data_17183 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solid-state 31P NMR Spectroscopy of Microcrystals of the Ras Protein and its Effector Loop Mutants: Comparison Between Crystalline and Solution State ; _BMRB_accession_number 17183 _BMRB_flat_file_name bmr17183.str _Entry_type original _Submission_date 2010-09-10 _Accession_date 2010-09-10 _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 Iuga Adriana . . 2 Spoerner Michael . . 3 Kalbitzer Hans R. . 4 Brunner Eike . . 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 'Solid-state 31P NMR Spectroscopy of Microcrystals of the Ras Protein and its Effector Loop Mutants: Comparison Between Crystalline and Solution State' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15342254 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Iuga Adriana . . 2 Spoerner Michael . . 3 Kalbitzer Hans R. . 4 Brunner Eike . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 342 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1033 _Page_last 1040 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RasMg/GppNHp complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ras $Ras MG $MG GppNHp $GNP 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_Ras _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ras _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MTEYKLVVVGAGGVGKSALT IQLIQNHFVDEYDPTIEDSY RKQVVIDGETCLLDILDTAG QEEYSAMRDQYMRTGEGFLC VFAINNTKSFEDIHQYREQI KRVKDSDDVPMVLVGNKCDL AARTVESRQAQDLARSYGIP YIETSAKTRQGVEDAFYTLV REIRQH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 GLU 4 TYR 5 LYS 6 LEU 7 VAL 8 VAL 9 VAL 10 GLY 11 ALA 12 GLY 13 GLY 14 VAL 15 GLY 16 LYS 17 SER 18 ALA 19 LEU 20 THR 21 ILE 22 GLN 23 LEU 24 ILE 25 GLN 26 ASN 27 HIS 28 PHE 29 VAL 30 ASP 31 GLU 32 TYR 33 ASP 34 PRO 35 THR 36 ILE 37 GLU 38 ASP 39 SER 40 TYR 41 ARG 42 LYS 43 GLN 44 VAL 45 VAL 46 ILE 47 ASP 48 GLY 49 GLU 50 THR 51 CYS 52 LEU 53 LEU 54 ASP 55 ILE 56 LEU 57 ASP 58 THR 59 ALA 60 GLY 61 GLN 62 GLU 63 GLU 64 TYR 65 SER 66 ALA 67 MET 68 ARG 69 ASP 70 GLN 71 TYR 72 MET 73 ARG 74 THR 75 GLY 76 GLU 77 GLY 78 PHE 79 LEU 80 CYS 81 VAL 82 PHE 83 ALA 84 ILE 85 ASN 86 ASN 87 THR 88 LYS 89 SER 90 PHE 91 GLU 92 ASP 93 ILE 94 HIS 95 GLN 96 TYR 97 ARG 98 GLU 99 GLN 100 ILE 101 LYS 102 ARG 103 VAL 104 LYS 105 ASP 106 SER 107 ASP 108 ASP 109 VAL 110 PRO 111 MET 112 VAL 113 LEU 114 VAL 115 GLY 116 ASN 117 LYS 118 CYS 119 ASP 120 LEU 121 ALA 122 ALA 123 ARG 124 THR 125 VAL 126 GLU 127 SER 128 ARG 129 GLN 130 ALA 131 GLN 132 ASP 133 LEU 134 ALA 135 ARG 136 SER 137 TYR 138 GLY 139 ILE 140 PRO 141 TYR 142 ILE 143 GLU 144 THR 145 SER 146 ALA 147 LYS 148 THR 149 ARG 150 GLN 151 GLY 152 VAL 153 GLU 154 ASP 155 ALA 156 PHE 157 TYR 158 THR 159 LEU 160 VAL 161 ARG 162 GLU 163 ILE 164 ARG 165 GLN 166 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 BMRB 10051 RasY32W 100.00 178 99.40 100.00 1.46e-117 BMRB 17610 "GppNHp-bound H-RasT35S mutant protein" 100.00 172 99.40 100.00 6.32e-117 BMRB 17678 HRas166 100.00 166 100.00 100.00 7.67e-118 BMRB 18461 entity_1 100.00 172 100.00 100.00 1.88e-117 BMRB 18479 HRas166 100.00 166 100.00 100.00 7.67e-118 BMRB 18629 entity_1 100.00 166 99.40 100.00 2.05e-117 BMRB 25730 H-Ras_G12V 100.00 169 99.40 99.40 2.05e-116 