tyrosine kinase fyn isoform a [Homo sapiens]" 100.00 537 100.00 100.00 7.32e-32 DBJ BAG70240 "protein-tyrosine kinase fyn isoform a [Homo sapiens]" 100.00 537 100.00 100.00 7.32e-32 DBJ BAI46902 "FYN oncogene related to SRC, FGR, YES [synthetic construct]" 100.00 537 100.00 100.00 7.32e-32 EMBL CAA37025 "c-fyn, fyn proto-oncogene [Gallus gallus]" 100.00 534 98.31 98.31 7.79e-31 EMBL CAC44028 "fyn protein [Hylobates sp.]" 100.00 534 100.00 100.00 6.48e-32 GB AAA36615 "src-like tyrosine kinase (put.); putative [Homo sapiens]" 100.00 537 100.00 100.00 7.32e-32 GB AAA37644 "p59fyn [Mus musculus]" 100.00 534 100.00 100.00 7.31e-32 GB AAA82942 "proto-oncogene FYN [Rattus norvegicus]" 100.00 537 100.00 100.00 7.47e-32 GB AAB09568 "Fyn(T) [Mus musculus]" 100.00 534 100.00 100.00 7.31e-32 GB AAB33113 "tyrosine kinase p59fyn(T) [Homo sapiens]" 100.00 534 100.00 100.00 6.74e-32 REF NP_001071440 "tyrosine-protein kinase Fyn [Bos taurus]" 100.00 537 100.00 100.00 7.63e-32 REF NP_001073675 "tyrosine-protein kinase Fyn [Sus scrofa]" 100.00 537 100.00 100.00 7.11e-32 REF NP_001116364 "tyrosine-protein kinase Fyn isoform b [Mus musculus]" 100.00 534 100.00 100.00 7.31e-32 REF NP_001116365 "tyrosine-protein kinase Fyn isoform a [Mus musculus]" 100.00 537 100.00 100.00 7.47e-32 REF NP_002028 "tyrosine-protein kinase Fyn isoform a [Homo sapiens]" 100.00 537 100.00 100.00 7.32e-32 SP A0JNB0 "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" 100.00 537 100.00 100.00 7.63e-32 SP A1Y2K1 "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" 100.00 537 100.00 100.00 7.11e-32 SP P06241 "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene Syn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=" 100.00 537 100.00 100.00 7.32e-32 SP P39688 "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" 100.00 537 100.00 100.00 7.47e-32 SP Q05876 "RecName: Full=Tyrosine-protein kinase Fyn; AltName: Full=Proto-oncogene c-Fyn; AltName: Full=p59-Fyn" 100.00 534 98.31 98.31 7.79e-31 TPG DAA26259 "TPA: proto-oncogene tyrosine-protein kinase Fyn [Bos taurus]" 100.00 537 100.00 100.00 7.63e-32 stop_ save_ ############# # Ligands # ############# save_GuHCl _Saveframe_category ligand _Mol_type non-polymer _Name_common GuHCl _Molecular_mass . _Details . _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Fyn_SH3_domain 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 _Variant _Vector_type _Vector_name $Fyn_SH3_domain 'recombinant technology' . Escherichia coli Bl2l DE3 n/a n/a 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 $Fyn_SH3_domain 0.25 mM . . '[U-100% 15N]' 'sodium phosphate' 50 mM . . 'natural abundance' NaCl 100 mM . . 'natural abundance' EDTA 0.2 mM . . 'natural abundance' DSS 4 mM . . 'natural abundance' $GuHCl . M 0 0.85 '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 'peak picking' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N 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_