data_16551 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Specific motifs of the V-ATPase a2-subunit isoform interact with catalytic and regulatory domains of ARNO ; _BMRB_accession_number 16551 _BMRB_flat_file_name bmr16551.str _Entry_type new _Submission_date 2009-10-11 _Accession_date 2009-10-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'ARNO peptide from 375-400 amino acids with phosphorylated Ser392.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Merkulova Maria . . 2 Bakulina Anastasia . . 3 Thaker Youg R. . 4 'Gr ber' Gerhard . . 5 Marshansky Vladimir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 update BMRB 'update entry citation' 2010-06-03 update BMRB 'edit assembly name' 2010-02-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16550 'ARNO-(375-400) apo form' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Specific motifs of the V-ATPase a2-subunit isoform interact with catalytic and regulatory domains of ARNO.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20153292 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Merkulova Maria . . 2 Bakulina Anastasia . . 3 Thaker 'Youg Raj' . . 4 Gruber Gerhard . . 5 Marshansky Vladimir . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1797 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1398 _Page_last 1409 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ARNO-p _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ARNO-p(375-400) $ARNO-p(375-400) 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_ARNO-p(375-400) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ARNO-p(375-400) _Molecular_mass 3083 _Mol_thiol_state 'not available' loop_ _Biological_function 'Guanine nucleotide exchange factore (GEF) for small molecule GTPase,Arf6' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 26 _Mol_residue_sequence ; VSVDPFYEMLAARKKRIXVK KKQEQP ; loop_ _Residue_seq_code _Residue_label 1 VAL 2 SER 3 VAL 4 ASP 5 PRO 6 PHE 7 TYR 8 GLU 9 MET 10 LEU 11 ALA 12 ALA 13 ARG 14 LYS 15 LYS 16 ARG 17 ILE 18 SEP 19 VAL 20 LYS 21 LYS 22 LYS 23 GLN 24 GLU 25 GLN 26 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-10 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 REF XP_006643234 "PREDICTED: uncharacterized protein LOC102686510 [Lepisosteus oculatus]" 65.38 503 100.00 100.00 1.33e-01 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_SEP _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common PHOSPHOSERINE _BMRB_code . _PDB_code SEP _Standard_residue_derivative . _Molecular_mass 185.072 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:10:32 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? OG OG O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HXT HXT H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB OG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING OG P ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ARNO-p(375-400) 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 $ARNO-p(375-400) '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 $ARNO-p(375-400) . mM 1 2 'natural abundance' H20 90 % . . 