PDB 121P "Struktur Und Guanosintriphosphat-Hydrolysemechanismus Des C- Terminal Verkuerzten Menschlichen Krebsproteins P21-H-Ras" 100.00 166 100.00 100.00 7.67e-118 PDB 1AA9 "Human C-Ha-Ras(1-171)(Dot)gdp, Nmr, Minimized Average Structure" 100.00 171 100.00 100.00 6.15e-118 PDB 1AGP "Three-Dimensional Structures And Properties Of A Transforming And A Nontransforming Gly-12 Mutant Of P21-H-Ras" 100.00 166 99.40 99.40 1.07e-116 PDB 1BKD "Complex Of Human H-Ras With Human Sos-1" 100.00 166 100.00 100.00 7.67e-118 PDB 1CLU "H-Ras Complexed With Diaminobenzophenone-Beta,Gamma-Imido- Gtp" 100.00 166 99.40 99.40 1.11e-116 PDB 1CRP "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" 100.00 166 100.00 100.00 7.67e-118 PDB 1CRQ "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" 100.00 166 100.00 100.00 7.67e-118 PDB 1CRR "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" 100.00 166 100.00 100.00 7.67e-118 PDB 1CTQ "Structure Of P21ras In Complex With Gppnhp At 100 K" 100.00 166 100.00 100.00 7.67e-118 PDB 1GNP "X-Ray Crystal Structure Analysis Of The Catalytic Domain Of The Oncogene Product P21h-Ras Complexed With Caged Gtp And Mant Dgp" 100.00 166 100.00 100.00 7.67e-118 PDB 1GNQ "X-Ray Crystal Structure Analysis Of The Catalytic Domain Of The Oncogene Product P21h-Ras Complexed With Caged Gtp And Mant Dgp" 100.00 166 100.00 100.00 7.67e-118 PDB 1GNR "X-Ray Crystal Structure Analysis Of The Catalytic Domain Of The Oncogene Product P21h-Ras Complexed With Caged Gtp And Mant Dgp" 100.00 166 100.00 100.00 7.67e-118 PDB 1HE8 "Ras G12v-Pi 3-Kinase Gamma Complex" 100.00 166 99.40 99.40 1.89e-116 PDB 1IAQ "C-H-Ras P21 Protein Mutant With Thr 35 Replaced By Ser (T35s) Complexed With Guanosine-5'-[b,G-Imido] Triphosphate" 100.00 166 99.40 100.00 2.05e-117 PDB 1IOZ "Crystal Structure Of The C-Ha-Ras Protein Prepared By The Cell-Free Synthesis" 100.00 171 100.00 100.00 6.15e-118 PDB 1JAH "H-Ras P21 Protein Mutant G12p, Complexed With Guanosine-5'- [beta,Gamma-Methylene] Triphosphate And Magnesium" 100.00 166 98.80 98.80 8.63e-116 PDB 1JAI "H-Ras P21 Protein Mutant G12p, Complexed With Guanosine-5'- [beta,Gamma-Methylene] Triphosphate And Manganese" 100.00 166 99.40 99.40 1.11e-116 PDB 1K8R "Crystal Structure Of Ras-Bry2rbd Complex" 100.00 166 100.00 100.00 7.67e-118 PDB 1LF0 "Crystal Structure Of Rasa59g In The Gtp-Bound Form" 100.00 166 99.40 99.40 5.49e-117 PDB 1LF5 "Crystal Structure Of Rasa59g In The Gdp-Bound Form" 100.00 166 99.40 99.40 5.49e-117 PDB 1LFD "Crystal Structure Of The Active Ras Protein Complexed With The Ras-interacting Domain Of Ralgds" 100.00 167 99.40 100.00 2.40e-117 PDB 1NVU "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-Specific Nucleotide Exchange Factor Sos" 100.00 166 99.40 99.40 5.49e-117 PDB 1NVV "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-specific Nucleotide Exchange Factor Sos" 100.00 166 100.00 100.00 7.67e-118 PDB 1NVW "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-specific Nucleotide Exchange Factor Sos" 100.00 166 100.00 100.00 7.67e-118 PDB 1NVX "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-Specific Nucleotide Exchange Factor Sos" 100.00 166 99.40 99.40 5.49e-117 PDB 1P2S "H-Ras 166 In 50% 2,2,2 Triflouroethanol" 