data_18009 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the lambda 5 22-45 peptide ; _BMRB_accession_number 18009 _BMRB_flat_file_name bmr18009.str _Entry_type original _Submission_date 2011-10-19 _Accession_date 2011-10-19 _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 Elantak Latifa . . 2 Espeli Marion . . 3 Boned Annie . . 4 Bornet Olivier . . 5 Breton Caroline . . 6 Feracci Mikael . . 7 Roche Philippe . . 8 Guerlesquin Francoise . . 9 Schiff Claudine . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-12 update BMRB 'update entry citation' 2012-10-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for galectin-1-dependent pre-B cell receptor (pre-BCR) activation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23124203 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Elantak Latifa . . 2 Espeli Marion . . 3 Boned Annie . . 4 Bornet Olivier . . 5 Bonzi Jeremy . . 6 Gauthier Laurent . . 7 Feracci Mikael . . 8 Roche Philippe . . 9 Guerlesquin Francoise . . 10 Schiff Claudine . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 53 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 44703 _Page_last 44713 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name lambda_5_22-45_peptide _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label lambda_5_22-45_peptide $lambda_5_22-45_peptide 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_lambda_5_22-45_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 2856.299 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 24 _Mol_residue_sequence ; SRSSLRSRWGRFLLQRGSWT GPRC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 ARG 3 3 SER 4 4 SER 5 5 LEU 6 6 ARG 7 7 SER 8 8 ARG 9 9 TRP 10 10 GLY 11 11 ARG 12 12 PHE 13 13 LEU 14 14 LEU 15 15 GLN 16 16 ARG 17 17 GLY 18 18 SER 19 19 TRP 20 20 THR 21 21 GLY 22 22 PRO 23 23 ARG 24 24 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-03 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 2LKQ "Nmr Structure Of The Lambda 5 22-45 Peptide" 100.00 24 100.00 100.00 3.28e-06 DBJ BAI46548 "immunoglobulin lambda-like polypeptide 1 [synthetic construct]" 100.00 213 100.00 100.00 1.74e-06 GB AAA36096 "omega protein [Homo sapiens]" 100.00 213 100.00 100.00 1.74e-06 GB AAA36100 "immunoglobulin-related protein 14.1 [Homo sapiens]" 100.00 213 100.00 100.00 1.74e-06 GB AAH12293 "Immunoglobulin lambda-like polypeptide 1 [Homo sapiens]" 100.00 213 100.00 100.00 1.74e-06 GB ABM84504 "immunoglobulin lambda-like polypeptide 1 [synthetic construct]" 100.00 213 100.00 100.00 1.74e-06 GB ABM85566 "immunoglobulin lambda-like polypeptide 1 [synthetic construct]" 100.00 213 100.00 100.00 1.74e-06 REF NP_064455 "immunoglobulin lambda-like polypeptide 1 isoform a precursor [Homo sapiens]" 100.00 213 100.00 100.00 1.74e-06 REF XP_003282108 "PREDICTED: immunoglobulin lambda-like polypeptide 1 isoform X2 [Nomascus leucogenys]" 100.00 213 100.00 100.00 2.00e-06 