data_17100 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Dynamics of the C-terminal SH2 Domain of the p85alpha Subunit of Phosphoinositide 3-kinase: Effect of Phosphotyrosine-Peptide Binding and Characterization of Slow Conformational Exchange Processes ; _BMRB_accession_number 17100 _BMRB_flat_file_name bmr17100.str _Entry_type original _Submission_date 2010-08-02 _Accession_date 2010-08-02 _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 Kristensen Soren M. . 2 Siegal Gregg . . 3 Sankar Andrew . . 4 Driscoll Paul C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count chemical_rates 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-10 original author . stop_ _Original_release_date 2010-11-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone Dynamics of the C-terminal SH2 Domain of the p85alpha Subunit of Phosphoinositide 3-Kinase: Effect of Slow Conformational Exchange Processes' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10835283 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kristensen Soren M. . 2 Siegal Gregg . . 3 Sankar Andrew . . 4 Driscoll Paul C. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 299 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 771 _Page_last 788 _Year 2000 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'P85ALPHA/pY complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label P85ALPHA $P85ALPHA pY $PTR 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_P85ALPHA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common P85ALPHA _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; MEDLPHHDEKTWNVGSSNRN KAENLLRGKRDGTFLVRESS KQGCYACSVVVDGEVKHCVI NKTATGYGFAEPYNLYSSLK ELVLHYQHTSLVQHNDSLNV TLAYPVYAQQRR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ASP 4 LEU 5 PRO 6 HIS 7 HIS 8 ASP 9 GLU 10 LYS 11 THR 12 TRP 13 ASN 14 VAL 15 GLY 16 SER 17 SER 18 ASN 19 ARG 20 ASN 21 LYS 22 ALA 23 GLU 24 ASN 25 LEU 26 LEU 27 ARG 28 GLY 29 LYS 30 ARG 31 ASP 32 GLY 33 THR 34 PHE 35 LEU 36 VAL 37 ARG 38 GLU 39 SER 40 SER 41 LYS 42 GLN 43 GLY 44 CYS 45 TYR 46 ALA 47 CYS 48 SER 49 VAL 50 VAL 51 VAL 52 ASP 53 GLY 54 GLU 55 VAL 56 LYS 57 HIS 58 CYS 59 VAL 60 ILE 61 ASN 62 LYS 63 THR 64 ALA 65 THR 66 GLY 67 TYR 68 GLY 69 PHE 70 ALA 71 GLU 72 PRO 73 TYR 74 ASN 75 LEU 76 TYR 77 SER 78 SER 79 LEU 80 LYS 81 GLU 82 LEU 83 VAL 84 LEU 85 HIS 86 TYR 87 GLN 88 HIS 89 THR 90 SER 91 LEU 92 VAL 93 GLN 94 HIS 95 ASN 96 ASP 97 SER 98 LEU 99 ASN 100 VAL 101 THR 102 LEU 103 ALA 104 TYR 105 PRO 106 VAL 107 TYR 108 ALA 109 GLN 110 GLN 111 ARG 112 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 1BFI "Solution Structure Of The C-Terminal Sh2 Domain Of The P85alpha Regulatory Subunit Of Phosphoinositide 3-Kinase, Nmr, 30 Struct" 100.00 112 100.00 100.00 1.79e-77 PDB 1BFJ "Solution Structure Of The C-Terminal Sh2 Domain Of The P85alpha Regulatory Subunit Of Phosphoinositide 3-Kinase, Nmr, Minimized" 100.00 112 100.00 100.00 1.79e-77 PDB 1H9O "Phosphatidylinositol 3-Kinase, P85-Alpha Subunit: C-Terminal Sh2 Domain Complexed With A Tyr751 Phosphopeptide From The Pdgf Re" 97.32 112 99.08 100.00 2.11e-74 PDB 1PIC "Phosphatidylinositol 3-Kinase, P85-Alpha Subunit: C- Terminal Sh2 Domain Complexed With A Tyr751 Phosphopeptide From The Pdgf R" 97.32 112 99.08 100.00 2.11e-74 PDB 1QAD "Crystal Structure Of The C-Terminal Sh2 Domain Of The P85 Alpha Regulatory Subunit Of Phosphoinositide 3-Kinase: An Sh2 Domain " 99.11 111 100.00 100.00 2.08e-76 DBJ BAE37914 "unnamed protein product [Mus musculus]" 94.64 106 100.00 100.00 6.05e-72 stop_ save_ ############# # Ligands # ############# save_PTR _Saveframe_category ligand _Mol_type "non-polymer (L-PEPTIDE LINKING)" _Name_common "PTR (O-PHOSPHOTYROSINE)" _BMRB_code . _PDB_code PTR _Molecular_mass 261.168 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 2 13:58:46 2011 ; 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 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD1 CD1 C . 0 . ? CD2 CD2 C . 0 . ? CE1 CE1 C . 0 . ? CE2 CE2 C . 0 . ? CZ CZ C . 0 . ? OH OH O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? H H H . 0 . ? HN2 HN2 H . 0 . ? HA HA H . 0 . ? HXT HXT H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HD1 HD1 H . 0 . ? HD2 HD2 H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HO2P HO2P H . 0 . ? HO3P HO3P 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 HN2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? DOUB CG CD1 ? ? SING CG CD2 ? ? SING CD1 CE1 ? ? SING CD1 HD1 ? ? DOUB CD2 CE2 ? ? SING CD2 HD2 ? ? DOUB CE1 CZ ? ? SING CE1 HE1 ? ? SING CE2 CZ ? ? SING CE2 HE2 ? ? SING CZ OH ? ? SING OH P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HO2P ? ? SING O3P HO3P ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $P85ALPHA Cattle 9913 Eukaryota Metazoa Bos taurus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $P85ALPHA 'recombinant technology' . Escherichia coli BL21 DE3 na stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'approximately 1.5 molar equivalents of pY was added to the protein solution from a 10 mM stock solution' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'perdeuterated Tris' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' beta-mercaptoethanol 1 mM 'natural abundance' $P85ALPHA 1.0 mM 'natural abundance' $PTR 1.5 'molar equivalents' 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer na _Model na _Field_strength na _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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 pH 7.5 . pH pressure 1 . atm temperature 290 . K stop_ save_