data_6835 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structures of antimicrobial peptide Fowlicidin 1 ; _BMRB_accession_number 6835 _BMRB_flat_file_name bmr6835.str _Entry_type original _Submission_date 2005-09-21 _Accession_date 2005-09-21 _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 Xiao Y. . . 2 Dai H. . . 3 Bommineni Y. R. . 4 Prakash O. . . 5 Zhang G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 182 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-06-27 original author . stop_ _Original_release_date 2006-06-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Identification and functional characterization of three chicken cathelicidins with potent antimicrobial activity. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16326712 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xiao Y. . . 2 Cai Y. . . 3 Bommineni Y. R. . 4 Fernando S. C. . 5 Prakash O. . . 6 Gilliland S. E. . 7 Zhang G. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 281 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2858 _Page_last 2867 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Fowlicidin 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Fowlicidin 1' $Antimicrobial_peptide stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details 'Antimicrobial peptide' save_ ######################## # Monomeric polymers # ######################## save_Antimicrobial_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Fowlicidin 1' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 26 _Mol_residue_sequence ; RVKRVWPLVIRTVIAGYNLY RAIKKK ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 VAL 3 LYS 4 ARG 5 VAL 6 TRP 7 PRO 8 LEU 9 VAL 10 ILE 11 ARG 12 THR 13 VAL 14 ILE 15 ALA 16 GLY 17 TYR 18 ASN 19 LEU 20 TYR 21 ARG 22 ALA 23 ILE 24 LYS 25 LYS 26 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 15583 RG16 61.54 16 100.00 100.00 1.73e+00 BMRB 15667 LK19 73.08 19 100.00 100.00 2.56e-02 BMRB 15978 Fowlicidin-1 61.54 16 100.00 100.00 1.73e+00 BMRB 15979 Fowlicidin-1 73.08 19 100.00 100.00 2.56e-02 BMRB 20125 VK22 84.62 22 100.00 100.00 3.83e-05 BMRB 21013 RI23 88.46 23 100.00 100.00 1.10e-05 PDB 2AMN "Solution Structure Of Fowlicidin-1, A Novel Cathelicidin Antimicrobial Peptide From Chicken" 100.00 26 100.00 100.00 1.58e-07 DBJ BAF75952 "cathelicidin-1 [Gallus gallus]" 100.00 148 100.00 100.00 3.21e-09 GB AAS99323 "cathelicidin [Gallus gallus]" 100.00 148 100.00 100.00 3.21e-09 GB AAZ42399 "fowlicidin-1 [Gallus gallus]" 100.00 148 100.00 100.00 3.21e-09 GB AAZ65841 "fowlicidin-1 [Gallus gallus]" 100.00 148 100.00 100.00 2.66e-09 GB ACR22842 "fowlicidin-1 [Gallus gallus]" 100.00 148 100.00 100.00 3.21e-09 GB ADZ99028 "fowlicidin-1 [Gallus gallus]" 100.00 148 100.00 100.00 3.21e-09 REF NP_001001605 "cathelicidin-1 precursor [Gallus gallus]" 100.00 148 100.00 100.00 3.21e-09 SP Q6QLQ5 "RecName: Full=Cathelicidin-1; Short=CATH-1; AltName: Full=Fowlicidin-1; Flags: Precursor [Gallus gallus]" 100.00 148 100.00 100.00 3.21e-09 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Antimicrobial_peptide chicken 9031 Eukaryota Metazoa Gallus gallus 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 $Antimicrobial_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 $Antimicrobial_peptide 3.5 mM . TFE 50 % . H2O 50 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity plus' _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _Sample_label $sample_1 save_ save_1H-1H_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H DQF-COSY' _Sample_label $sample_1 save_ save_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _Sample_label $sample_1 save_ save_1H-1H_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H-1H_DQF-COSY _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H DQF-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H-1H_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5 0 pH pressure 1 0 atm temperature 308 0 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Fowlicidin 1' _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 ARG HA H 4.11 0.01 1 2 1 1 ARG HB2 H 1.96 0.01 1 3 1 1 ARG HB3 H 1.96 0.01 1 4 1 1 ARG HG2 H 1.71 0.01 1 5 1 1 ARG HG3 H 1.71 0.01 1 6 1 1 ARG HD2 H 3.23 0.01 1 7 1 1 ARG HD3 H 3.23 0.01 1 8 1 1 ARG HE H 7.22 0.01 1 9 2 2 VAL H H 8.34 0.01 1 10 2 2 VAL HA H 4.18 0.01 1 11 2 2 VAL HB H 2.08 0.01 1 12 2 2 VAL HG1 H 0.98 0.01 1 13 2 2 VAL HG2 H 0.98 0.01 1 14 3 3 LYS H H 8.11 0.01 1 15 3 3 LYS HA H 4.83 0.01 1 16 3 3 LYS HB2 H 1.82 0.01 2 17 3 3 LYS HB3 H 1.71 0.01 2 18 3 3 LYS HG2 H 1.49 0.01 1 19 3 3 LYS HG3 H 1.49 0.01 1 20 3 3 LYS HD2 H 1.39 0.01 1 21 3 3 LYS HD3 H 1.39 0.01 1 22 3 3 LYS HE2 H 2.99 0.01 1 23 3 3 LYS HE3 H 2.99 0.01 1 24 4 4 ARG H H 8.01 0.01 1 25 4 4 ARG HA H 4.31 0.01 1 26 4 4 ARG HB2 H 1.62 0.01 1 27 4 4 ARG HB3 H 1.62 0.01 1 28 4 4 ARG HG2 H 1.41 0.01 1 29 4 4 ARG HG3 H 1.41 0.01 1 30 4 4 ARG HD2 H 3.09 0.01 1 31 4 4 ARG HD3 H 3.09 0.01 1 32 4 4 ARG HE H 7.08 0.01 1 33 5 5 VAL H H 7.6 0.01 1 34 5 5 VAL HA H 4.25 0.01 1 35 5 5 VAL HB H 2.2 0.01 1 36 5 5 VAL HG1 H 0.93 0.01 1 37 5 5 VAL HG2 H 0.93 0.01 1 38 6 6 TRP H H 7.74 0.01 1 39 6 6 TRP HA H 4.75 0.01 1 40 6 6 TRP HB2 H 3.37 0.01 1 41 6 6 TRP HB3 H 3.37 0.01 1 42 6 6 TRP HD1 H 7.26 0.01 1 43 6 6 TRP HE1 H 9.75 0.01 1 44 6 6 TRP HE3 H 7.52 0.01 1 45 6 6 TRP HZ2 H 7.45 0.01 1 46 6 6 TRP HZ3 H 7.09 0.01 1 47 6 6 TRP HH2 H 7.2 0.01 1 48 7 7 PRO HA H 4.19 0.01 1 49 7 7 PRO HB2 H 2.3 0.01 2 50 7 7 PRO HB3 H 1.67 0.01 2 51 7 7 PRO HG2 H 1.98 0.01 1 52 7 7 PRO HG3 H 1.98 0.01 1 53 7 7 PRO HD2 H 3.59 0.01 1 54 7 7 PRO HD3 H 3.59 0.01 1 55 8 8 LEU H H 7.23 0.01 1 56 8 8 LEU HA H 4.15 0.01 1 57 8 8 LEU HB2 H 1.74 0.01 1 58 8 8 LEU HB3 H 1.74 0.01 1 59 8 8 LEU HG H 1.64 0.01 1 60 8 8 LEU HD1 H 0.94 0.01 1 61 8 8 LEU HD2 H 0.86 0.01 1 62 9 9 VAL H H 7.67 0.01 1 63 9 9 VAL HA H 3.62 0.01 1 64 9 9 VAL HB H 2.25 0.01 1 65 9 9 VAL HG1 H 0.99 0.01 1 66 9 9 VAL HG2 H 0.93 0.01 1 67 10 10 ILE H H 7.86 0.01 1 68 10 10 ILE HA H 3.73 0.01 1 69 10 10 ILE HB H 1.82 0.01 1 70 10 10 ILE HG12 H 1.5 0.01 2 71 10 10 ILE HG13 H 1.21 0.01 2 72 10 10 ILE HG2 H 0.88 0.01 1 73 10 10 ILE HD1 H 0.88 0.01 1 74 11 11 ARG H H 7.72 0.01 1 75 11 11 ARG HA H 3.96 0.01 1 76 11 11 ARG HB2 H 1.96 0.01 1 77 11 11 ARG HB3 H 1.96 0.01 1 78 11 11 ARG HG2 H 1.89 0.01 1 79 11 11 ARG HG3 H 1.89 0.01 1 80 11 11 ARG HD2 H 3.16 0.01 1 81 11 11 ARG