data_12002 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignments of the second LysM domain from Volvox carteri chitinase ; _BMRB_accession_number 12002 _BMRB_flat_file_name bmr12002.str _Entry_type original _Submission_date 2016-06-13 _Accession_date 2016-06-23 _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 Kitaoku Yoshihito . . 2 Fukamizo Tamo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 44 "13C chemical shifts" 142 "15N chemical shifts" 44 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-07 original BMRB . stop_ _Original_release_date 2016-06-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Chitin oligosaccharide binding to the lysin motif of a novel type of chitinase from the multicellular green alga, Volvox carteri ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27807643 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kitaoku Yoshihito . . 2 Fukamizo Tamo . . 3 Numata Tomoyuki . . 4 Ohnuma Takayuki . . stop_ _Journal_abbreviation 'Plant Mol. Biol.' _Journal_volume 93 _Journal_issue 1-2 _Journal_ISSN 1573-5028 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 97 _Page_last 108 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'second LysM domain from Volvox carteri chitinase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VcChi LysM' $VcChi_LysM 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_VcChi_LysM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VcChi_LysM _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 49 _Mol_residue_sequence ; MGCTYTIQPGDTFWAIAQRR GTTVDVIQSLNPGVNPARLQ VGQVINVPC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 83 MET 2 84 GLY 3 85 CYS 4 86 THR 5 87 TYR 6 88 THR 7 89 ILE 8 90 GLN 9 91 PRO 10 92 GLY 11 93 ASP 12 94 THR 13 95 PHE 14 96 TRP 15 97 ALA 16 98 ILE 17 99 ALA 18 100 GLN 19 101 ARG 20 102 ARG 21 103 GLY 22 104 THR 23 105 THR 24 106 VAL 25 107 ASP 26 108 VAL 27 109 ILE 28 110 GLN 29 111 SER 30 112 LEU 31 113 ASN 32 114 PRO 33 115 GLY 34 116 VAL 35 117 ASN 36 118 PRO 37 119 ALA 38 120 ARG 39 121 LEU 40 122 GLN 41 123 VAL 42 124 GLY 43 125 GLN 44 126 VAL 45 127 ILE 46 128 ASN 47 129 VAL 48 130 PRO 49 131 CYS 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 _Strain $VcChi_LysM 'green algae' 3068 Eukaryota Viridiplantae Volvox 'Volvox carteri' nagariensis 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 $VcChi_LysM 'recombinant technology' . Escherichia coli . pETBlue-1 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 $VcChi_LysM 194 uM '[U-100% 13C; U-100% 15N]' 'sodium acetate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 20 . mM pH 5.0 . pH pressure 1 . atm temperature 300 . 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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-15N HSQC' '3D HNCO' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' 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 'VcChi LysM' _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 83 1 MET C C 169.715 . 1 2 83 1 MET CA C 52.433 . 1 3 83 1 MET CB C 29.906 . 1 4 84 2 GLY H H 8.576 . 1 5 84 2 GLY C C 170.430 . 1 6 84 2 GLY CA C 42.307 . 1 7 84 2 GLY N N 111.591 . 1 8 85 3 CYS H H 8.489 . 1 9 85 3 CYS C C 171.208 . 1 10 85 3 CYS CA C 56.099 . 1 11 85 3 CYS CB C 42.904 . 1 12 85 3 CYS N N 119.280 . 