100.00 166 100.00 100.00 7.67e-118 PDB 1P2T "H-Ras 166 In Aqueous Mother Liqour, Rt" 100.00 166 100.00 100.00 7.67e-118 PDB 1P2U "H-Ras In 50% Isopropanol" 100.00 166 100.00 100.00 7.67e-118 PDB 1P2V "H-Ras 166 In 60 % 1,6 Hexanediol" 100.00 166 100.00 100.00 7.67e-118 PDB 1PLJ "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" 100.00 166 99.40 99.40 1.11e-116 PDB 1PLK "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" 100.00 166 98.80 98.80 8.63e-116 PDB 1PLL "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" 100.00 166 99.40 99.40 1.11e-116 PDB 1Q21 "Crystal Structures At 2.2 Angstroms Resolution Of The Catalytic Domains Of Normal Ras Protein And An Oncogenic Mutant Complexed" 100.00 171 100.00 100.00 6.15e-118 PDB 1QRA "Structure Of P21ras In Complex With Gtp At 100 K" 100.00 166 100.00 100.00 7.67e-118 PDB 1RVD "H-Ras Complexed With Diaminobenzophenone-Beta,Gamma-Imido- Gtp" 100.00 166 99.40 99.40 1.89e-116 PDB 1WQ1 "Ras-Rasgap Complex" 100.00 166 100.00 100.00 7.67e-118 PDB 1XCM "Crystal Structure Of The Gppnhp-Bound H-Ras G60a Mutant" 100.00 167 98.80 98.80 1.23e-115 PDB 1XD2 "Crystal Structure Of A Ternary Ras:sos:ras*gdp Complex" 100.00 166 100.00 100.00 7.67e-118 PDB 1XJ0 "Crystal Structure Of The Gdp-Bound Form Of The Rasg60a Mutant" 100.00 166 98.80 98.80 1.35e-115 PDB 1ZVQ "Structure Of The Q61g Mutant Of Ras In The Gdp-Bound Form" 100.00 166 99.40 99.40 1.23e-116 PDB 1ZW6 "Crystal Structure Of The Gtp-Bound Form Of Rasq61g" 100.00 166 98.80 98.80 2.78e-115 PDB 221P "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" 100.00 166 99.40 100.00 2.70e-117 PDB 2C5L "Structure Of Plc Epsilon Ras Association Domain With Hras" 100.00 173 99.40 99.40 3.64e-116 PDB 2CE2 "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gdp" 100.00 166 98.80 98.80 5.07e-115 PDB 2CL0 "Crystal Structure Analysis Of A Fluorescent Form Of H-Ras P21 In Complex With Gppnhp" 100.00 166 98.80 98.80 5.07e-115 PDB 2CL6 "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With S-caged Gtp" 100.00 166 98.80 98.80 5.07e-115 PDB 2CL7 "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gtp" 100.00 166 98.80 98.80 5.07e-115 PDB 2CLC "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gtp (2)" 100.00 166 98.80 98.80 5.07e-115 PDB 2CLD "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gdp (2)" 100.00 166 99.40 99.40 1.22e-116 PDB 2EVW "Crystal Structure Analysis Of A Fluorescent Form Of H-Ras P21 In Complex With R-Caged Gtp" 100.00 166 98.80 98.80 5.07e-115 PDB 2LCF "Solution Structure Of Gppnhp-Bound H-Rast35s Mutant Protein" 100.00 172 99.40 100.00 6.32e-117 PDB 2LWI "Solution Structure Of H-rast35s Mutant Protein In Complex With Kobe2601" 100.00 172 99.40 100.00 6.32e-117 PDB 2N42 "Ec-nmr Structure Of Human H-rast35s Mutant Protein Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr Data" 100.00 172 99.40 100.00 6.32e-117 PDB 2N46 "Ec-nmr Structure Of Human H-rast35s Mutant Protein Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr Data" 100.00 172 99.40 100.00 6.32e-117 PDB 2Q21 "Crystal Structures At 2.2 Angstroms Resolution Of The Catalytic Domains Of Normal Ras Protein And An Oncogenic Mutant Complexed" 100.00 171 99.40 99.40 1.46e-116 PDB 2QUZ "Crystal Structure Of