data_5925 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-terminal SH3 domain of Drk (drkN SH3 domain) ; _BMRB_accession_number 5925 _BMRB_flat_file_name bmr5925.str _Entry_type original _Submission_date 2003-08-28 _Accession_date 2003-08-28 _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 Bezsonova I. Y. . 2 Singer A. . . 3 Choy W.-Y. . . 4 Tollinger M. . . 5 Forman-Kay J. D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 56 "13C chemical shifts" 56 "15N chemical shifts" 56 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-01-12 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5923 'T22G mutant of the Drosophila protein drk' stop_ _Original_release_date 2006-01-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural comparison of the unstable drkN SH3 domain and a stable mutant' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16300404 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bezsonova Irina Yu. . 2 Singer Alex . . 3 Choy Wing-Yiu . . 4 Tollinger Martin . . 5 Forman-Kay Julie D. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 44 _Journal_issue 47 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15550 _Page_last 15560 _Year 2005 _Details . loop_ _Keyword '3-10 helix' drk 'Drosophila melanogaster' 'NMR structure' 'SH3 fragment' stop_ save_ ################################## # Molecular system description # ################################## save_system_drkN_SH3 _Saveframe_category molecular_system _Mol_system_name 'SH2-SH3 adapter protein drk' _Abbreviation_common 'drkN SH3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH2-SH3 adapter protein drk' $drkN_SH3_doman stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_drkN_SH3_doman _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'The Drosophila N-terminal SH3 domain of Downstream of Receptor Kinases protein' _Abbreviation_common 'drkN SH3 domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; MEAIAKHDFSATADDELSFR KTGILKILNMGDDSNWYRAE LDGKEGLIPSNYIEMKNHD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ALA 4 ILE 5 ALA 6 LYS 7 HIS 8 ASP 9 PHE 10 SER 11 ALA 12 THR 13 ALA 14 ASP 15 ASP 16 GLU 17 LEU 18 SER 19 PHE 20 ARG 21 LYS 22 THR 23 GLY 24 ILE 25 LEU 26 LYS 27 ILE 28 LEU 29 ASN 30 MET 31 GLY 32 ASP 33 ASP 34 SER 35 ASN 36 TRP 37 TYR 38 ARG 39 ALA 40 GLU 41 LEU 42 ASP 43 GLY 44 LYS 45 GLU 46 GLY 47 LEU 48 ILE 49 PRO 50 SER 51 ASN 52 TYR 53 ILE 54 GLU 55 MET 56 LYS 57 ASN 58 HIS 59 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 5923 T22G_drkN_SH3_domain 100.00 59 98.31 98.31 1.53e-33 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $drkN_SH3_doman 'Fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $drkN_SH3_doman 'recombinant technology' . . . . . 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 $drkN_SH3_doman 1.0 mM '[U-13C; U-15N]' Na2SO4 500 mM . 'phosphate buffer' 50 mM . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details Delagio save_ save_CNS _Saveframe_category software _Name CNS _Version 1.0 loop_ _Task refinement stop_ _Details Brunger save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Task 'data analysis' stop_ _Details Garrett save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 1.664 . M pH 6.0 0.1 pH pressure 1 . atm temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'SH2-SH3 adapter protein drk' _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 . 1 MET C C 171.653717 0.140 1 2 . 2 GLU H H 8.9928799 0.050 1 3 . 2 GLU C C 173.590469 0.140 1 4 . 2 GLU N N 124.496856 0.600 1 5 . 3 ALA H H 8.9790401 0.050 1 6 . 3 ALA C C 174.107070 0.140 1 7 . 3 ALA N N 121.020767 0.600 1 8 . 4 ILE H H 8.8369999 0.050 1 9 . 4 ILE C C 175.808807 0.140 1 10 . 4 ILE N N 118.283317 0.600 1 11 . 5 ALA H H 8.8104897 0.050 1 12 . 5 ALA C C 178.822952 0.140 1 13 . 5 ALA N N 127.256698 0.600 1 14 . 6 LYS H H 9.4661503 0.050 1 15 . 6 LYS C C 174.557922 0.140 1 16 . 6 LYS N N 124.613288 0.600 1 17 . 7 HIS H H 7.6236501 0.050 1 18 . 7 HIS C C 171.883117 0.140 1 19 . 7 HIS N N 113.239883 0.600 1 20 . 8 ASP H H 8.8169003 0.050 1 21 . 8 ASP C C 175.675064 0.140 1 22 . 8 ASP N N 119.916572 0.600 1 23 . 9 PHE H H 8.6369305 0.050 1 24 . 9 PHE C C 173.290603 0.140 1 25 . 9 PHE N N 120.622108 0.600 1 26 . 10 SER H H 7.6644201 0.050 1 27 . 10 SER C C 180.556610 0.140 1 28 . 10 SER N N 122.883010 0.600 1 29 . 11 ALA H H 8.2965097 0.050 1 30 . 11 ALA C C 178.327743 0.140 1 31 . 11 ALA N N 126.693069 0.600 1 32 . 12 THR H H 8.6966496 0.050 1 33 . 12 THR C C 173.092346 0.140 1 34 . 12 THR N N 111.838226 0.600 1 35 . 13 ALA H H 7.4297600 0.050 1 36 . 13 ALA C C 177.898880 0.140 1 37 . 13 ALA N N 122.724502 0.600 1 38 . 14 ASP H H 8.6391497 0.050 1 39 . 14 ASP C C 175.722335 0.140 1 40 . 14 ASP N N 118.418487 0.600 1 41 . 15 ASP H H 8.2125797 0.050 1 42 . 15 ASP C C 175.898025 0.140 1 43 . 15 ASP N N 113.971153 0.600 1 44 . 16 GLU H H 7.4380102 0.050 1 45 . 16 GLU C C 174.874191 0.140 1 46 . 16 GLU N N 118.139556 0.600 1 47 . 17 LEU H H 8.4792805 0.050 1 48 . 17 LEU C C 174.269424 0.140 1 49 . 17 LEU N N 123.667343 0.600 1 50 . 18 SER H H 7.9001002 0.050 1 51 . 18 SER C C 173.510025 0.140 1 52 . 18 SER N N 116.510429 0.600 1 53 . 19 PHE H H 8.6691799 0.050 1 54 . 19 PHE C C 173.577529 0.140 1 55 . 19 PHE N N 113.842292 0.600 1 56 . 20 ARG H H 9.4464903 0.050 1 57 . 20 ARG C C 175.562088 0.140 1 58 . 20 ARG N N 118.478439 0.600 1 59 . 21 LYS H H 9.2847204 0.050 1 60 . 21 LYS C C 176.944427 0.140 1 61 . 21 LYS N N 119.658218 0.600 1 62 . 22 THR H H 8.8044701 0.050 1 63 . 22 THR C C 173.200836 0.140 1 64 . 22 THR N N 116.448173 0.600 1 65 . 23 GLY H H 8.1894102 0.050 1 66 . 23 GLY C C 173.937225 0.140 1 67 . 23 GLY N N 119.912933 0.600 1 68 . 24 ILE H H 8.2207603 0.050 1 69 . 24 ILE C C 175.494964 0.140 1 70 . 24 ILE N N 119.691848 0.600 1 71 . 25 LEU H H 9.0917101 0.050 1 72 . 25 LEU C C 175.199462 0.140 1 73 . 25 LEU N N 127.405212 0.600 1 74 . 26 LYS H H 8.2651901 0.050 1 75 . 26 LYS C C 175.726272 0.140 1 76 . 26 LYS N N 121.334167 0.600 1 77 . 27 ILE H H 8.4390802 0.050 1 78 . 27 ILE C C 175.420486 0.140 1 79 . 27 ILE N N 123.834030 0.600 1 80 . 28 LEU H H 9.2509499 0.050 1 81 . 28 LEU C C 177.015167 0.140 1 82 . 