data_4148 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Cellulose-binding Domain of Endoglucanase I from Trichoderma reesei and Its Interaction with Cello-oligosaccharides ; _BMRB_accession_number 4148 _BMRB_flat_file_name bmr4148.str _Entry_type original _Submission_date 1998-06-08 _Accession_date 1998-06-08 _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 Mattinen Maija-Liisa . . 2 Linder M. . . 3 Drakenberg T. . . 4 Annila A. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 196 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-03-02 original author . stop_ _Original_release_date 2000-03-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Cellulose-binding Domain of Endoglucanase I from Trichoderma reesei and its Interaction with Cello-oligosaccharides ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 98430965 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mattinen Maija-Liisa . . 2 Linder M. . . 3 Drakenberg T. . . 4 Annila A. . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_name_full 'European Journal of Biochemistry' _Journal_volume 256 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 279 _Page_last 286 _Year 1998 _Details . save_ ################################## # Molecular system description # ################################## save_system_CBD _Saveframe_category molecular_system _Mol_system_name 'cellulose-binding domain' _Abbreviation_common CBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CBD $CBD stop_ _System_molecular_weight 4000 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'cellulose-binding domain' _Name_variant EGI _Abbreviation_common CBD _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 38 _Mol_residue_sequence ; SCTQTHWGQCGGIGYSGCKT CTSGTTCQYSNDYYSQCL ; loop_ _Residue_seq_code _Residue_label 1 SER 2 CYS 3 THR 4 GLN 5 THR 6 HIS 7 TRP 8 GLY 9 GLN 10 CYS 11 GLY 12 GLY 13 ILE 14 GLY 15 TYR 16 SER 17 GLY 18 CYS 19 LYS 20 THR 21 CYS 22 THR 23 SER 24 GLY 25 THR 26 THR 27 CYS 28 GLN 29 TYR 30 SER 31 ASN 32 ASP 33 TYR 34 TYR 35 SER 36 GLN 37 CYS 38 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 4BMF "Solution Structure Of The Cellulose-binding Domain Of Endoglucanase I From Trichoderma Reesei And Its Interaction With Cello-ol" 100.00 38 100.00 100.00 2.93e-16 GB AAA34212 "endoglucanase I precursor [Trichoderma reesei]" 100.00 459 100.00 100.00 3.63e-16 GB AAQ21382 "endoglucanase I [Trichoderma viride]" 100.00 459 100.00 100.00 3.66e-16 GB AAX28897 "endo-beta-1,4-glucanase [Trichoderma reesei]" 100.00 459 100.00 100.00 3.66e-16 GB ACC59774 "endoglucanase I [Trichoderma viride]" 100.00 459 100.00 100.00 3.66e-16 GB ADM08177 "endoglucanase I [Trichoderma reesei]" 100.00 459 100.00 100.00 3.56e-16 PRF 1302152A "endoglucanase I" 100.00 459 100.00 100.00 3.63e-16 REF XP_006965674 "glycoside hydrolase family 7 [Trichoderma reesei QM6a]" 100.00 459 100.00 100.00 3.63e-16 SP P07981 "RecName: Full=Endoglucanase EG-1; AltName: Full=Cellulase; AltName: Full=Endo-1,4-beta-glucanase; Flags: Precursor" 100.00 459 100.00 100.00 3.63e-16 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CBD 'Trichoderma reesei, Hypocrea jecorina' 51453 Eukaryota Fungi Trichoderma reesei 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 _Details $CBD 'chemical synthesis' . . . . . ; The peptide was synthesized by automated solid-phase synthesis using Fmoc chemistry and purified as described earlier by Linder et al. 1995 (Prot. Sci. 4: 1056-1064) and Lindeberg et al. 1991 (Int J Pept Protein Res 38: 253-259). ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CBD 27 mg/ml . stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.90 0.005 n/a temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 H2O H 1 protons ppm 4.82 internal direct . . . 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_chemical_shifts_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name CBD _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 SER HA H 4.182 0.01 1 2 . 1 SER HB2 H 4.026 0.01 1 3 . 1 SER HB3 H 4.026 0.01 1 4 . 2 CYS H H 8.790 0.01 1 5 . 2 CYS HA H 4.984 0.01 1 6 . 2 CYS HB2 H 3.433 0.01 1 7 . 2 CYS HB3 H 3.433 0.01 1 8 . 3 THR H H 8.503 0.01 1 9 . 3 THR HA H 4.628 0.01 1 10 . 3 THR HB H 3.822 0.01 1 11 . 3 THR HG2 H 1.098 0.01 9 12 . 4 GLN H H 9.094 0.01 1 13 . 4 GLN HA H 4.968 0.01 1 14 . 4 GLN HB2 H 1.755 0.01 1 15 . 4 GLN HB3 H 1.397 0.01 1 16 . 4 GLN HG2 H 2.573 0.01 1 17 . 4 GLN HG3 H 2.288 0.01 1 18 . 4 GLN HE21 H 8.951 0.01 1 19 . 4 GLN HE22 H 7.109 0.01 1 20 . 5 THR H H 8.729 0.01 1 21 . 5 THR HA H 4.161 0.01 1 22 . 5 THR HB H 4.447 0.01 1 23 . 5 THR HG2 H 1.335 0.01 9 24 . 6 HIS H H 8.590 0.01 1 25 . 6 HIS HA H 3.808 0.01 1 26 . 6 HIS HB2 H 2.912 0.01 1 27 . 6 HIS HB3 H 2.799 0.01 1 28 . 6 HIS HD2 H 6.421 0.01 1 29 . 6 HIS HE1 H 8.195 0.01 1 30 . 6 HIS HE2 H 8.732 0.01 1 31 . 7 TRP H H 9.342 0.01 1 32 . 7 TRP HA H 4.134 0.01 1 33 . 7 TRP HB2 H 3.664 0.01 1 34 . 7 TRP HB3 H 3.206 0.01 1 35 . 7 TRP HD1 H 6.893 0.01 1 36 . 