data_4635 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the interacting domains of the Mad-Sin3 complex: implications for recruitment of a chromatin-modifying complex ; _BMRB_accession_number 4635 _BMRB_flat_file_name bmr4635.str _Entry_type original _Submission_date 2000-10-11 _Accession_date 2001-03-10 _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 Brubaker K. . . 2 Cowley S. M. . 3 Huang K. . . 4 Eisenman R. N. . 5 Radhakrishnan I. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "coupling constants" 72 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-05-07 original author . stop_ _Original_release_date 2001-05-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the interacting domains of the Mad-Sin3 complex: implications for recruitment of a chromatin-modifying complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11106735 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brubaker K. . . 2 Cowley S. M. . 3 Huang K. . . 4 Loo L. . . 5 Yochum G. S. . 6 Ayer D. E. . 7 Eisenman R. N. . 8 Radhakrishnan I. . . stop_ _Journal_abbreviation Cell _Journal_volume 103 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 655 _Page_last 665 _Year 2000 _Details . loop_ _Keyword 'Four-helix bundle' 'Protein-peptide Complex' stop_ save_ ################################## # Molecular system description # ################################## save_system_MAD1_SIN3A _Saveframe_category molecular_system _Mol_system_name 'MAD1 PROTEIN/SIN3A' _Abbreviation_common 'MAD1 PROTEIN/SIN3A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MAD1 SID domain' $MAD1 'mSin3A PAH2 Domain' $SIN3A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state complex _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MAD1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'MAD1 SID domain' _Abbreviation_common 'MAD1 SID domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 16 _Mol_residue_sequence RMNIQMLLEAADYLER loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 6 ARG 2 7 MET 3 8 ASN 4 9 ILE 5 10 GLN 6 11 MET 7 12 LEU 8 13 LEU 9 14 GLU 10 15 ALA 11 16 ALA 12 17 ASP 13 18 TYR 14 19 LEU 15 20 GLU 16 21 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 1G1E "Nmr Structure Of The Human Mad1 Transrepression Domain Sid In Complex With Mammalian Sin3a Pah2 Domain" 100.00 16 100.00 100.00 6.53e-01 PDB 1PD7 "Extended Sid Of Mad1 Bound To The Pah2 Domain Of Msin3b" 100.00 24 100.00 100.00 5.52e-01 PDB 1S5Q "Solution Structure Of Mad1 Sid-Msin3a Pah2 Complex" 100.00 16 100.00 100.00 6.53e-01 DBJ BAG35605 "unnamed protein product [Homo sapiens]" 100.00 221 100.00 100.00 8.14e-01 DBJ BAG73371 "MAX dimerization protein 1 [synthetic construct]" 100.00 221 100.00 100.00 8.14e-01 DBJ BAH13406 "unnamed protein product [Homo sapiens]" 