data_27155
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
3Jcgn & 3Jcgc' scalar couplings for CUG-BP2 RRM3 Y428A mutant
;
_BMRB_accession_number 27155
_BMRB_flat_file_name bmr27155.str
_Entry_type original
_Submission_date 2017-06-21
_Accession_date 2017-06-21
_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" 18
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2017-09-29 original BMRB .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
27142 'CUGBP2 RRM3 Y428A in complex with UUUAA RNA'
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'
27156 'CUGBP2 RRM3 H429A'
27157 'CUGBP2 RRM3 F455A'
stop_
_Original_release_date 2017-06-22
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'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity_1 $entity_1
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 .
_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_
####################
# 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'
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' . Escherichia coli . pet28a+
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_1 0.6 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 2.16 . . 0.04
2 3JCGN 35 HIS CG 35 HIS N 0.46 . . 0.08
3 3JCGN 40 PHE CG 40 PHE N 0.53 . . 0.03
4 3JCGN 49 PHE CG 49 PHE N 0.18 . . 0.06
5 3JCGN 52 PHE CG 52 PHE N 0.56 . . 0.04
6 3JCGN 74 PHE CG 74 PHE N 0.43 . . 0.16
7 3JCGN 77 TYR CG 77 TYR N 0.21 . . 0.1
8 3JCGN 93 PHE CG 93 PHE N 2.31 . . 0.05
9 3JCGC 32 PHE CG 32 PHE C 0.87 . . 0.37
10 3JCGC 35 HIS CG 35 HIS C 4.95 . . 0.09
11 3JCGC 40 PHE CG 40 PHE C 3.54 . . 0.72
12 3JCGC 49 PHE CG 49 PHE C 4.23 . . 0.03
13 3JCGC 52 PHE CG 52 PHE C 3.87 . . 0.06
14 3JCGC 61 PHE CG 61 PHE C 1.79 . . 0.74
15 3JCGC 72 PHE CG 72 PHE C 1.32 . . 0.31
16 3JCGC 74 PHE CG 74 PHE C 3.2 . . 0.18
17 3JCGC 77 TYR CG 77 TYR C 3.24 . . 0.07
18 3JCGC 93 PHE CG 93 PHE C 0.55 . . 0.16
stop_
save_