7 TRP HE1 H 9.859 0.01 1 37 . 7 TRP HE3 H 7.328 0.01 1 38 . 7 TRP HZ2 H 7.275 0.01 1 39 . 7 TRP HZ3 H 7.024 0.01 1 40 . 7 TRP HH2 H 7.124 0.01 1 41 . 8 GLY H H 8.736 0.01 1 42 . 8 GLY HA2 H 4.277 0.01 1 43 . 8 GLY HA3 H 3.372 0.01 1 44 . 9 GLN H H 8.822 0.01 1 45 . 9 GLN HA H 4.159 0.01 1 46 . 9 GLN HB2 H 2.076 0.01 1 47 . 9 GLN HB3 H 1.569 0.01 1 48 . 9 GLN HG2 H 2.333 0.01 1 49 . 9 GLN HG3 H 0.912 0.01 1 50 . 9 GLN HE21 H 7.392 0.01 1 51 . 9 GLN HE22 H 6.775 0.01 1 52 . 10 CYS H H 7.961 0.01 1 53 . 10 CYS HA H 5.250 0.01 1 54 . 10 CYS HB2 H 3.470 0.01 1 55 . 10 CYS HB3 H 2.870 0.01 1 56 . 11 GLY H H 6.777 0.01 1 57 . 11 GLY HA2 H 4.267 0.01 1 58 . 11 GLY HA3 H 3.788 0.01 1 59 . 12 GLY H H 8.557 0.01 1 60 . 12 GLY HA2 H 4.338 0.01 1 61 . 12 GLY HA3 H 3.739 0.01 1 62 . 13 ILE H H 8.454 0.01 1 63 . 13 ILE HA H 3.784 0.01 1 64 . 13 ILE HB H 1.172 0.01 1 65 . 13 ILE HG12 H 1.471 0.01 1 66 . 13 ILE HG13 H 0.966 0.01 1 67 . 13 ILE HG2 H 0.857 0.01 1 68 . 13 ILE HD1 H 0.501 0.01 9 69 . 14 GLY H H 9.050 0.01 1 70 . 14 GLY HA2 H 4.295 0.01 1 71 . 14 GLY HA3 H 3.755 0.01 1 72 . 15 TYR H H 7.949 0.01 1 73 . 15 TYR HA H 4.695 0.01 1 74 . 15 TYR HB2 H 2.880 0.01 1 75 . 15 TYR HB3 H 2.880 0.01 1 76 . 15 TYR HD1 H 7.394 0.01 1 77 . 15 TYR HD2 H 7.394 0.01 1 78 . 15 TYR HE1 H 6.960 0.01 1 79 . 15 TYR HE2 H 6.960 0.01 1 80 . 16 SER H H 8.702 0.01 1 81 . 16 SER HA H 4.493 0.01 1 82 . 16 SER HB2 H 3.847 0.01 1 83 . 16 SER HB3 H 3.673 0.01 1 84 . 17 GLY HA2 H 4.101 0.01 1 85 . 17 GLY HA3 H 3.421 0.01 1 86 . 18 CYS H H 8.557 0.01 1 87 . 18 CYS HA H 4.287 0.01 1 88 . 18 CYS HB2 H 2.795 0.01 1 89 . 18 CYS HB3 H 2.976 0.01 1 90 . 19 LYS H H 8.836 0.01 1 91 . 19 LYS HB2 H 2.302 0.01 1 92 . 19 LYS HB3 H 1.813 0.01 1 93 . 19 LYS HG2 H 1.309 0.01 1 94 . 19 LYS HG3 H 1.309 0.01 1 95 . 19 LYS HD2 H 1.686 0.01 1 96 . 19 LYS HD3 H 1.686 0.01 1 97 . 19 LYS HE2 H 3.035 0.01 1 98 . 19 LYS HE3 H 3.035 0.01 1 99 . 19 LYS HZ H 7.584 0.01 1 100 . 20 THR H H 7.582 0.01 1 101 . 20 THR HA H 4.306 0.01 1 102 . 20 THR HB H 4.185 0.01 1 103 . 20 THR HG2 H 1.251 0.01 9 104 . 21 CYS H H 8.892 0.01 1 105 . 21 CYS HA H 4.482 0.01 1 106 . 21 CYS HB2 H 3.740 0.01 1 107 . 21 CYS HB3 H 2.205 0.01 1 108 . 22 THR H H 8.120 0.01 1 109 . 22 THR HA H 4.029 0.01 1 110 . 22 THR HB H 4.081 0.01 1 111 . 22 THR HG2 H 1.111 0.01 9 112 . 23 SER H H 8.229 0.01 1 113 . 23 SER HA H 4.196 0.01 1 114 . 23 SER HB2 H 3.880 0.01 1 115 . 23 SER HB3 H 3.880 0.01 1 116 . 24 GLY H H 8.908 0.01 1 117 . 24 GLY HA2 H 4.253 0.01 1 118 . 