The Activating H-Rask117r Mutant In Costello Syndrome, Bound To Mg-Gdp" 100.00 166 99.40 100.00 2.73e-117 PDB 2RGA "Crystal Structure Of H-Rasq61i-Gppnhp" 100.00 166 99.40 99.40 1.18e-116 PDB 2RGB "Crystal Structure Of H-Rasq61k-Gppnhp" 100.00 166 99.40 100.00 3.08e-117 PDB 2RGC "Crystal Structure Of H-Rasq61v-Gppnhp" 100.00 166 99.40 99.40 9.18e-117 PDB 2RGD "Crystal Structure Of H-Rasq61l-Gppnhp" 100.00 166 99.40 99.40 9.18e-117 PDB 2RGE "Crystal Structure Of H-Ras-Gppnhp" 100.00 166 100.00 100.00 7.67e-118 PDB 2RGG "Crystal Structure Of H-Rasq61i-Gppnhp, Trigonal Crystal Form" 100.00 166 99.40 99.40 1.18e-116 PDB 2UZI "Crystal Structure Of Hras(G12v) - Anti-Ras Fv Complex" 100.00 166 99.40 99.40 1.89e-116 PDB 2VH5 "Crystal Structure Of Hras(G12v) - Anti-Ras Fv (Disulfide Free Mutant) Complex" 100.00 166 99.40 99.40 1.89e-116 PDB 2X1V "Crystal Structure Of The Activating H-Ras I163f Mutant In Costello Syndrome, Bound To Mg-Gdp" 100.00 166 99.40 99.40 3.83e-117 PDB 3DDC "Crystal Structure Of Nore1a In Complex With Ras" 100.00 166 98.80 100.00 1.17e-116 PDB 3I3S "Crystal Structure Of H-Ras With Thr50 Replaced By Isoleucine" 100.00 166 99.40 99.40 6.12e-117 PDB 3K8Y "Allosteric Modulation Of H-Ras Gtpase" 100.00 166 100.00 100.00 7.67e-118 PDB 3K9L "Allosteric Modulation Of H-Ras Gtpase" 100.00 166 99.40 100.00 2.31e-117 PDB 3K9N "Allosteric Modulation Of H-Ras Gtpase" 100.00 166 99.40 100.00 2.31e-117 PDB 3KKM "Crystal Structure Of H-ras T35s In Complex With Gppnhp" 100.00 172 99.40 100.00 6.32e-117 PDB 3KKN "Crystal Structure Of H-ras T35s In Complex With Gppnhp" 100.00 172 99.40 100.00 6.32e-117 PDB 3KUD "Complex Of Ras-Gdp With Rafrbd(A85k)" 100.00 166 100.00 100.00 7.67e-118 PDB 3L8Y "Complex Of Ras With Cyclen" 100.00 166 100.00 100.00 7.67e-118 PDB 3L8Z "H-Ras Wildtype New Crystal Form" 100.00 166 100.00 100.00 7.67e-118 PDB 3LBH "Ras Soaked In Calcium Acetate" 100.00 166 100.00 100.00 7.67e-118 PDB 3LBI "Ras Soaked In Magnesium Acetate And Back Soaked In Calcium A" 100.00 166 100.00 100.00 7.67e-118 PDB 3LBN "Ras Soaked In Magnesium Acetate" 100.00 166 100.00 100.00 7.67e-118 PDB 3LO5 "Crystal Structure Of The Dominant Negative S17n Mutant Of Ras" 100.00 166 99.40 100.00 2.98e-117 PDB 3OIU 'H-Rasq61l With Allosteric Switch In The "on" State' 100.00 166 99.40 99.40 9.18e-117 PDB 3OIV 'H-Rasg12v With Allosteric Switch In The "off" State' 100.00 166 99.40 99.40 1.89e-116 PDB 3OIW 'H-Rasg12v With Allosteric Switch In The "on" State' 100.00 166 99.40 99.40 1.89e-116 PDB 3RRY "H-Ras Crosslinked Control, Soaked In Aqueous Solution: One Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RRZ "H-Ras In 70% Glycerol: One Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RS0 "H-Ras Soaked In Neat Cyclopentanol: One Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RS2 "H-Ras Soaked In 50% 2,2,2-Trifluoroethanol: One Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RS3 "H-Ras Soaked In Neat Hexane: 1 Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RS4 "H-Ras Soaked In 60% 1,6-Hexanediol: 1 Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RS5 "H-Ras Soaked In 55% Dimethylformamide: 1 Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RS7 "H-Ras Soaked In 50% Isopropanol: 