data_4607 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure Determination and Mutational Analysis of the Papillomavirus E6-interacting Peptide of E6AP ; _BMRB_accession_number 4607 _BMRB_flat_file_name bmr4607.str _Entry_type original _Submission_date 2000-05-05 _Accession_date 2000-09-07 _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 Be X. . . 2 Hong Y. . . 3 Androphy E. J. . 4 Chen J. J. . 5 Baleja J. D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-03-08 original author . stop_ _Original_release_date 2001-03-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure Determination and Mutational Analysis of the Papillomavirus E6-interacting Peptide of E6AP ; _Citation_status published _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 Be X. . . 2 Hong Y. . . 3 Androphy E. J. . 4 Chen J. J. . 5 Baleja J. D. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 40 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1293 _Page_last . _Year 2001 _Details . loop_ _Keyword Peptide 'alpha helix' stop_ save_ ################################## # Molecular system description # ################################## save_system_PAPILLOMAVIRUS_E6-ASSOHIATED_PROTEIN _Saveframe_category molecular_system _Mol_system_name 'PAPILLOMAVIRUS E6-ASSOCIATED PROTEIN' _Abbreviation_common 'PAPILLOMAVIRUS E6-ASSOCIATED PROTEIN' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PAPILLOMAVIRUS E6-ASSOCIATED PROTEIN' $PAPILLOMAVIRUS_E6-ASSOCIATED_PROTEIN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PAPILLOMAVIRUS_E6-ASSOCIATED_PROTEIN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PAPILLOMAVIRUS E6-ASSOCIATED PROTEIN' _Abbreviation_common 'PAPILLOMAVIRUS E6-ASSOCIATED PROTEIN' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 18 _Mol_residue_sequence IPESSELTLQELLGEERR loop_ _Residue_seq_code _Residue_label 1 ILE 2 PRO 3 GLU 4 SER 5 SER 6 GLU 7 LEU 8 THR 9 LEU 10 GLN 11 GLU 12 LEU 13 LEU 14 GLY 15 GLU 16 GLU 17 ARG 18 ARG 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 1EQX "Solution Structure Determination And Mutational Analysis Of The Papillomavirus E6-Interacting Peptide Of E6ap" 100.00 18 100.00 100.00 2.24e-01 DBJ BAD69554 "ubiquitin ligase E3A isoform 1 [Homo sapiens]" 100.00 852 100.00 100.00 4.78e-01 DBJ BAE02425 "unnamed protein product [Macaca fascicularis]" 100.00 813 100.00 100.00 4.65e-01 DBJ BAF84094 "unnamed protein product [Homo sapiens]" 100.00 852 100.00 100.00 4.70e-01 DBJ BAF85203 "unnamed protein product [Homo sapiens]" 100.00 872 100.00 100.00 4.80e-01 DBJ BAK62564 "ubiquitin-protein ligase E3A [Pan troglodytes]" 100.00 585 100.00 100.00 5.01e-01 EMBL CAA04535 "E6-AP ubiquitin-protein ligase [Homo sapiens]" 100.00 415 100.00 100.00 3.75e-01 EMBL CAA66653 "E6-AP [Homo sapiens]" 100.00 852 100.00 100.00 4.70e-01 EMBL CAA66654 "E6-AP [Homo sapiens]" 100.00 852 100.00 100.00 4.70e-01 EMBL CAA66655 "E6-AP [Homo sapiens]" 100.00 852 100.00 100.00 4.70e-01 EMBL CAA66656 "E6-AP [Homo sapiens]" 100.00 852 100.00 100.00 4.70e-01 GB AAA35542 "oncogenic protein-associated protein, partial [Homo sapiens]" 100.00 874 100.00 100.00 4.76e-01 GB AAB49301 "E6-associated protein E6-AP/ubiquitin-protein ligase [Homo sapiens]" 100.00 852 100.00 100.00 4.70e-01 GB AAB69154 "E6-AP ubiquitin-protein ligase [Homo sapiens]" 100.00 852 100.00 100.00 4.70e-01 GB AAG34910 "CTCL tumor antigen se37-2 [Homo sapiens]" 100.00 852 100.00 100.00 4.70e-01 GB AAH02582 "Ubiquitin protein ligase E3A [Homo sapiens]" 100.00 872 100.00 100.00 4.80e-01 PIR A38920 "E6-associated protein - human (fragment)" 100.00 874 100.00 100.00 4.76e-01 REF NP_000453 "ubiquitin-protein ligase E3A isoform 2 [Homo sapiens]" 100.00 875 100.00 100.00 4.99e-01 REF NP_001007319 "ubiquitin-protein ligase E3A [Danio rerio]" 100.00 857 100.00 100.00 4.70e-01 REF NP_001126699 "ubiquitin-protein ligase E3A [Pongo abelii]" 100.00 852 100.00 100.00 4.78e-01 REF NP_001178766 "ubiquitin-protein ligase E3A [Rattus norvegicus]" 100.00 868 100.00 100.00 4.58e-01 REF NP_001230110 "ubiquitin-protein ligase E3A isoform 1 [Sus scrofa]" 100.00 875 100.00 100.00 4.85e-01 SP Q05086 "RecName: Full=Ubiquitin-protein ligase E3A; AltName: Full=E6AP ubiquitin-protein ligase; AltName: Full=Human papillomavirus E6-" 100.00 875 100.00 100.00 4.99e-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 $PAPILLOMAVIRUS_E6-ASSOCIATED_PROTEIN 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 $PAPILLOMAVIRUS_E6-ASSOCIATED_PROTEIN . . . . . . 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 $PAPILLOMAVIRUS_E6-ASSOCIATED_PROTEIN 2 mM . 'Na3PO4 buffer' 10 mM . TFE 40 % . H2O 60 % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.81 loop_ _Task 'Structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _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_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.2 . pH temperature 288 . K 'ionic strength' 30 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_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_citation_label _Correction_value_citation_label . H 1 . . . . . . . . $entry_citation $entry_citation 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_ref_1 _Mol_system_component_name 'PAPILLOMAVIRUS E6-ASSOCIATED PROTEIN' _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 . 1 ILE H H 7.91 . 1 2 . 1 ILE HA H 4.55 . 1 3 . 1 ILE HB H 1.95 . 1 4 . 1 ILE HG12 H 1.26 . 1 5 . 1 ILE HG13 H 1.63 . 2 6 . 1 ILE HG2 H 1.05 . 1 7 . 1 ILE HD1 H 0.96 . 1 8 . 2 PRO HA H 4.47 . 1 9 . 2 PRO HB2 H 2.04 . 