24 GLY HA3 H 3.590 0.01 1 119 . 25 THR H H 8.087 0.01 1 120 . 25 THR HA H 4.660 0.01 1 121 . 25 THR HB H 3.590 0.01 1 122 . 25 THR HG2 H 0.304 0.01 9 123 . 26 THR H H 9.099 0.01 1 124 . 26 THR HA H 4.486 0.01 1 125 . 26 THR HB H 4.015 0.01 1 126 . 26 THR HG2 H 1.108 0.01 9 127 . 27 CYS H H 8.943 0.01 1 128 . 27 CYS HA H 4.582 0.01 1 129 . 27 CYS HB2 H 3.172 0.01 1 130 . 27 CYS HB3 H 2.966 0.01 1 131 . 28 GLN H H 9.117 0.01 1 132 . 28 GLN HA H 4.650 0.01 1 133 . 28 GLN HB2 H 2.145 0.01 1 134 . 28 GLN HB3 H 1.973 0.01 1 135 . 28 GLN HG2 H 2.448 0.01 1 136 . 28 GLN HG3 H 2.313 0.01 1 137 . 28 GLN HE21 H 7.217 0.01 1 138 . 28 GLN HE22 H 6.809 0.01 1 139 . 29 TYR H H 8.886 0.01 1 140 . 29 TYR HA H 4.475 0.01 1 141 . 29 TYR HB2 H 2.985 0.01 1 142 . 29 TYR HB3 H 2.855 0.01 1 143 . 29 TYR HD1 H 6.879 0.01 1 144 . 29 TYR HD2 H 6.879 0.01 1 145 . 29 TYR HE1 H 6.620 0.01 1 146 . 29 TYR HE2 H 6.620 0.01 1 147 . 30 SER H H 7.781 0.01 1 148 . 30 SER HB2 H 3.907 0.01 1 149 . 30 SER HB3 H 3.907 0.01 1 150 . 31 ASN H H 8.116 0.01 1 151 . 31 ASN HA H 4.352 0.01 1 152 . 31 ASN HB2 H 4.124 0.01 1 153 . 31 ASN HB3 H 3.087 0.01 1 154 . 31 ASN HD21 H 7.666 0.01 1 155 . 31 ASN HD22 H 7.177 0.01 1 156 . 32 ASP H H 9.232 0.01 1 157 . 32 ASP HA H 4.404 0.01 1 158 . 32 ASP HB2 H 2.554 0.01 1 159 . 32 ASP HB3 H 2.554 0.01 1 160 . 33 TYR H H 8.729 0.01 1 161 . 33 TYR HA H 4.350 0.01 1 162 . 33 TYR HB2 H 3.344 0.01 1 163 . 33 TYR HB3 H 2.803 0.01 1 164 . 33 TYR HD1 H 6.962 0.01 1 165 . 33 TYR HD2 H 6.962 0.01 1 166 . 33 TYR HE1 H 6.672 0.01 1 167 . 33 TYR HE2 H 6.672 0.01 1 168 . 34 TYR H H 7.695 0.01 1 169 . 34 TYR HA H 4.545 0.01 1 170 . 34 TYR HB2 H 2.869 0.01 1 171 . 34 TYR HB3 H 2.501 0.01 1 172 . 34 TYR HD1 H 6.814 0.01 1 173 . 34 TYR HD2 H 6.814 0.01 1 174 . 34 TYR HE1 H 6.431 0.01 1 175 . 34 TYR HE2 H 6.431 0.01 1 176 . 35 SER H H 6.474 0.01 1 177 . 35 SER HB2 H 3.496 0.01 1 178 . 35 SER HB3 H 2.788 0.01 1 179 . 36 GLN H H 8.568 0.01 1 180 . 36 GLN HB2 H 1.786 0.01 1 181 . 36 GLN HB3 H 1.623 0.01 1 182 . 36 GLN HG2 H 2.088 0.01 1 183 . 36 GLN HG3 H 2.007 0.01 1 184 . 36 GLN HE21 H 8.122 0.01 1 185 . 36 GLN HE22 H 6.892 0.01 1 186 . 37 CYS H H 8.660 0.01 1 187 . 37 CYS HA H 5.050 0.01 1 188 . 37 CYS HB2 H 2.927 0.01 1 189 . 37 CYS HB3 H 2.927 0.01 1 190 . 38 LEU H H 8.988 0.01 1 191 . 38 LEU HA H 4.358 0.01 1 192 . 38 LEU HB2 H 1.546 0.01 1 193 . 38 LEU HB3 H 1.546 0.01 1 194 . 38 LEU HG H 1.357 0.01 1 195 . 38 LEU HD1 H 0.915 0.01 9 196 . 38 LEU HD2 H 0.915 0.01 9 stop_ save_