REF XP_003814324 "PREDICTED: immunoglobulin lambda-like polypeptide 1 [Pan paniscus]" 58.33 235 100.00 100.00 2.82e+00 REF XP_004063189 "PREDICTED: immunoglobulin lambda-like polypeptide 1-like isoform 1 [Gorilla gorilla gorilla]" 100.00 213 100.00 100.00 1.65e-06 REF XP_004063194 "PREDICTED: immunoglobulin lambda-like polypeptide 1-like [Gorilla gorilla gorilla]" 58.33 246 100.00 100.00 2.85e+00 SP P15814 "RecName: Full=Immunoglobulin lambda-like polypeptide 1; AltName: Full=CD179 antigen-like family member B; AltName: Full=Ig lamb" 100.00 213 100.00 100.00 1.74e-06 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $lambda_5_22-45_peptide 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 $lambda_5_22-45_peptide '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 _Isotopic_labeling 'potassium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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 303 . K pH 5.2 . pH pressure 1 . atm 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 water H 1 protons ppm 4.689 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 lambda_5_22-45_peptide _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 SER HA H 4.044 0.000 1 2 2 2 ARG H H 8.714 0.005 1 3 2 2 ARG HA H 4.263 0.005 1 4 2 2 ARG HB2 H 1.721 0.002 2 5 2 2 ARG HB3 H 1.650 0.002 2 6 2 2 ARG HG2 H 1.510 0.000 2 7 2 2 ARG HG3 H 1.510 0.000 2 8 2 2 ARG HD2 H 3.035 0.009 2 9 2 2 ARG HD3 H 3.035 0.009 2 10 3 3 SER H H 8.369 0.003 1 11 3 3 SER HA H 4.320 0.002 1 12 3 3 SER HB2 H 3.739 0.000 2 13 3 3 SER HB3 H 3.695 0.001 2 14 4 4 SER H H 8.318 0.001 1 15 4 4 SER HA H 4.317 0.002 1 16 4 4 SER HB2 H 3.767 0.006 2 17 4 4 SER HB3 H 3.714 0.003 2 18 5 5 LEU H H 8.125 0.001 1 19 5 5 LEU HA H 4.160 0.006 1 20 5 5 LEU HB2 H 1.491 0.002 2 21 5 5 LEU HB3 H 1.491 0.002 2 22 5 5 LEU HG H 1.466 0.009 1 23 5 5 LEU HD1 H 0.729 0.023 . 24 5 5 LEU HD2 H 0.749 0.030 . 25 6 6 ARG H H 8.154 0.003 1 26 6 6 ARG HA H 4.107 0.002 1 27 6 6 ARG HB2 H 1.653 0.002 2 28 6 6 ARG HB3 H 1.567 0.004 2 29 6 6 ARG HG2 H 1.378 0.004 2 30 6 6 ARG HG3 H 1.378 0.004 2 31 6 6 ARG HD2 H 2.962 0.007 2 32 6 6 ARG HD3 H 2.962 0.007 2 33 7 7 SER H H 8.091 0.002 1 34 7 7 SER HA H 4.235 0.002 1 35 7 7 SER HB2 H 3.712 0.000 2 36 7 7 SER HB3 H 3.636 0.002 2 37 8 8 ARG H H 8.166 0.005 1 38 8 8 ARG HA H 4.060 0.002 1 39 8 8 ARG HB2 H 1.447 0.005 2 40 8 8 ARG HB3 H 1.447 0.005 2 41 8 8 ARG HG2 H 1.172 0.001 2 42 8 8 ARG HG3 H 1.172 0.001 2 43 8 8 ARG HD2 H 2.834 0.004 2 44 8 8 ARG HD3 H 2.834 0.004 2 45 8 8 ARG HE H 6.873 0.001 1 46 9 9 TRP H H 7.934 0.002 1 47 9 9 TRP HA H 4.570 0.003 1 48 9 9 TRP HB2 H 3.193 0.001 2 49 9 9 TRP HB3 H 3.048 0.002 2 50 9 9 TRP HD1 H 7.073 0.003 1 51 9 9 TRP HE1 H 9.986 0.001 1 52 9 9 TRP HE3 H 7.432 0.005 1 53 9 9 TRP HZ2 H 7.321 0.004 1 54 10 10 GLY H H 7.995 0.002 1 55 10 10 GLY HA2 H 3.645 0.002 2 56 10 10 GLY HA3 H 3.700 0.005 2 57 11 11 ARG H H 7.931 0.002 1 58 11 11 