1 Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RSL "H-Ras Soaked In 90% R,S,R-Bisfuranol: One Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3RSO "H-Ras Soaked In 20% S,R,S-Bisfuranol: 1 Of 10 In Mscs Set" 100.00 166 100.00 100.00 7.67e-118 PDB 3TGP "Room Temperature H-Ras" 100.00 166 100.00 100.00 7.67e-118 PDB 3V4F "H-Ras Peg 400CACL2, ORDERED OFF" 100.00 166 99.40 100.00 2.76e-117 PDB 421P "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" 100.00 166 99.40 99.40 1.36e-116 PDB 4DLR "H-Ras Peg 400CA(OAC)2, ORDERED OFF" 100.00 166 99.40 100.00 2.76e-117 PDB 4DLS "H-Ras Set 1 Cacl2 'mixed'" 100.00 166 100.00 100.00 7.67e-118 PDB 4DLT "H-Ras Set 2 Ca(Oac)2, On" 100.00 166 100.00 100.00 7.67e-118 PDB 4DLU "H-Ras Set 1 Ca(Oac)2, On" 100.00 166 100.00 100.00 7.67e-118 PDB 4DLV "H-Ras Set 2 Cacl2DTT, ORDERED OFF" 100.00 166 99.40 100.00 2.76e-117 PDB 4DLW "H-Ras Set 2 Ca(Oac)2DTT, ON" 100.00 166 100.00 100.00 7.67e-118 PDB 4DLX "H-Ras Set 1 Cacl2DTE, ORDERED OFF" 100.00 166 99.40 100.00 2.76e-117 PDB 4DLY "Set 1 Cacl2DTT, ORDERED OFF" 100.00 166 99.40 100.00 2.76e-117 PDB 4DLZ "H-Ras Set 2 Ca(Oac)2DTE, ORDERED OFF" 100.00 166 99.40 100.00 2.76e-117 PDB 4EFL "Crystal Structure Of H-ras Wt In Complex With Gppnhp (state 1)" 100.00 171 100.00 100.00 1.56e-117 PDB 4EFM "Crystal Structure Of H-ras G12v In Complex With Gppnhp (state 1)" 100.00 171 99.40 99.40 2.88e-116 PDB 4EFN "Crystal Structure Of H-ras Q61l In Complex With Gppnhp (state 1)" 100.00 171 99.40 99.40 1.92e-116 PDB 4G0N "Crystal Structure Of Wt H-ras-gppnhp Bound To The Rbd Of Raf Kinase" 100.00 166 100.00 100.00 7.67e-118 PDB 4G3X "Crystal Structure Of Q61l H-ras-gppnhp Bound To The Rbd Of Raf Kinase" 100.00 166 99.40 99.40 9.18e-117 PDB 4K81 "Crystal Structure Of The Grb14 Ra And Ph Domains In Complex With Gtp- Loaded H-ras" 100.00 171 99.40 99.40 1.37e-116 PDB 4L9S "Crystal Structure Of H-ras G12c, Gdp-bound" 100.00 171 99.40 99.40 1.80e-116 PDB 4L9W "Crystal Structure Of H-ras G12c, Gmppnp-bound" 100.00 171 99.40 99.40 1.80e-116 PDB 4NYI "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" 100.00 167 100.00 100.00 1.01e-117 PDB 4NYJ "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" 100.00 166 100.00 100.00 7.67e-118 PDB 4NYM "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" 100.00 166 100.00 100.00 7.67e-118 PDB 4Q21 "Molecular Switch For Signal Transduction: Structural Differences Between Active And Inactive Forms Of Protooncogenic Ras Protei" 100.00 189 100.00 100.00 3.20e-117 PDB 4RSG "Neutron Crystal Structure Of Ras Bound To The Gtp Analogue Gppnhp" 100.00 166 100.00 100.00 7.67e-118 PDB 4URU "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4URV "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4URW "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4URX "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4URY "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4URZ "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4US0 "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4US1 "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4US2 "The Crystal Structure Of H-ras And Sos In Complex With Ligands" 100.00 185 100.00 100.00 2.10e-117 PDB 4XVQ "H-ras Y137e" 100.00 