'natural abundance' D20 10 % . . '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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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 temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 H 1 'methyl protons' ppm 0 internal direct . . . 1 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ARNO-p(375-400) _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 1 VAL HB H 2.268 0.001 1 2 1 1 VAL HG1 H 1.081 0.000 2 3 1 1 VAL HG2 H 0.976 0.000 2 4 2 2 SER H H 8.538 0.006 1 5 2 2 SER HA H 4.707 0.002 1 6 2 2 SER HB2 H 3.883 0.002 2 7 2 2 SER HB3 H 3.883 0.009 2 8 3 3 VAL H H 8.131 0.010 1 9 3 3 VAL HA H 4.261 0.011 1 10 3 3 VAL HB H 2.130 0.003 1 11 3 3 VAL HG1 H 0.979 0.002 2 12 4 4 ASP H H 8.287 0.004 1 13 4 4 ASP HA H 5.048 0.011 1 14 4 4 ASP HB2 H 2.966 0.074 2 15 4 4 ASP HB3 H 2.965 0.066 2 16 5 5 PRO HB2 H 2.343 0.003 2 17 5 5 PRO HB3 H 2.218 0.008 2 18 5 5 PRO HD2 H 3.919 0.061 2 19 5 5 PRO HD3 H 3.840 0.050 2 20 5 5 PRO HG2 H 1.978 0.006 2 21 5 5 PRO HG3 H 1.861 0.005 2 22 6 6 PHE H H 7.773 0.019 1 23 6 6 PHE HA H 4.363 0.016 1 24 6 6 PHE HB2 H 3.176 0.010 2 25 6 6 PHE HB3 H 3.049 0.014 2 26 6 6 PHE HD1 H 7.169 0.099 1 27 6 6 PHE HE1 H 7.194 0.049 1 28 6 6 PHE HZ H 6.944 0.002 1 29 7 7 TYR H H 7.544 0.025 1 30 7 7 TYR HA H 4.191 0.013 1 31 7 7 TYR HB2 H 3.189 0.007 2 32 7 7 TYR HB3 H 3.133 0.006 2 33 7 7 TYR HD1 H 7.061 0.146 1 34 7 7 TYR HE1 H 7.091 0.099 1 35 8 8 GLU H H 7.951 0.029 1 36 8 8 GLU HA H 4.071 0.017 1 37 8 8 GLU HB2 H 2.216 0.008 2 38 8 8 GLU HG2 H 2.547 0.006 2 39 9 9 MET H H 8.057 0.036 1 40 9 9 MET HA H 4.170 0.020 1 41 9 9 MET HB2 H 2.239 0.013 2 42 9 9 MET HB3 H 2.170 0.014 2 43 9 9 MET HG2 H 2.736 0.007 2 44 9 9 MET HG3 H 2.556 0.006 2 45 10 10 LEU H H 8.006 0.032 1 46 10 10 LEU HA H 4.020 0.008 1 47 10 10 LEU HB2 H 1.704 0.011 2 48 10 10 LEU HB3 H 1.553 0.011 2 49 10 10 LEU HD1 H 0.857 0.012 1 50 10 10 LEU HG H 1.505 0.079 1 51 11 11 ALA H H 8.284 0.052 1 52 11 11 ALA HA H 4.174 0.167 1 53 11 11 ALA HB H 1.431 0.006 1 54 12 12 ALA H H 8.097 0.044 1 55 12 12 ALA HA H 4.140 0.013 1 56 12 12 ALA HB H 1.587 0.008 1 57 13 13 ARG H H 8.108 0.037 1 58 13 13 ARG HA H 4.028 0.010 1 59 13 13 ARG HB2 H 2.027 0.011 2 60 13 13 ARG HB3 H 1.884 0.011 2 61 13 13 ARG HD2 H 3.187 0.001 2 62 13 13 ARG HD3 H 3.183 0.002 2 63 13 13 ARG HG2 H 1.699 0.001 2 64 13 13 ARG HG3 H 1.695 0.001 2 65 13 13 ARG HH11 H 7.173 0.012 2 66 14 14 LYS H H 8.219 0.185 1 67 14 14 LYS HA H 4.150 0.120 1 68 14 14 LYS HB2 H 1.783 0.006 