data_27534 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of PALB2 Colied-coil Domain (PALB2cc) ; _BMRB_accession_number 27534 _BMRB_flat_file_name bmr27534.str _Entry_type original _Submission_date 2018-07-05 _Accession_date 2018-07-05 _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 Song Fei . . 2 Li Minxing . . 3 Liu Gaohua . . 4 Swapna G.V.T. . . 5 Xia Bing . . 6 Bunting Samuel F. . 7 Montelione Gaetano T. . stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-24 update BMRB 'update entry citation' 2018-11-16 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 30493 'chemical shift assignment' stop_ _Original_release_date 2018-07-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Antiparallel Coiled-Coil Interactions Mediate the Homodimerization of the DNA Damage-Repair Protein PALB2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30289697 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Fei . . 2 Li Minxing . . 3 Liu Gaohua . . 4 Swapna G.V.T. . . 5 Daigham Nourhan S. . 6 Xia Bing . . 7 Montelione Gaetano T. . 8 Bunting Samuel F. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 57 _Journal_issue 47 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6581 _Page_last 6591 _Year 2018 _Details . loop_ _Keyword Antiparallel 'Coiled coil' 'Homologous recombination' PALB2 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PALB2cc _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PALB2cc, chain 1' $PALB2cc 'PALB2cc, chain 2' $PALB2cc stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'The two chains of the homodimer are oriented anti-parallel to each other.' save_ ######################## # Monomeric polymers # ######################## save_PALB2cc _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PALB2cc _Molecular_mass 7926.10 _Mol_thiol_state 'not present' loop_ _Biological_function 'DNA damage Repair protein; PALB2 = Partner and localizer of BRCA2' 'coiled-coil domain interacts with BRCA1 as part of the BRCA2-PALB2-BRCA1 DNA repair complex' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; MEELSGKPLSYAEKEKLKEK LAFLKKEYSRTLARLQRAKR AEKAKNSKKAIEDGVPQPEA LEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 GLU 4 LEU 5 SER 6 GLY 7 LYS 8 PRO 9 LEU 10 SER 11 TYR 12 ALA 13 GLU 14 LYS 15 GLU 16 LYS 17 LEU 18 LYS 19 GLU 20 LYS 21 LEU 22 ALA 23 PHE 24 LEU 25 LYS 26 LYS 27 GLU 28 TYR 29 SER 30 ARG 31 THR 32 LEU 33 ALA 34 ARG 35 LEU 36 GLN 37 ARG 38 ALA 39 LYS 40 ARG 41 ALA 42 GLU 43 LYS 44 ALA 45 LYS 46 ASN 47 SER 48 LYS 49 LYS 50 ALA 51 ILE 52 GLU 53 ASP 54 GLY 55 VAL 56 PRO 57 GLN 58 PRO 59 GLU 60 ALA 61 LEU 62 GLU 63 HIS 64 HIS 65 HIS 66 HIS 67 HIS 68 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PALB2cc Mouse 10090 Eukaryota Metazoa Mus musculus 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 $PALB2cc 'recombinant technology' . Escherichia coli . pET21-NESG 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 $PALB2cc 1.2 mM '[U-100% 13C; U-100% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' DSS 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 1:2 sample of 13C,15N enriched to unlabeled (natural abundance) protein. This sample used to identify the dimer interface in PALB2cc using 13C filtered NOESY experiments ( pulse sequence: noesyhsqcgpwgx13d). ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PALB2cc 1 X '[U-100% 13C; U-100% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' DSS 10 % 'natural abundance' PALB2cc 2 X '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 processing 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 processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task Processing 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Autoassign _Saveframe_category software _Name Autoassign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_AVS _Saveframe_category software _Name AVS _Version . loop_ _Vendor _Address _Electronic_address 'Moseley and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task validation stop_ _Details . save_ save_xeasy _Saveframe_category software _Name xeasy _Version . loop_ _Vendor _Address _Electronic_address 'C. Bartels, T.-h. Xia, M. Billeter, P. Guntert, and K. Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details cryo-probe save_ ############################# # NMR applied experiments # ############################# save_2D_TROSY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TROSY-HSQC' _Sample_label $sample_1 save_ save_3D_TROSY-HNCOCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCOCA' _Sample_label $sample_1 save_ save_3D_TROSY-HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_TROSY-HNCOCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCOCACB' _Sample_label $sample_1 save_ save_3D_TROSY-HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $sample_1 save_ save_3D_TROSY-HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_1 save_ save_3D_TROSY-HBHACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HBHACONH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_AROMATIC_CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'AROMATIC CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H_13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H 13C NOESY' _Sample_label $sample_1 save_ save_3D_simultaneous_13C-aromatic,13C-aliphatic,15N_edited_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simultaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_X-filtered_noesy_(pulse_sequence:_noesyhsqcgpwgx13d)_15 _Saveframe_category NMR_applied_experiment _Experiment_name 'X-filtered noesy (pulse sequence: noesyhsqcgpwgx13d)' _Sample_label $sample_2 save_ save_2D_TROSY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D TROSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_1H-13C_HSQC_aliphatic _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HNCOCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCOCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HNCA _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HNCOCACB _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCOCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HNCO _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_TROSY-HBHACONH _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HBHACONH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_CCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_AROMATIC_CCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name 'AROMATIC CCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_1H_13C_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H 13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simultaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_1H-13C_NOESY_aromatic _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _BMRB_pulse_sequence_accession_number . _Details . save_ save_X-filtered_noesy_(pulse_sequence_noesyhsqcgpwgx13d) _Saveframe_category NMR_applied_experiment _Experiment_name 'X-filtered noesy (pulse sequence: noesyhsqcgpwgx13d)' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.5 . pH pressure 1 . atm temperature 273 . K stop_ save_