100.00 105 100.00 100.00 3.30e-01 EMBL CAG38734 "MAD [Homo sapiens]" 100.00 221 100.00 100.00 8.14e-01 EMBL CAG46493 "MAD [Homo sapiens]" 100.00 221 100.00 100.00 8.14e-01 GB AAA36194 "antagonizer of myc transcriptional activity [Homo sapiens]" 100.00 221 100.00 100.00 8.14e-01 GB AAH69377 "MAX dimerization protein 1 [Homo sapiens]" 100.00 221 100.00 100.00 8.14e-01 GB AAH69433 "MAX dimerization protein 1 [Homo sapiens]" 100.00 221 100.00 100.00 8.14e-01 GB AAH98396 "MAX dimerization protein 1 [Homo sapiens]" 100.00 221 100.00 100.00 8.14e-01 GB AAI13532 "MAX dimerization protein 1 [Homo sapiens]" 100.00 221 100.00 100.00 8.14e-01 REF NP_001179309 "max dimerization protein 1 [Bos taurus]" 100.00 222 100.00 100.00 7.94e-01 REF NP_001189442 "max dimerization protein 1 isoform 2 [Homo sapiens]" 100.00 220 100.00 100.00 7.94e-01 REF NP_001189443 "max dimerization protein 1 isoform 3 [Homo sapiens]" 100.00 211 100.00 100.00 7.83e-01 REF NP_001247787 "max dimerization protein 1 [Macaca mulatta]" 100.00 221 100.00 100.00 8.30e-01 REF NP_002348 "max dimerization protein 1 isoform 1 [Homo sapiens]" 100.00 221 100.00 100.00 8.14e-01 SP Q05195 "RecName: Full=Max dimerization protein 1; Short=Max dimerizer 1; AltName: Full=Protein MAD" 100.00 221 100.00 100.00 8.14e-01 TPG DAA24557 "TPA: MAX dimerization protein 1-like [Bos taurus]" 100.00 222 100.00 100.00 7.94e-01 stop_ save_ save_SIN3A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'mSin3A PAH2 Domain' _Abbreviation_common 'mSin3A PAH2 Domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 89 _Mol_residue_sequence ; SLQNNQPVEFNHAINYVNKI KNRFQGQPDIYKAFLEILHT YQKEQRNAKEAGGNYTPALT EQEVYAQVARLFKNQEDLLS EFGQFLPDA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 295 SER 2 296 LEU 3 297 GLN 4 298 ASN 5 299 ASN 6 300 GLN 7 301 PRO 8 302 VAL 9 303 GLU 10 304 PHE 11 305 ASN 12 306 HIS 13 307 ALA 14 308 ILE 15 309 ASN 16 310 TYR 17 311 VAL 18 312 ASN 19 313 LYS 20 314 ILE 21 315 LYS 22 316 ASN 23 317 ARG 24 318 PHE 25 319 GLN 26 320 GLY 27 321 GLN 28 322 PRO 29 323 ASP 30 324 ILE 31 325 TYR 32 326 LYS 33 327 ALA 34 328 PHE 35 329 LEU 36 330 GLU 37 331 ILE 38 332 LEU 39 333 HIS 40 334 THR 41 335 TYR 42 336 GLN 43 337 LYS 44 338 GLU 45 339 GLN 46 340 ARG 47 341 ASN 48 342 ALA 49 343 LYS 50 344 GLU 51 345 ALA 52 346 GLY 53 347 GLY 54 348 ASN 55 349 TYR 56 350 THR 57 351 PRO 58 352 ALA 59 353 LEU 60 354 THR 61 355 GLU 62 356 GLN 63 357 GLU 64 358 VAL 65 359 TYR 66 360 ALA 67 361 GLN 68 362 VAL 69 363 ALA 70 364 ARG 71 365 LEU 72 366 PHE 73 367 LYS 74 368 ASN 75 369 GLN 76 370 GLU 77 371 ASP 78 372 LEU 79 373 LEU 80 374 SER 81 375 GLU 82 376 PHE 83 377 GLY 84 378 GLN 85 379 PHE 86 380 LEU 87 381 PRO 88 382 ASP 89 383 ALA stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 1S5R 