2 10 . 2 PRO HB3 H 2.40 . 2 11 . 2 PRO HG2 H 2.17 . 2 12 . 2 PRO HG3 H 2.05 . 2 13 . 2 PRO HD2 H 3.79 . 2 14 . 2 PRO HD3 H 4.00 . 2 15 . 3 GLU H H 8.82 . 1 16 . 3 GLU HA H 4.35 . 1 17 . 3 GLU HB2 H 2.13 . 2 18 . 3 GLU HB3 H 2.19 . 2 19 . 3 GLU HG2 H 2.45 . 1 20 . 3 GLU HG3 H 2.45 . 1 21 . 4 SER H H 8.39 . 1 22 . 4 SER HA H 4.50 . 1 23 . 4 SER HB2 H 4.00 . 2 24 . 4 SER HB3 H 4.10 . 2 25 . 5 SER H H 8.48 . 1 26 . 5 SER HA H 4.48 . 1 27 . 5 SER HB2 H 4.02 . 2 28 . 5 SER HB3 H 4.08 . 2 29 . 6 GLU H H 8.61 . 1 30 . 6 GLU HA H 4.22 . 1 31 . 6 GLU HB2 H 2.18 . 1 32 . 6 GLU HB3 H 2.18 . 1 33 . 6 GLU HG2 H 2.42 . 1 34 . 6 GLU HG3 H 2.42 . 1 35 . 7 LEU H H 8.04 . 1 36 . 7 LEU HA H 4.31 . 1 37 . 7 LEU HB2 H 1.73 . 2 38 . 7 LEU HB3 H 1.85 . 2 39 . 7 LEU HG H 2.42 . 2 40 . 7 LEU HD1 H 0.98 . 2 41 . 7 LEU HD2 H 1.03 . 2 42 . 8 THR H H 8.01 . 1 43 . 8 THR HA H 4.21 . 1 44 . 8 THR HB H 4.46 . 2 45 . 8 THR HG2 H 1.36 . 1 46 . 9 LEU H H 8.25 . 1 47 . 9 LEU HA H 4.20 . 1 48 . 9 LEU HB2 H 1.76 . 2 49 . 9 LEU HB3 H 1.81 . 2 50 . 9 LEU HG H 1.90 . 1 51 . 9 LEU HD1 H 0.99 . 2 52 . 9 LEU HD2 H 1.02 . 2 53 . 10 GLN H H 8.25 . 1 54 . 10 GLN HA H 4.02 . 1 55 . 10 GLN HB2 H 2.23 . 2 56 . 10 GLN HB3 H 2.30 . 2 57 . 10 GLN HG2 H 1.93 . 1 58 . 10 GLN HG3 H 1.93 . 1 59 . 10 GLN HE21 H 7.47 . 2 60 . 10 GLN HE22 H 7.10 . 2 61 . 11 GLU H H 8.07 . 1 62 . 11 GLU HA H 4.21 . 1 63 . 11 GLU HB2 H 2.38 . 2 64 . 11 GLU HB3 H 2.42 . 2 65 . 11 GLU HG2 H 2.48 . 1 66 . 11 GLU HG3 H 2.48 . 1 67 . 12 LEU H H 8.33 . 1 68 . 12 LEU HA H 4.21 . 1 69 . 12 LEU HB2 H 1.99 . 1 70 . 12 LEU HB3 H 1.99 . 1 71 . 12 LEU HG H 1.88 . 1 72 . 12 LEU HD1 H 0.97 . 1 73 . 12 LEU HD2 H 0.97 . 1 74 . 13 LEU H H 8.60 . 1 75 . 13 LEU HA H 4.28 . 1 76 . 13 LEU HB2 H 1.87 . 1 77 . 13 LEU HB3 H 1.87 . 1 78 . 13 LEU HG H 1.59 . 1 79 . 13 LEU HD1 H 0.95 . 1 80 . 13 LEU HD2 H 0.95 . 1 81 . 14 GLY H H 8.06 . 1 82 . 14 GLY HA2 H 4.02 . 1 83 . 14 GLY HA3 H 4.02 . 1 84 . 15 GLU H H 8.19 . 1 85 . 15 GLU HA H 4.24 . 1 86 . 15 GLU HB2 H 2.24 . 1 87 . 15 GLU HB3 H 2.24 . 1 88 . 15 GLU HG2 H 2.45 . 1 89 . 15 GLU HG3 H 2.45 . 1 90 . 16 GLU H H 8.48 . 1 91 . 16 GLU HA H 4.24 . 1 92 . 16 GLU HB2 H 2.23 . 1 93 . 16 GLU HB3 H 2.23 . 1 94 . 16 GLU HG2 H 2.47 . 1 95 . 16 GLU HG3 H 2.47 . 1 96 . 17 ARG H H 8.04 . 1 97 . 17 ARG HA H 4.33 . 1 98 . 17 ARG HB2 H 1.99 . 1 99 . 17 ARG HB3 H 1.99 . 1 100 . 17 ARG HG2 H 1.78 . 2 101 . 17 ARG HG3 H 1.86 . 2 102 . 17 ARG HE H 7.38 . 1 103 . 17 ARG HD2 H 3.29 . 1 104 . 17 ARG HD3 H 3.29 . 1 105 . 18 ARG H H 8.00 . 1 106 . 18 ARG HA H 4.31 . 1 107 . 18 ARG HB2 H 1.99 . 1 108 . 18 ARG HB3 H 1.99 . 1 109 . 18 ARG HG2 H 1.75 . 2 110 . 18 ARG HG3 H 1.84 . 2 111 . 18 ARG HE H 7.50 . 1 112 . 18 ARG HD2 H 3.30 . 1 113 . 18 ARG HD3 H 3.30 . 1 stop_ save_