166 99.40 99.40 1.21e-116 PDB 4XVR "H-ras Y137f" 100.00 166 99.40 100.00 2.31e-117 PDB 521P "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" 100.00 166 98.80 98.80 8.72e-116 PDB 5P21 "Refined Crystal Structure Of The Triphosphate Conformation Of H-Ras P21 At 1.35 Angstroms Resolution: Implications For The Mech" 100.00 166 100.00 100.00 7.67e-118 PDB 621P "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" 100.00 166 99.40 99.40 5.55e-117 PDB 6Q21 "Molecular Switch For Signal Transduction: Structural Differences Between Active And Inactive Forms Of Protooncogenic Ras Protei" 100.00 171 100.00 100.00 6.15e-118 PDB 721P "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" 100.00 166 99.40 99.40 9.18e-117 PDB 821P "Three-Dimensional Structures And Properties Of A Transforming And A Nontransforming Glycine-12 Mutant Of P21h-Ras" 100.00 166 99.40 99.40 1.11e-116 DBJ BAB61869 "Rai-chu 101 [synthetic construct]" 100.00 740 100.00 100.00 1.34e-110 DBJ BAB61870 "Rai-chu 101X [synthetic construct]" 100.00 764 100.00 100.00 1.62e-110 DBJ BAB88314 "c-Ha-ras p21 protein [synthetic construct]" 100.00 189 100.00 100.00 3.20e-117 DBJ BAB88315 "c-Ha-ras p21 protein [synthetic construct]" 100.00 189 100.00 100.00 3.20e-117 DBJ BAB88316 "c-Ha-ras p21 protein [synthetic construct]" 100.00 189 100.00 100.00 3.20e-117 EMBL CAA25322 "transforming protein p21 [Moloney murine sarcoma virus]" 100.00 189 98.80 98.80 2.88e-115 EMBL CAA25624 "p21 protein [Homo sapiens]" 67.47 112 99.11 99.11 3.98e-74 EMBL CAA27258 "unnamed protein product [Gallus gallus]" 100.00 189 98.80 99.40 7.12e-116 EMBL CAA35240 "p21 ras [Bos taurus]" 57.83 96 97.92 98.96 2.83e-61 EMBL CAA90306 "C-H-Ras [Mus musculus]" 100.00 189 99.40 99.40 4.08e-116 GB AAA36554 "c-Ki-ras p21 protein, partial [Homo sapiens]" 57.83 96 97.92 97.92 1.75e-61 GB AAA42009 "c-ras-H-1 protein [Rattus norvegicus]" 100.00 189 100.00 100.00 3.09e-117 GB AAA46568 "transforming protein p21 has [Harvey murine sarcoma virus]" 100.00 241 98.19 98.19 1.81e-115 GB AAA46569 "protein p30 [Harvey murine sarcoma virus]" 100.00 241 98.19 98.19 1.81e-115 GB AAA46570 "p21 v-has transforming protein [Harvey murine sarcoma virus]" 100.00 189 98.19 98.19 1.49e-114 PIR A43816 "transforming protein ras - rabbit" 100.00 189 99.40 100.00 6.65e-117 PIR TVMVNS "transforming protein ras - NS.C58 murine sarcoma virus" 100.00 189 99.40 99.40 6.18e-116 PRF 0904302A protein,c-Ha-ras-1 100.00 189 99.40 99.40 7.28e-116 PRF 1604384A "ras oncogene" 100.00 189 97.59 97.59 9.46e-112 REF NP_001017003 "GTPase HRas [Xenopus (Silurana) tropicalis]" 100.00 189 98.80 99.40 5.19e-116 REF NP_001018465 "-Ha-ras Harvey rat sarcoma viral oncogene homolog b [Danio rerio]" 100.00 189 97.59 99.40 1.22e-114 REF NP_001084278 "Harvey rat sarcoma viral oncogene homolog [Xenopus laevis]" 100.00 189 98.80 99.40 5.19e-116 REF NP_001091711 "GTPase HRas precursor [Rattus norvegicus]" 100.00 189 100.00 100.00 3.20e-117 REF NP_001123913 "GTPase HRas precursor [Rattus norvegicus]" 100.00 189 100.00 100.00 3.20e-117 SP P01112 "RecName: Full=GTPase HRas; AltName: Full=H-Ras-1; AltName: Full=Ha-Ras; AltName: Full=Transforming protein p21; AltName: Full=c" 100.00 189 100.00 100.00 3.20e-117 SP P01113 "RecName: Full=GTPase HRas; AltName: Full=Transforming protein p21/H-Ras; Flags: Precursor" 100.00 189 98.80 99.40 1.42e-115 SP P01114 "RecName: Full=Transforming protein p29; Contains: RecName: Full=Transforming protein p21; Flags: Precursor" 100.00 248 98.19 98.19 3.65e-114 SP P01115 "RecName: Full=Transforming protein p29; Contains: RecName: Full=Transforming protein p21; Flags: Precursor" 100.00 241 98.19 98.19 1.81e-115 SP P08642 "RecName: Full=GTPase HRas; AltName: Full=H-Ras-1; AltName: Full=Transforming protein p21; AltName: Full=c-H-ras; AltName: Full=" 100.00 189 98.80 99.40 7.12e-116 TPG DAA13500 "TPA: v-Ha-ras Harvey rat sarcoma viral oncogene homolog [Bos taurus]" 100.00 189 98.80 99.40 2.82e-115 stop_ save_ ############# # Ligands # ############# save_MG _Saveframe_category ligand _Mol_type non-polymer _Name_common "MG (MAGNESIUM ION)" _BMRB_code . _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jan 11 16:12:08 2012 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_GNP _Saveframe_category ligand _Mol_type non-polymer _Name_common "GNP (PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER)" _BMRB_code . _PDB_code GNP _Molecular_mass 522.196 _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 Wed Jan 11 16:13:01 2012 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PG PG P . 0 . ? O1G O1G O . 0 . ? O2G O2G O . 0 . ? O3G O3G O . 0 . ? N3B N3B N . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3A O3A O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOG2 HOG2 H . 0 . ? HOG3 HOG3 H . 0 . ? HNB3 HNB3 H . 0 . ? HOB2 HOB2 H . 0 . ? HOA2 HOA2 H . 0 . ? H5'2 H5'2 H . 0 . ? H5'1 H5'1 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 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 DOUB PG O1G ? ? SING PG O2G ? ? SING PG O3G ? ? SING PG N3B ? ? SING O2G HOG2 ? ? SING O3G HOG3 ? ? SING N3B PB ? ? SING N3B HNB3 ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3A PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'2 ? ? SING C5' H5'1 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? 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 $Ras 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 $Ras 'recombinant technology' . Escherichia coli . ns stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details 'Ras bound to Mg' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ras 1.5 mM 'natural abundance' $MG 1.5 mM 'natural abundance' $GNP 1.5 mM 'natural abundance' Tris-HCl 50 mM 'natural abundance' 'magnesium chloride' 10 mM 'natural abundance' dithioerythritiol 5 mM 'natural abundance' 'polyethylene glycol 400' 56 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SIMPSON _Saveframe_category software _Name SIMPSON _Version . loop_ _Vendor _Address _Electronic_address 'Bak, M., Rasmussen, J. T. & Nielsen, N. C. (2000).' . . stop_ loop_ _Task 'numerical spectra simulations' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 300 _Details . save_ ############################# # NMR applied experiments # ############################# save_31P_NMR_1 _Saveframe_category NMR_applied_experiment _Experiment_name '31P NMR' _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 7.6 . pH pressure ambient . atm temperature 278 . K stop_ save_