1 13 86 4 THR H H 8.289 . 1 14 86 4 THR C C 170.544 . 1 15 86 4 THR CA C 57.144 . 1 16 86 4 THR CB C 70.366 . 1 17 86 4 THR N N 111.497 . 1 18 87 5 TYR H H 8.884 . 1 19 87 5 TYR C C 169.962 . 1 20 87 5 TYR CA C 54.864 . 1 21 87 5 TYR CB C 40.704 . 1 22 87 5 TYR N N 121.411 . 1 23 88 6 THR H H 7.225 . 1 24 88 6 THR C C 169.925 . 1 25 88 6 THR CA C 58.836 . 1 26 88 6 THR CB C 65.884 . 1 27 88 6 THR N N 124.423 . 1 28 89 7 ILE H H 8.815 . 1 29 89 7 ILE C C 173.750 . 1 30 89 7 ILE CA C 57.717 . 1 31 89 7 ILE CB C 32.691 . 1 32 89 7 ILE N N 125.162 . 1 33 90 8 GLN H H 9.148 . 1 34 90 8 GLN C C 170.534 . 1 35 90 8 GLN CA C 50.466 . 1 36 90 8 GLN CB C 26.146 . 1 37 90 8 GLN N N 130.090 . 1 38 91 9 PRO C C 174.957 . 1 39 91 9 PRO CA C 61.806 . 1 40 91 9 PRO CB C 28.456 . 1 41 92 10 GLY H H 8.775 . 1 42 92 10 GLY C C 172.156 . 1 43 92 10 GLY CA C 42.280 . 1 44 92 10 GLY N N 113.303 . 1 45 93 11 ASP H H 7.826 . 1 46 93 11 ASP C C 172.849 . 1 47 93 11 ASP CA C 53.627 . 1 48 93 11 ASP CB C 39.382 . 1 49 93 11 ASP N N 120.596 . 1 50 94 12 THR H H 6.666 . 1 51 94 12 THR C C 172.390 . 1 52 94 12 THR CA C 55.772 . 1 53 94 12 THR CB C 70.564 . 1 54 94 12 THR N N 106.203 . 1 55 95 13 PHE H H 9.773 . 1 56 95 13 PHE C C 174.767 . 1 57 95 13 PHE CA C 56.602 . 1 58 95 13 PHE CB C 34.254 . 1 59 95 13 PHE N N 121.428 . 1 60 96 14 TRP H H 8.362 . 1 61 96 14 TRP C C 174.579 . 1 62 96 14 TRP CA C 58.830 . 1 63 96 14 TRP CB C 26.039 . 1 64 96 14 TRP N N 117.940 . 1 65 97 15 ALA H H 7.874 . 1 66 97 15 ALA C C 177.816 . 1 67 97 15 ALA CA C 52.386 . 1 68 97 15 ALA CB C 16.106 . 1 69 97 15 ALA N N 121.916 . 1 70 98 16 ILE H H 7.983 . 1 71 98 16 ILE C C 174.424 . 1 72 98 16 ILE CA C 61.980 . 1 73 98 16 ILE CB C 35.965 . 1 74 98 16 ILE N N 118.529 . 1 75 99 17 ALA H H 8.148 . 1 76 99 17 ALA C C 176.506 . 1 77 99 17 ALA CA C 52.492 . 1 78 99 17 ALA CB C 14.397 . 1 79 99 17 ALA N N 120.442 . 1 80 100 18 GLN H H 7.637 . 1 81 100 18 GLN C C 176.860 . 1 82 100 18 GLN CA C 55.500 . 1 83 100 18 GLN CB C 25.632 . 1 84 100 18 GLN N N 115.465 . 1 85 101 19 ARG H H 7.713 . 1 86 101 19 ARG C C 175.380 . 1 87 101 19 ARG CA C 55.964 . 1 88 101 19 ARG CB C 27.887 . 1 89 101 19 ARG N N 118.721 . 1 90 102 20 ARG H H 7.601 . 1 91 102 20 ARG C C 173.351 . 1 92 102 20 ARG CA C 52.258 . 1 93 102 20 ARG CB C 27.305 . 1 94 102 20 ARG N N 114.022 . 1 95 103 21 GLY H H 7.493 . 1 96 103 21 GLY C C 171.675 . 1 97 103 21 GLY CA C 44.150 . 1 98 103 21 GLY N N 109.289 . 1 99 104 22 THR H H 8.036 . 1 100 104 22 THR C C 169.972 . 1 101 104 22 THR CA C 55.071 . 1 102 104 22 THR CB C 66.066 . 1 103 104 22 THR N N 115.145 . 1 104 105 23 THR H H 8.675 . 1 105 105 23 THR C C 173.062 . 1 106 105 23 THR CA C 55.710 . 1 107 105 23 THR CB C 69.380 . 1 108 105 23 THR N N 110.791 . 1 109 106 24 VAL H H 8.946 . 1 110 106 24 VAL C C 174.109 . 1 111 106 24 VAL CA C 64.058 . 1 112 106 24 VAL CB C 28.755 . 1 113 106 24 VAL N N 120.490 . 1 114 107 25 ASP H H 8.182 . 1 115 107 25 ASP C C 176.306 . 1 116 107 25 ASP CA C 54.436 . 1 117 107 25 ASP CB C 37.290 . 1 118 107 25 ASP N N 117.596 . 1 119 108 26 VAL H H 7.444 . 1 120 108 26 VAL C C 176.150 . 1 121 108 26 VAL CA C 63.732 . 1 122 108 26 VAL CB C 28.482 . 1 123 108 26 VAL N N 121.792 . 1 124 109 27 ILE H H 7.353 . 