HD3 H 3.16 0.01 1 82 11 11 ARG HE H 7.07 0.01 1 83 12 12 THR H H 7.74 0.01 1 84 12 12 THR HA H 3.99 0.01 1 85 12 12 THR HB H 4.44 0.01 1 86 12 12 THR HG2 H 1.29 0.01 1 87 13 13 VAL H H 8.18 0.01 1 88 13 13 VAL HA H 3.72 0.01 1 89 13 13 VAL HB H 2.27 0.01 1 90 13 13 VAL HG1 H 1.06 0.01 1 91 13 13 VAL HG2 H 1.06 0.01 1 92 14 14 ILE H H 8.28 0.01 1 93 14 14 ILE HA H 3.78 0.01 1 94 14 14 ILE HB H 1.94 0.01 1 95 14 14 ILE HG12 H 1.57 0.01 2 96 14 14 ILE HG13 H 1.09 0.01 2 97 14 14 ILE HG2 H 0.96 0.01 1 98 14 14 ILE HD1 H 0.81 0.01 1 99 15 15 ALA H H 8.27 0.01 1 100 15 15 ALA HA H 4.2 0.01 1 101 15 15 ALA HB H 1.57 0.01 1 102 16 16 GLY H H 8.27 0.01 1 103 16 16 GLY HA2 H 3.92 0.01 1 104 16 16 GLY HA3 H 3.9 0.01 1 105 17 17 TYR H H 8.4 0.01 1 106 17 17 TYR HA H 4.38 0.01 1 107 17 17 TYR HB2 H 3.19 0.01 1 108 17 17 TYR HB3 H 3.19 0.01 1 109 17 17 TYR HD1 H 7.11 0.01 1 110 17 17 TYR HD2 H 7.11 0.01 1 111 17 17 TYR HE1 H 6.78 0.01 1 112 17 17 TYR HE2 H 6.78 0.01 1 113 18 18 ASN H H 8.3 0.01 1 114 18 18 ASN HA H 4.39 0.01 1 115 18 18 ASN HB2 H 2.99 0.01 2 116 18 18 ASN HB3 H 2.74 0.01 2 117 18 18 ASN HD21 H 7.44 0.01 2 118 18 18 ASN HD22 H 6.54 0.01 2 119 19 19 LEU H H 8.18 0.01 1 120 19 19 LEU HA H 4.18 0.01 1 121 19 19 LEU HB2 H 1.79 0.01 1 122 19 19 LEU HB3 H 1.79 0.01 1 123 19 19 LEU HG H 1.69 0.01 1 124 19 19 LEU HD1 H 0.92 0.01 1 125 19 19 LEU HD2 H 0.92 0.01 1 126 20 20 TYR H H 8.16 0.01 1 127 20 20 TYR HA H 4.14 0.01 1 128 20 20 TYR HB2 H 3.15 0.01 1 129 20 20 TYR HB3 H 3.15 0.01 1 130 20 20 TYR HD1 H 7.01 0.01 1 131 20 20 TYR HD2 H 7.01 0.01 1 132 20 20 TYR HE1 H 6.77 0.01 1 133 20 20 TYR HE2 H 6.77 0.01 1 134 21 21 ARG H H 7.96 0.01 1 135 21 21 ARG HA H 3.82 0.01 1 136 21 21 ARG HB2 H 1.81 0.01 2 137 21 21 ARG HB3 H 1.66 0.01 2 138 21 21 ARG HG2 H 1.51 0.01 1 139 21 21 ARG HG3 H 1.51 0.01 1 140 21 21 ARG HD2 H 3.1 0.01 1 141 21 21 ARG HD3 H 3.1 0.01 1 142 21 21 ARG HE H 7.07 0.01 1 143 22 22 ALA H H 7.76 0.01 1 144 22 22 ALA HA H 4.15 0.01 1 145 22 22 ALA HB H 1.53 0.01 1 146 23 23 ILE H H 7.94 0.01 1 147 23 23 ILE HA H 3.95 0.01 1 148 23 23 ILE HB H 1.91 0.01 1 149 23 23 ILE HG12 H 1.61 0.01 2 150 23 23 ILE HG13 H 1.24 0.01 2 151 23 23 ILE HG2 H 0.9 0.01 1 152 23 23 ILE HD1 H 0.83 0.01 1 153 24 24 LYS H H 7.87 0.01 1 154 24 24 LYS HA H 4.16 0.01 1 155 24 24 LYS HB2 H 1.7 0.01 1 156 24 24 LYS HB3 H 1.7 0.01 1 157 24 24 LYS HG2 H 1.59 0.01 1 158 24 24 LYS HG3 H 1.59 0.01 1 159 24 24 LYS HD2 H 1.27 0.01 1 160 24 24 LYS HD3 H 1.27 0.01 1 161 24 24 LYS HE2 H 2.95 0.01 1 162 24 24 LYS HE3 H 2.95 0.01 1 163 25 25 LYS H H 7.76 0.01 1 164 25 25 LYS HA H 4.24 0.01 1 165 25 25 LYS HB2 H 1.88 0.01 1 166 25 25 LYS HB3 H 1.88 0.01 1 167 25 25 LYS HG2 H 1.7 0.01 1 168 25 25 LYS HG3 H 1.7 0.01 1 169 25 25 LYS HD2 H 1.5 0.01 1 170 25 25 LYS HD3 H 1.5 0.01 1 171 25 25 LYS HE2 H 2.99 0.01 1 172 25 25 LYS HE3 H 2.99 0.01 1 173 26 26 LYS H H 7.75 0.01 1 174 26 26 LYS HA H 4.26 0.01 1 175 26 26 LYS HB2 H 1.91 0.01 1 176 26 26 LYS HB3 H 1.91 0.01 1 177 26 26 LYS HG2 H 1.73 0.01 1 178 26 26 LYS HG3 H 1.73 0.01 1 179 26 26 LYS HD2 H 1.5 0.01 1 180 26 26 LYS HD3 H 1.5 0.01 1 181 26 26 LYS HE2 H 3.02 0.01 1 182 26 26 LYS HE3 H 3.02 0.01 1 stop_ save_