2 69 14 14 LYS HB3 H 1.700 0.000 2 70 14 14 LYS HD2 H 1.618 0.000 2 71 14 14 LYS HD3 H 1.569 0.002 2 72 14 14 LYS HE2 H 3.037 0.101 2 73 14 14 LYS HG2 H 1.434 0.000 2 74 14 14 LYS HG3 H 1.426 0.001 2 75 15 15 LYS H H 8.254 0.011 1 76 15 15 LYS HA H 4.070 0.036 1 77 15 15 LYS HB2 H 2.027 0.009 2 78 15 15 LYS HB3 H 1.889 0.000 2 79 15 15 LYS HD2 H 1.719 0.015 2 80 15 15 LYS HD3 H 1.585 0.011 2 81 15 15 LYS HE2 H 3.188 0.000 2 82 15 15 LYS HE3 H 2.960 0.003 2 83 15 15 LYS HG2 H 1.488 0.000 2 84 15 15 LYS HG3 H 1.432 0.000 2 85 16 16 ARG H H 8.054 0.061 1 86 16 16 ARG HA H 4.087 0.033 1 87 16 16 ARG HB2 H 2.024 0.010 2 88 16 16 ARG HB3 H 1.879 0.011 2 89 16 16 ARG HD2 H 3.229 0.002 2 90 16 16 ARG HD3 H 3.222 0.006 2 91 16 16 ARG HG2 H 1.794 0.005 2 92 16 16 ARG HG3 H 1.716 0.000 2 93 16 16 ARG HH11 H 7.289 0.014 2 94 17 17 ILE H H 8.231 0.136 1 95 17 17 ILE HA H 4.105 0.237 1 96 17 17 ILE HB H 2.003 0.011 2 97 17 17 ILE HD1 H 0.880 0.024 1 98 17 17 ILE HG12 H 1.164 0.056 2 99 17 17 ILE HG13 H 0.984 0.004 2 100 17 17 ILE HG2 H 1.129 0.102 1 101 18 18 SER H H 8.141 0.103 1 102 18 18 SER HA H 4.419 0.018 1 103 18 18 SER HB2 H 3.879 0.010 2 104 18 18 SER HB3 H 3.858 0.002 2 105 19 19 VAL H H 8.115 0.131 1 106 19 19 VAL HA H 3.841 0.020 1 107 19 19 VAL HB H 2.227 0.008 1 108 19 19 VAL HG1 H 1.110 0.004 2 109 19 19 VAL HG2 H 0.992 0.003 2 110 20 20 LYS H H 8.273 0.123 1 111 20 20 LYS HA H 4.196 0.018 1 112 20 20 LYS HB2 H 1.880 0.095 2 113 20 20 LYS HB3 H 1.856 0.121 2 114 20 20 LYS HD2 H 1.621 0.000 2 115 20 20 LYS HE2 H 3.011 0.004 2 116 20 20 LYS HG2 H 1.547 0.000 2 117 20 20 LYS HG3 H 1.537 0.003 2 118 21 21 LYS H H 8.225 0.156 1 119 21 21 LYS HA H 4.225 0.037 1 120 21 21 LYS HB2 H 1.928 0.128 2 121 21 21 LYS HB3 H 1.962 0.005 2 122 21 21 LYS HD2 H 1.785 0.002 2 123 21 21 LYS HD3 H 1.652 0.000 2 124 21 21 LYS HE2 H 3.030 0.000 2 125 21 21 LYS HG2 H 1.559 0.000 2 126 21 21 LYS HG3 H 1.519 0.000 2 127 22 22 LYS H H 7.943 0.039 1 128 22 22 LYS HA H 4.277 0.013 1 129 22 22 LYS HB2 H 1.756 0.004 2 130 22 22 LYS HB3 H 1.982 0.000 2 131 22 22 LYS HD2 H 1.668 0.054 2 132 22 22 LYS HE2 H 3.100 0.047 2 133 22 22 LYS HG2 H 1.558 0.024 2 134 23 23 GLN H H 8.163 0.048 1 135 23 23 GLN HA H 4.295 0.013 1 136 23 23 GLN HB2 H 2.221 0.006 2 137 23 23 GLN HE21 H 7.343 0.007 2 138 23 23 GLN HE22 H 6.668 0.001 2 139 23 23 GLN HG2 H 2.537 0.076 2 140 23 23 GLN HG3 H 2.508 0.067 2 141 24 24 GLU H H 8.012 0.005 1 142 24 24 GLU HA H 4.592 0.155 1 143 24 24 GLU HB2 H 2.219 0.017 2 144 24 24 GLU HB3 H 2.102 0.024 2 145 24 24 GLU HG2 H 2.485 0.002 2 146 24 24 GLU HG3 H 2.563 0.000 2 147 25 25 GLN H H 7.988 0.014 1 148 25 25 GLN HA H 4.478 0.124 1 149 25 25 GLN HB2 H 2.212 0.009 2 150 25 25 GLN HB3 H 2.097 0.012 2 151 25 25 GLN HG2 H 2.497 0.000 2 152 25 25 GLN HG3 H 2.564 0.000 2 stop_ save_