ARG HA H 4.024 0.002 1 59 11 11 ARG HB2 H 1.477 0.005 2 60 11 11 ARG HB3 H 1.430 0.006 2 61 11 11 ARG HG2 H 1.245 0.003 2 62 11 11 ARG HG3 H 1.245 0.003 2 63 11 11 ARG HD2 H 2.920 0.004 2 64 11 11 ARG HD3 H 2.920 0.004 2 65 11 11 ARG HE H 6.968 0.002 1 66 12 12 PHE H H 8.027 0.001 1 67 12 12 PHE HA H 4.447 0.002 1 68 12 12 PHE HB2 H 2.984 0.004 2 69 12 12 PHE HB3 H 2.822 0.006 2 70 12 12 PHE HD1 H 7.041 0.001 3 71 12 12 PHE HD2 H 7.041 0.001 3 72 12 12 PHE HE1 H 7.140 0.005 3 73 12 12 PHE HE2 H 7.140 0.005 3 74 13 13 LEU H H 7.893 0.001 1 75 13 13 LEU HA H 4.106 0.003 1 76 13 13 LEU HB2 H 1.676 0.000 2 77 13 13 LEU HB3 H 1.580 0.000 2 78 13 13 LEU HG H 1.348 0.003 1 79 13 13 LEU HD1 H 0.665 0.001 . 80 13 13 LEU HD2 H 0.709 0.001 . 81 14 14 LEU H H 7.920 0.001 1 82 14 14 LEU HA H 4.132 0.010 1 83 14 14 LEU HB2 H 1.424 0.002 2 84 14 14 LEU HB3 H 1.424 0.002 2 85 14 14 LEU HG H 1.352 0.000 1 86 14 14 LEU HD1 H 0.737 0.001 . 87 14 14 LEU HD2 H 0.700 0.003 . 88 15 15 GLN H H 8.117 0.002 1 89 15 15 GLN HA H 4.145 0.006 1 90 15 15 GLN HB2 H 1.811 0.007 2 91 15 15 GLN HB3 H 1.910 0.001 2 92 15 15 GLN HG2 H 2.146 0.005 2 93 15 15 GLN HG3 H 2.146 0.005 2 94 15 15 GLN HE21 H 7.336 0.000 2 95 15 15 GLN HE22 H 6.690 0.000 2 96 16 16 ARG H H 8.123 0.002 1 97 16 16 ARG HA H 4.167 0.007 1 98 16 16 ARG HB2 H 1.681 0.005 2 99 16 16 ARG HB3 H 1.585 0.007 2 100 16 16 ARG HG2 H 1.481 0.004 2 101 16 16 ARG HG3 H 1.432 0.001 2 102 16 16 ARG HD2 H 2.956 0.005 2 103 16 16 ARG HD3 H 2.956 0.005 2 104 16 16 ARG HE H 6.980 0.002 1 105 17 17 GLY H H 8.252 0.002 1 106 17 17 GLY HA2 H 3.769 0.001 2 107 17 17 GLY HA3 H 4.100 0.005 2 108 18 18 SER H H 8.029 0.002 1 109 18 18 SER HA H 4.315 0.002 1 110 18 18 SER HB2 H 3.675 0.002 2 111 18 18 SER HB3 H 3.675 0.002 2 112 19 19 TRP H H 8.159 0.001 1 113 19 19 TRP HA H 4.594 0.011 1 114 19 19 TRP HB2 H 3.115 0.004 2 115 19 19 TRP HB3 H 3.115 0.004 2 116 19 19 TRP HD1 H 7.050 0.002 1 117 19 19 TRP HE1 H 9.890 0.001 1 118 19 19 TRP HE3 H 7.440 0.003 1 119 19 19 TRP HZ2 H 7.312 0.000 1 120 20 20 THR H H 7.844 0.001 1 121 20 20 THR HA H 4.162 0.002 1 122 20 20 THR HB H 3.986 0.001 1 123 20 20 THR HG2 H 0.934 0.001 . 124 21 21 GLY H H 7.268 0.002 1 125 21 21 GLY HA2 H 3.717 0.000 2 126 21 21 GLY HA3 H 3.665 0.000 2 127 22 22 PRO HA H 4.287 0.001 1 128 22 22 PRO HB2 H 2.140 0.011 2 129 22 22 PRO HB3 H 2.140 0.011 2 130 22 22 PRO HG2 H 1.876 0.001 2 131 22 22 PRO HG3 H 1.847 0.001 2 132 22 22 PRO HD2 H 3.447 0.000 2 133 22 22 PRO HD3 H 3.412 0.012 2 134 23 23 ARG H H 8.392 0.004 1 135 23 23 ARG HA H 4.167 0.000 1 136 23 23 ARG HB2 H 1.694 0.002 2 137 23 23 ARG HB3 H 1.575 0.004 2 138 23 23 ARG HG2 H 1.426 0.004 2 139 23 23 ARG HG3 H 1.426 0.004 2 140 23 23 ARG HD2 H 2.940 0.003 2 141 23 23 ARG HD3 H 2.940 0.003 2 142 23 23 ARG HE H 6.946 0.007 1 143 24 24 CYS HA H 4.431 0.003 1 144 24 24 CYS HB2 H 2.995 0.000 2 145 24 24 CYS HB3 H 2.823 0.000 2 stop_ save_