'Solution Structure Of Hbp1 Sid-Msin3a Pah2 Complex' 100.00 89 100.00 100.00 1.21e-44 GenBank AAK95854 'transcriptional co-repressor Sin3A [Homo sapiens]' 100.00 621 100.00 100.00 3.89e-46 PDB 1G1E 'Nmr Structure Of The Human Mad1 Transrepression Domain Sid In Complex With Mammalian Sin3a Pah2 Domain' 100.00 89 100.00 100.00 1.21e-44 PDB 1S5Q 'Solution Structure Of Mad1 Sid-Msin3a Pah2 Complex' 100.00 89 100.00 100.00 1.21e-44 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MAD1 . . . . . . $SIN3A . . . . . . 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 $SIN3A 'recombinant technology' 'E. coli' . . BL21(DE3) pET-24a(+) $MAD1 'chemical synthesis' . . . . . 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 $MAD1 1.0 mM . $SIN3A 1.0 mM [U-15N] H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MAD1 1.6 mM . $SIN3A 1.6 mM '[U-15N; U-13C]' H2O 90 % . D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MAD1 1.6 mM . $SIN3A 1.6 mM '[U-15N; U-13C]' H2O 90 % . D2O 10 % . 'phosphate buffer' 20 mM . NaN3 0.2 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MAD1 1.6 mM . $SIN3A 1.6 mM '[U-15N; U-13C]' D2O 100 % . 'phosphate buffer' 20 mM . NaN3 0.2 % . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 98 loop_ _Task processing 'data analysis' stop_ _Details 'Molecular Simulations' save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details 'Guntert, Wuthrich' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.0 loop_ _Task refinement stop_ _Details Brunger 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_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_HNHA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_2D_13C,15N-double-half-filtered_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C,15N-double-half-filtered NOESY' _Sample_label . save_ save_2D_13C-double-half-filtered_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C-double-half-filtered NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated_NOESY' _Sample_label . save_ save_3D_HACAHB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HACAHB' _Sample_label . save_ save_3D_HNHB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH temperature 300 . K 'ionic strength' 20 . mM pressure 1 . atm stop_ save_ ######################## # Coupling constants # ######################## save_JHNHA _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name 'mSin3A PAH2 Domain' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 3 GLN H 3 GLN HA 5.82 . . 0.40 2 3JHNHA 4 ASN H 4 ASN HA 7.64 . . 0.40 3 3JHNHA 5 ASN H 5 ASN HA 6.91 . . 0.40 4 3JHNHA 6 GLN H 6 GLN HA 7.23 . . 0.40 5 3JHNHA 8 VAL H 8 VAL HA 4.76 . . 0.40 6 3JHNHA 9 GLU H 9 GLU HA 4.83 . . 0.40 7 3JHNHA 10 PHE H 10 PHE HA 4.40 . . 0.40 8 3JHNHA 11 ASN H 11 ASN HA 4.00 . . 