data_25131 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H chemical shift assignment of Kindlin-2 F2 ; _BMRB_accession_number 25131 _BMRB_flat_file_name bmr25131.str _Entry_type original _Submission_date 2014-08-05 _Accession_date 2014-08-05 _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 Fukuda Koichi . . 2 Bledzka Kamila . . 3 Yang Jun . . 4 Perera H. D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-08-25 original author . stop_ _Original_release_date 2014-08-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'kindlin-2 F2 domain' _Citation_status 'in press' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fukuda Koichi . . 2 Bledzka Kamila . . 3 Yang Jun . . 4 Perera H. D. . 5 Edward Plow F. . 6 Qin Jun . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'Journal of Biological Chemistry' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Kindlin-2 F2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Kindlin-2 F2' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 2192.330 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 20 _Mol_residue_sequence SDKEVDEVDAALSDLEITLE loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 339 SER 2 340 ASP 3 341 LYS 4 342 GLU 5 343 VAL 6 344 ASP 7 345 GLU 8 346 VAL 9 347 ASP 10 348 ALA 11 349 ALA 12 350 LEU 13 351 SER 14 352 ASP 15 353 LEU 16 354 GLU 17 355 ILE 18 356 THR 19 357 LEU 20 358 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2MSU "Nmr Structure Of Kindlin-2 F2 339-358" 100.00 20 100.00 100.00 3.24e-02 PDB 4F7H "The Crystal Structure Of Kindlin-2 Pleckstrin Homology Domain In Free Form" 100.00 173 100.00 100.00 1.32e-01 DBJ BAE26194 "unnamed protein product [Mus musculus]" 100.00 680 100.00 100.00 8.91e-02 DBJ BAE38850 "unnamed protein product [Mus musculus]" 100.00 680 100.00 100.00 1.50e-01 DBJ BAF84427 "unnamed protein product [Homo sapiens]" 100.00 680 100.00 100.00 1.50e-01 EMBL CAA80852 "mitogen inducible gene mig-2 [Homo sapiens]" 100.00 720 100.00 100.00 7.62e-02 EMBL CAD61925 "unnamed protein product [Homo sapiens]" 100.00 633 100.00 100.00 1.01e-01 GB AAH17327 "Fermitin family homolog 2 (Drosophila) [Homo sapiens]" 100.00 680 100.00 100.00 1.50e-01 GB AAH33436 "Fermitin family homolog 2 (Drosophila) [Mus musculus]" 100.00 680 100.00 100.00 1.50e-01 GB AAH77819 "Plekhc1-prov protein [Xenopus laevis]" 100.00 687 100.00 100.00 1.01e-01 GB AAH83876 "Fermitin family homolog 2 (Drosophila) [Rattus norvegicus]" 100.00 680 100.00 100.00 1.42e-01 GB AAI51293 "FERMT2 protein [Bos taurus]" 100.00 680 100.00 100.00 1.45e-01 REF NP_001011915 "fermitin family homolog 2 [Rattus norvegicus]" 100.00 680 100.00 100.00 1.42e-01 REF NP_001086955 "fermitin family member 2 [Xenopus laevis]" 100.00 687 100.00 100.00 1.01e-01 REF NP_001094734 "fermitin family homolog 2 [Bos taurus]" 100.00 680 100.00 100.00 1.45e-01 REF NP_001128471 "fermitin family homolog 2 isoform 2 [Homo sapiens]" 100.00 687 100.00 100.00 1.33e-01 REF NP_001128472 "fermitin family homolog 2 isoform 3 [Homo sapiens]" 100.00 633 100.00 100.00 1.01e-01 SP Q8CIB5 "RecName: Full=Fermitin family homolog 2; AltName: Full=Kindlin-2; AltName: Full=Pleckstrin homology domain-containing family C " 100.00 680 100.00 100.00 1.50e-01 SP Q96AC1 "RecName: Full=Fermitin family homolog 2; AltName: Full=Kindlin-2; AltName: Full=Mitogen-inducible gene 2 protein; Short=MIG-2; " 100.00 680 100.00 100.00 1.50e-01 TPG DAA25234 "TPA: fermitin family homolog 2 [Bos taurus]" 100.00 680 100.00 100.00 1.45e-01 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'recombinant