1 125 109 27 ILE C C 176.426 . 1 126 109 27 ILE CA C 61.833 . 1 127 109 27 ILE CB C 33.162 . 1 128 109 27 ILE N N 117.957 . 1 129 110 28 GLN H H 8.995 . 1 130 110 28 GLN C C 177.076 . 1 131 110 28 GLN CA C 57.039 . 1 132 110 28 GLN CB C 26.239 . 1 133 110 28 GLN N N 119.946 . 1 134 111 29 SER H H 8.140 . 1 135 111 29 SER C C 173.076 . 1 136 111 29 SER CA C 58.888 . 1 137 111 29 SER CB C 60.074 . 1 138 111 29 SER N N 116.688 . 1 139 112 30 LEU H H 7.324 . 1 140 112 30 LEU C C 173.770 . 1 141 112 30 LEU CA C 52.449 . 1 142 112 30 LEU CB C 40.656 . 1 143 112 30 LEU N N 118.561 . 1 144 113 31 ASN H H 7.598 . 1 145 113 31 ASN C C 168.518 . 1 146 113 31 ASN CA C 48.836 . 1 147 113 31 ASN CB C 38.430 . 1 148 113 31 ASN N N 118.222 . 1 149 114 32 PRO C C 175.796 . 1 150 114 32 PRO CA C 61.569 . 1 151 114 32 PRO CB C 28.514 . 1 152 115 33 GLY H H 8.802 . 1 153 115 33 GLY C C 171.507 . 1 154 115 33 GLY CA C 42.489 . 1 155 115 33 GLY N N 109.583 . 1 156 116 34 VAL H H 7.481 . 1 157 116 34 VAL C C 172.052 . 1 158 116 34 VAL CA C 59.539 . 1 159 116 34 VAL CB C 29.528 . 1 160 116 34 VAL N N 121.385 . 1 161 117 35 ASN H H 8.704 . 1 162 117 35 ASN C C 175.986 . 1 163 117 35 ASN CA C 46.868 . 1 164 117 35 ASN CB C 36.330 . 1 165 117 35 ASN N N 128.183 . 1 166 118 36 PRO C C 173.595 . 1 167 118 36 PRO CA C 60.778 . 1 168 118 36 PRO CB C 28.654 . 1 169 119 37 ALA H H 7.743 . 1 170 119 37 ALA C C 175.012 . 1 171 119 37 ALA CA C 49.648 . 1 172 119 37 ALA CB C 16.511 . 1 173 119 37 ALA N N 118.292 . 1 174 120 38 ARG H H 7.542 . 1 175 120 38 ARG C C 172.649 . 1 176 120 38 ARG CA C 51.191 . 1 177 120 38 ARG CB C 28.228 . 1 178 120 38 ARG N N 119.829 . 1 179 121 39 LEU H H 7.864 . 1 180 121 39 LEU C C 174.435 . 1 181 121 39 LEU CA C 52.388 . 1 182 121 39 LEU CB C 40.015 . 1 183 121 39 LEU N N 122.333 . 1 184 122 40 GLN H H 8.308 . 1 185 122 40 GLN C C 172.380 . 1 186 122 40 GLN CA C 50.816 . 1 187 122 40 GLN CB C 28.647 . 1 188 122 40 GLN N N 121.448 . 1 189 123 41 VAL H H 8.456 . 1 190 123 41 VAL C C 174.974 . 1 191 123 41 VAL CA C 62.659 . 1 192 123 41 VAL CB C 28.396 . 1 193 123 41 VAL N N 123.786 . 1 194 124 42 GLY H H 8.666 . 1 195 124 42 GLY C C 170.912 . 1 196 124 42 GLY CA C 42.010 . 1 197 124 42 GLY N N 116.264 . 1 198 125 43 GLN H H 7.941 . 1 199 125 43 GLN C C 171.170 . 1 200 125 43 GLN CA C 53.541 . 1 201 125 43 GLN CB C 26.823 . 1 202 125 43 GLN N N 122.991 . 1 203 126 44 VAL H H 8.525 . 1 204 126 44 VAL C C 174.429 . 1 205 126 44 VAL CA C 59.400 . 1 206 126 44 VAL CB C 29.904 . 1 207 126 44 VAL N N 125.989 . 1 208 127 45 ILE H H 9.120 . 1 209 127 45 ILE C C 171.760 . 1 210 127 45 ILE CA C 56.054 . 1 211 127 45 ILE CB C 39.042 . 1 212 127 45 ILE N N 120.816 . 1 213 128 46 ASN H H 9.587 . 1 214 128 46 ASN C C 172.550 . 1 215 128 46 ASN CA C 50.594 . 1 216 128 46 ASN CB C 37.333 . 1 217 128 46 ASN N N 119.777 . 1 218 129 47 VAL H H 8.073 . 1 219 129 47 VAL C C 169.302 . 1 220 129 47 VAL CA C 55.375 . 1 221 129 47 VAL CB C 31.071 . 1 222 129 47 VAL N N 112.549 . 1 223 130 48 PRO C C 174.046 . 1 224 130 48 PRO CA C 59.988 . 1 225 130 48 PRO CB C 28.530 . 1 226 131 49 CYS H H 8.495 . 1 227 131 49 CYS C C 176.866 . 1 228 131 49 CYS CA C 53.054 . 1 229 131 49 CYS CB C 39.273 . 1 230 131 49 CYS N N 126.018 . 1 stop_ save_