0.40 9 3JHNHA 13 ALA H 13 ALA HA 4.93 . . 0.40 10 3JHNHA 14 ILE H 14 ILE HA 3.27 . . 0.40 11 3JHNHA 15 ASN H 15 ASN HA 3.77 . . 0.40 12 3JHNHA 16 TYR H 16 TYR HA 4.50 . . 0.40 13 3JHNHA 17 VAL H 17 VAL HA 4.27 . . 0.40 14 3JHNHA 18 ASN H 18 ASN HA 3.83 . . 0.40 15 3JHNHA 20 ILE H 20 ILE HA 4.29 . . 0.40 16 3JHNHA 21 LYS H 21 LYS HA 2.98 . . 0.40 17 3JHNHA 22 ASN H 22 ASN HA 4.99 . . 0.40 18 3JHNHA 23 ARG H 23 ARG HA 3.33 . . 0.40 19 3JHNHA 24 PHE H 24 PHE HA 8.75 . . 0.40 20 3JHNHA 25 GLN H 25 GLN HA 2.38 . . 0.40 21 3JHNHA 27 GLN H 27 GLN HA 8.96 . . 0.40 22 3JHNHA 29 ASP H 29 ASP HA 4.78 . . 0.40 23 3JHNHA 30 ILE H 30 ILE HA 5.52 . . 0.40 24 3JHNHA 31 TYR H 31 TYR HA 5.10 . . 0.40 25 3JHNHA 32 LYS H 32 LYS HA 4.02 . . 0.40 26 3JHNHA 33 ALA H 33 ALA HA 3.54 . . 0.40 27 3JHNHA 34 PHE H 34 PHE HA 3.57 . . 0.40 28 3JHNHA 35 LEU H 35 LEU HA 3.81 . . 0.40 29 3JHNHA 36 GLU H 36 GLU HA 4.08 . . 0.40 30 3JHNHA 37 ILE H 37 ILE HA 4.39 . . 0.40 31 3JHNHA 38 LEU H 38 LEU HA 4.13 . . 0.40 32 3JHNHA 39 HIS H 39 HIS HA 3.86 . . 0.40 33 3JHNHA 40 THR H 40 THR HA 4.62 . . 0.40 34 3JHNHA 41 TYR H 41 TYR HA 3.57 . . 0.40 35 3JHNHA 42 GLN H 42 GLN HA 3.48 . . 0.40 36 3JHNHA 43 LYS H 43 LYS HA 4.37 . . 0.40 37 3JHNHA 46 ARG H 46 ARG HA 4.96 . . 0.40 38 3JHNHA 47 ASN H 47 ASN HA 4.02 . . 0.40 39 3JHNHA 48 ALA H 48 ALA HA 3.15 . . 0.40 40 3JHNHA 49 LYS H 49 LYS HA 5.32 . . 0.40 41 3JHNHA 54 ASN H 54 ASN HA 6.91 . . 0.40 42 3JHNHA 55 TYR H 55 TYR HA 6.83 . . 0.40 43 3JHNHA 56 THR H 56 THR HA 8.14 . . 0.40 44 3JHNHA 59 LEU H 59 LEU HA 6.80 . . 0.40 45 3JHNHA 60 THR H 60 THR HA 8.00 . . 0.40 46 3JHNHA 61 GLU H 61 GLU HA 3.15 . . 0.40 47 3JHNHA 62 GLN H 62 GLN HA 4.13 . . 0.40 48 3JHNHA 63 GLU H 63 GLU HA 6.02 . . 0.40 49 3JHNHA 64 VAL H 64 VAL HA 4.41 . . 0.40 50 3JHNHA 65 TYR H 65 TYR HA 3.31 . . 0.40 51 3JHNHA 66 ALA H 66 ALA HA 4.03 . . 0.40 52 3JHNHA 67 GLN H 67 GLN HA 5.27 . . 0.40 53 3JHNHA 68 VAL H 68 VAL HA 5.21 . . 0.40 54 3JHNHA 69 ALA H 69 ALA HA 2.76 . . 0.80 55 3JHNHA 70 ARG H 70 ARG HA 5.30 . . 0.40 56 3JHNHA 71 LEU H 71 LEU HA 4.41 . . 0.40 57 3JHNHA 72 PHE H 72 PHE HA 7.56 . . 0.40 58 3JHNHA 73 LYS H 73 LYS HA 2.44 . . 0.40 59 3JHNHA 74 ASN H 74 ASN HA 7.15 . . 0.40 60 3JHNHA 75 GLN H 75 GLN HA 8.56 . . 0.40 61 3JHNHA 76 GLU H 76 GLU HA 2.36 . . 0.80 62 3JHNHA 77 ASP H 77 ASP HA 5.20 . . 0.40 63 3JHNHA 78 LEU H 78 LEU HA 2.62 . . 0.80 64 3JHNHA 79 LEU H 79 LEU HA 5.01 . . 0.40 65 3JHNHA 80 SER H 80 SER HA 3.42 . . 0.40 66 3JHNHA 81 GLU H 81 GLU HA 3.92 . . 0.80 67 3JHNHA 82 PHE H 82 PHE HA 3.02 . . 0.40 68 3JHNHA 84 GLN H 84 GLN HA 5.22 . . 0.40 69 3JHNHA 85 PHE H 85 PHE HA 8.55 . . 0.40 70 3JHNHA 86 LEU H 86 LEU HA 8.05 . . 0.40 71 3JHNHA 88 ASP H 88 ASP HA 7.48 . . 0.40 72 3JHNHA 89 ALA H 89 ALA HA 6.47 . . 0.40 stop_ save_