28 LEU N N 128.036254 0.600 1 83 . 29 ASN H H 7.6533999 0.050 1 84 . 29 ASN C C 173.253143 0.140 1 85 . 29 ASN N N 113.202270 0.600 1 86 . 30 MET H H 8.8427401 0.050 1 87 . 30 MET C C 174.417968 0.140 1 88 . 30 MET N N 122.680099 0.600 1 89 . 31 GLY H H 8.1349297 0.050 1 90 . 31 GLY C C 176.417755 0.140 1 91 . 31 GLY N N 120.649177 0.600 1 92 . 32 ASP H H 8.4657297 0.050 1 93 . 32 ASP C C 176.143005 0.140 1 94 . 32 ASP N N 120.518241 0.600 1 95 . 33 ASP H H 8.2629499 0.050 1 96 . 33 ASP C C 175.178527 0.140 1 97 . 33 ASP N N 118.026252 0.600 1 98 . 34 SER H H 8.1925097 0.050 1 99 . 34 SER C C 174.633194 0.140 1 100 . 34 SER N N 115.058380 0.600 1 101 . 35 ASN H H 8.9226704 0.050 1 102 . 35 ASN C C 174.369308 0.140 1 103 . 35 ASN N N 118.643066 0.600 1 104 . 36 TRP H H 8.0120401 0.050 1 105 . 36 TRP C C 174.704116 0.140 1 106 . 36 TRP N N 120.469108 0.600 1 107 . 37 TYR H H 8.9892502 0.050 1 108 . 37 TYR C C 175.089706 0.140 1 109 . 37 TYR N N 119.794067 0.600 1 110 . 38 ARG H H 8.7722797 0.050 1 111 . 38 ARG C C 174.908203 0.140 1 112 . 38 ARG N N 120.662551 0.600 1 113 . 39 ALA H H 9.5426798 0.050 1 114 . 39 ALA C C 173.106979 0.140 1 115 . 39 ALA N N 130.593521 0.600 1 116 . 40 GLU H H 8.9507198 0.050 1 117 . 40 GLU C C 174.429611 0.140 1 118 . 40 GLU N N 117.532348 0.600 1 119 . 41 LEU H H 8.9365101 0.050 1 120 . 41 LEU C C 175.624191 0.140 1 121 . 41 LEU N N 125.130462 0.600 1 122 . 42 ASP H H 9.7105904 0.050 1 123 . 42 ASP N N 128.921768 0.600 1 124 . 43 GLY C C 173.572113 0.140 1 125 . 44 LYS H H 7.9361300 0.050 1 126 . 44 LYS C C 173.834960 0.140 1 127 . 44 LYS N N 121.648941 0.600 1 128 . 45 GLU H H 8.5008297 0.050 1 129 . 45 GLU C C 176.640167 0.140 1 130 . 45 GLU N N 119.547149 0.600 1 131 . 46 GLY H H 8.8467598 0.050 1 132 . 46 GLY C C 179.605484 0.140 1 133 . 46 GLY N N 107.150000 0.600 1 134 . 47 LEU H H 9.2696400 0.050 1 135 . 47 LEU C C 177.478195 0.140 1 136 . 47 LEU N N 119.604492 0.600 1 137 . 48 ILE H H 9.4356003 0.050 1 138 . 48 ILE N N 111.923736 0.600 1 139 . 49 PRO C C 178.489715 0.140 1 140 . 50 SER H H 7.8733201 0.050 1 141 . 50 SER C C 174.931304 0.140 1 142 . 50 SER N N 118.884132 0.600 1 143 . 51 ASN H H 8.3819599 0.050 1 144 . 51 ASN C C 175.657638 0.140 1 145 . 51 ASN N N 114.570686 0.600 1 146 . 52 TYR H H 7.6752300 0.050 1 147 . 52 TYR C C 174.547805 0.140 1 148 . 52 TYR N N 118.051963 0.600 1 149 . 53 ILE H H 7.2552199 0.050 1 150 . 53 ILE C C 173.465194 0.140 1 151 . 53 ILE N N 110.241073 0.600 1 152 . 54 GLU H H 8.7525396 0.050 1 153 . 54 GLU C C 175.395904 0.140 1 154 . 54 GLU N N 119.718299 0.600 1 155 . 55 MET H H 9.0295401 0.050 1 156 . 55 MET C C 176.333663 0.140 1 157 . 55 MET N N 124.679931 0.600 1 158 . 56 LYS H H 8.6883202 0.050 1 159 . 56 LYS C C 175.727981 0.140 1 160 . 56 LYS N N 123.147071 0.600 1 161 . 57 ASN H H 8.5693398 0.050 1 162 . 57 ASN C C 174.292984 0.140 1 163 . 57 ASN N N 120.078331 0.600 1 164 . 58 HIS H H 8.3116503 0.050 1 165 . 58 HIS C C 173.049408 0.140 1 166 . 58 HIS N N 117.366722 0.600 1 167 . 59 ASP H H 8.3458099 0.050 1 168 . 59 ASP N N 126.417106 0.600 1 stop_ save_