technology' . Escherichia coli . BL21(DE3) 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 HEPES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 2 mM 'natural abundance' $entity 2 mM 'natural abundance' 'ILK KLD/a-parvin CH2' 50 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XPLOR-NIH _Saveframe_category software _Name XPLOR-NIH _Version 2.25 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 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 273 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 100 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XPLOR-NIH stop_ loop_ _Experiment_label '2D NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Kindlin-2 F2' _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 1 340 2 ASP HA H 4.362 0.03 1 2 340 2 ASP HB2 H 2.455 0.03 1 3 340 2 ASP HB3 H 2.330 0.03 1 4 341 3 LYS H H 8.118 0.03 1 5 341 3 LYS HA H 4.009 0.03 1 6 341 3 LYS HB2 H 1.533 0.03 1 7 341 3 LYS HG2 H 1.148 0.03 1 8 341 3 LYS HD2 H 1.394 0.03 1 9 341 3 LYS HE2 H 2.712 0.03 1 10 342 4 GLU H H 8.297 0.03 1 11 342 4 GLU HA H 3.995 0.03 1 12 342 4 GLU HB2 H 1.770 0.03 1 13 342 4 GLU HB3 H 1.656 0.03 1 14 342 4 GLU HG2 H 2.023 0.03 1 15 342 4 GLU HG3 H 1.988 0.03 1 16 343 5 VAL H H 7.982 0.03 1 17 343 5 VAL HA H 3.806 0.03 1 18 343 5 VAL HB H 1.785 0.03 1 19 343 5 VAL HG1 H 0.650 0.03 1 20 344 6 ASP H H 8.220 0.03 1 21 344 6 ASP HA H 4.316 0.03 1 22 344 6 ASP HB2 H 2.432 0.03 1 23 344 6 ASP HB3 H 2.295 0.03 1 24 345 7 GLU H H 8.146 0.03 1 25 345 7 GLU HA H 3.997 0.03 1 26 345 7 GLU HB2 H 1.764 0.03 1 27 345 7 GLU HB3 H 1.657 0.03 1 28 345 7 GLU HG2 H 2.011 0.03 1 29 345 7 GLU HG3 H 1.949 0.03 1 30 346 8 VAL H H 8.041 0.03 1 31 346 8 VAL HA H 3.754 0.03 1 32 346 8 VAL HB H 1.783 0.03 1 33 346 8 VAL HG1 H 0.643 0.03 1 34 347 9 ASP H H 8.226 0.03 1 35 347 9 ASP HA H 4.272 0.03 1 36 347 9 ASP HB2 H 2.450 0.03 1 37 347 9 ASP HB3 H 2.309 0.03 1 38 348 10 ALA H H 8.154 0.03 1 39 348 10 ALA HA H 3.930 0.03 1 40 348 10 ALA HB H 1.114 0.03 1 41 349 11 ALA H H 8.088 0.03 1 42 349 11 ALA HA H 3.980 0.03 1 43 349 11 ALA HB H 1.113 0.03 1 44 350 12 LEU H H 7.854 0.03 1 45 350 12 LEU HA H 4.050 0.03 1 46 350 12 LEU HB2 H 1.416 0.03 1 47 350 12 LEU HG H 1.316 0.03 1 48 350 12 LEU HD1 H 0.663 0.03 1 49 350 12 LEU HD2 H 0.590 0.03 1 50 351 13 SER H H 7.983 0.03 1 51 351 13 SER HA H 4.130 0.03 1 52 351 13 SER HB2 H 3.586 0.03 1 53 352 14 ASP H H 8.123 0.03 1 54 352 14 ASP HA H 4.318 0.03 1 55 352 14 ASP HB2 H 2.441 0.03 1 56 352 14 ASP HB3 H 2.348 0.03 1 57 353 15 LEU H H 7.822 0.03 1 58 353 15 LEU HA H 4.012 0.03 1 59 353 15 LEU HB2 H 1.360 0.03 1 60 353 15 LEU HG H 1.288 0.03 1 61 353 15 LEU HD1 H 0.648 0.03 1 62 353 15 LEU HD2 H 0.584 0.03 1 63 354 16 GLU H H 8.118 0.03 1 64 354 16 GLU HA H 3.993 0.03 1 65 354 16 GLU HB2 H 1.745 0.03 1 66 354 16 GLU HB3 H 1.659 0.03 1 67 354 16 GLU HG2 H 1.988 0.03 1 68 354 16 GLU HG3 H 1.910 0.03 1 69 355 17 ILE H H 7.989 0.03 1 70 355 17 ILE HA H 3.931 0.03 1 71 355 17 ILE HB H 1.570 0.03 1 72 355 17 ILE HG12 H 1.200 0.03 1 73 355 17 ILE HG2 H 0.603 0.03 1 74 355 17 ILE HD1 H 0.895 0.03 1 75 356 18 THR H H 8.187 0.03 1 76 356 18 THR HA H 4.070 0.03 1 77 356 18 THR HB H 3.860 0.03 1 78 356 18 THR HG2 H 0.910 0.03 1 79 357 19 LEU H H 8.274 0.03 1 80 357 19 LEU HA H 4.115 0.03 1 81 357 19 LEU HB2 H 1.370 0.03 1 82 357 19 LEU HG H 1.330 0.03 1 83 357 19 LEU HD1 H 0.577 0.03 1 84 358 20 GLU H H 7.770 0.03 1 85 358 20 GLU HA H 3.815 0.03 1 86 358 20 GLU HB2 H 1.745 0.03 1 87 358 20 GLU HB3 H 1.590 0.03 1 88 358 20 GLU HG2 H 1.908 0.03 1 stop_ save_