data_27142 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 3Jcgn & 3Jcgc' scalar couplings for CUG-BP2 RRM3 Y428A mutant in complex with (5'-R(*UP*UP*UP*AP*A)-3') ; _BMRB_accession_number 27142 _BMRB_flat_file_name bmr27142.str _Entry_type original _Submission_date 2017-06-16 _Accession_date 2017-06-16 _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 'Diarra dit Konte' N. . . 2 Damberger F. F. . 3 Allain F. H.T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "coupling constants" 17 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-09-29 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27152 'CUGBP2 RRM3 H429A in complex with UUUAA RNA' 27153 'CUGBP2 RRM3 F455A in complex with UUUAA RNA' 27154 'CUGBP2 RRM3 wild type in complex with UGUGU RNA' 27155 'CUGBP2 RRM3 Y428A' 27156 'CUGBP2 RRM3 H429A' 27157 'CUGBP2 RRM3 F455A' stop_ _Original_release_date 2017-06-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Aromatic side-chain conformational switch on the surface of the RNA Recognition Motif enables RNA discrimination ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28935965 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Diarra Dit Konte' Nana . . 2 Krepl Miroslav . . 3 Damberger Fred F. . 4 Ripin Nina . . 5 Duss Olivier . . 6 Sponer Jiri . . 7 Allain 'Frederic H-T' H. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 8 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 654 _Page_last 654 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CUGBP2 RRM3 Y428A in complex with UUUAA RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 12842.679 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MQKEGPEGANLFIAHLPQEF GDQDILQMFMPFGNVISAKV FIDKQTNLSKCFGFVSYDNP VSAQAAIQAMNGFQIGMKRL KVQLKRSKNDSKPW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 395 MET 2 396 GLY 3 397 SER 4 398 SER 5 399 HIS 6 400 HIS 7 401 HIS 8 402 HIS 9 403 HIS 10 404 HIS 11 405 SER 12 406 SER 13 407 GLY 14 408 LEU 15 409 VAL 16 410 PRO 17 411 ARG 18 412 GLY 19 413 SER 20 414 HIS 21 415 MET 22 416 GLN 23 417 LYS 24 418 GLU 25 419 GLY 26 420 PRO 27 421 GLU 28 422 GLY 29 423 ALA 30 424 ASN 31 425 LEU 32 426 PHE 33 427 ILE 34 428 ALA 35 429 HIS 36 430 LEU 37 431 PRO 38 432 GLN 39 433 GLU 40 434 PHE 41 435 GLY 42 436 ASP 43 437 GLN 44 438 ASP 45 439 ILE 46 440 LEU 47 441 GLN 48 442 MET 49 443 PHE 50 444 MET 51 445 PRO 52 446 PHE 53 447 GLY 54 448 ASN 55 449 VAL 56 450 ILE 57 451 SER 58 452 ALA 59 453 LYS 60 454 VAL 61 455 PHE 62 456 ILE 63 457 ASP 64 458 LYS 65 459 GLN 66 460 THR 67 461 ASN 68 462 LEU 69 463 SER 70 464 LYS 71 465 CYS 72 466 PHE 73 467 GLY 74 468 PHE 75 469 VAL 76 470 SER 77 471 TYR 78 472 ASP 79 473 ASN 80 474 PRO 81 475 VAL 82 476 SER 83 477 ALA 84 478 GLN 85 479 ALA 86 480 ALA 87 481 ILE 88 482 GLN 89 483 ALA 90 484 MET 91 485 ASN 92 486 GLY 93 487 PHE 94 488 GLN 95 489 ILE 96 490 GLY 97 491 MET 98 492 LYS 99 493 ARG 100 494 LEU 101 495 LYS 102 496 VAL 103 497 GLN 104 498 LEU 105 499 LYS 106 500 ARG 107 501 SER 108 502 LYS 109 503 ASN 110 504 ASP 111 505 SER 112 506 LYS 113 507 PRO 114 508 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common entity_2 _Molecular_mass 1531.952 _Mol_thiol_state 'not present' _Details . _Residue_count 5 _Mol_residue_sequence ; UUUAA ; loop_ _Residue_seq_code _Residue_label 1 U 2 U 3 U 4 A 5 A 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'CELF2, BRUNOL3, CUGBP2, ETR3, NAPOR' $entity_2 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_1 'recombinant technology' . . . . pet28a+ $entity_2 '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_2 1.95 mM 0.9 3 non-labeled $entity_1 0.65 mM 0.3 1 '[U-99% 13C; U-99% 15N]' H2O 95 '% v/v' . . 'natural abundance' D2O 5 '% v/v' . . 'natural abundance' 'potassium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 10 mM . . 'natural abundance' beta-mercaptoethanol 10 mM . . 'natural abundance' DEPC 0.1 '% v/v' . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AvanceIII HD' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_spin-echo_difference_constant_time_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'spin-echo difference constant time 15N-HSQC' _Sample_label $sample_1 save_ save_spin-echo_difference_constant_time_HN(CO)CG_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'spin-echo difference constant time HN(CO)CG' _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 'ionic strength' 130 . mM pH 5.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 C 13 'methyl protons' ppm 0.000 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.10132912 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_1 _Saveframe_category coupling_constants _Details . loop_ _Experiment_label 'spin-echo difference constant time 15N-HSQC' 'spin-echo difference constant time HN(CO)CG' stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name entity_1 _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 3JCGN 32 PHE CG 32 PHE N 0.62 . . 0.19 2 3JCGN 35 HIS CG 35 HIS N 0.33 . . 0.15 3 3JCGN 40 PHE CG 40 PHE N 0.6 . . 0.06 4 3JCGN 49 PHE CG 49 PHE N 0.56 . . 0.16 5 3JCGN 52 PHE CG 52 PHE N 0.22 . . 0.11 6 3JCGN 61 PHE CG 61 PHE N 0.54 . . 0.09 7 3JCGN 77 TYR CG 77 TYR N 1.45 . . 0.06 8 3JCGC 32 PHE CG 32 PHE C 0.51 . . 0.16 9 3JCGC 35 HIS CG 35 HIS C 2.65 . . 0.11 10 3JCGC 40 PHE CG 40 PHE C 3.26 . . 0.46 11 3JCGC 49 PHE CG 49 PHE C 3.89 . . 0.2 12 3JCGC 52 PHE CG 52 PHE C 5.09 . . 0.05 13 3JCGC 61 PHE CG 61 PHE C 3.23 . . 0.38 14 3JCGC 72 PHE CG 72 PHE C 4.57 . . 0.12 15 3JCGC 74 PHE CG 74 PHE C 3.91 . . 0.15 16 3JCGC 77 TYR CG 77 TYR C 3.85 . . 0.38 17 3JCGC 93 PHE CG 93 PHE C 1.88 . . 0.45 stop_ save_