data_4390 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone dynamics of the human CC-chemokine eotaxin ; _BMRB_accession_number 4390 _BMRB_flat_file_name bmr4390.str _Entry_type original _Submission_date 1999-09-08 _Accession_date 1999-09-08 _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 Ye Jiqing . . 2 Mayer Kristen L. . 3 Stone Martin J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 S2_parameters 1 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 57 "T2 relaxation values" 57 "order parameters" 57 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-03 update BMRB 'tag T2_relaxation_value changed to T2_value and Tau_e value changed from ns to ps' 2011-08-10 update BMRB 'Order parameter tags corrected' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone dynamics of the human CC-chemokine eotaxin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10605085 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ye Jiqing . . 2 Mayer Kristen L. . 3 Stone Martin J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 15 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 115 _Page_last 124 _Year 1999 _Details . loop_ _Keyword chemokines 'disulfide bond isomerization' eotaxin 'NMR relaxation' 'protein backbone dynamics' stop_ save_ ################################## # Molecular system description # ################################## save_system_eotaxin _Saveframe_category molecular_system _Mol_system_name 'CC-chemokine eotaxin' _Abbreviation_common eotaxin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label eotaxin $eotaxin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function 'chemoattractant for eosinophils' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_eotaxin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CC-chemokine eotaxin' _Abbreviation_common eotaxin _Molecular_mass 8347 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; GPASVPTTCCFNLANRKIPL QRLESYRRITSGKCPQKAVI FKTKLAKDICADPKKKWVQD SMKYLDQKSPTPKP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 ALA 4 SER 5 VAL 6 PRO 7 THR 8 THR 9 CYS 10 CYS 11 PHE 12 ASN 13 LEU 14 ALA 15 ASN 16 ARG 17 LYS 18 ILE 19 PRO 20 LEU 21 GLN 22 ARG 23 LEU 24 GLU 25 SER 26 TYR 27 ARG 28 ARG 29 ILE 30 THR 31 SER 32 GLY 33 LYS 34 CYS 35 PRO 36 GLN 37 LYS 38 ALA 39 VAL 40 ILE 41 PHE 42 LYS 43 THR 44 LYS 45 LEU 46 ALA 47 LYS 48 ASP 49 ILE 50 CYS 51 ALA 52 ASP 53 PRO 54 LYS 55 LYS 56 LYS 57 TRP 58 VAL 59 GLN 60 ASP 61 SER 62 MET 63 LYS 64 TYR 65 LEU 66 ASP 67 GLN 68 LYS 69 SER 70 PRO 71 THR 72 PRO 73 LYS 74 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-04 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 19989 entity_1 100.00 74 100.00 100.00 2.31e-45 BMRB 4155 Eotaxin 98.65 74 100.00 100.00 2.95e-44 PDB 1EOT "Solution Nmr Structure Of Eotaxin, Minimized Average Structure" 100.00 74 100.00 100.00 2.31e-45 PDB 2EOT "Solution Structure Of Eotaxin, An Ensemble Of 32 Nmr Solution Structures" 100.00 74 100.00 100.00 2.31e-45 PDB 2MPM "Structural Basis Of Receptor Sulfotyrosine Recognition By A Cc Chemokine: The N-terminal Region Of Ccr3 Bound To Ccl11/eotaxin-" 100.00 74 100.00 100.00 2.31e-45 DBJ BAA08370 "eotaxin [Homo sapiens]" 100.00 97 100.00 100.00 1.17e-45 DBJ BAG72995 "chemokine (C-C motif) ligand 11 [synthetic construct]" 100.00 97 100.00 100.00 1.17e-45 EMBL CAA99997 "CC-chemokine [Homo sapiens]" 100.00 97 98.65 100.00 2.51e-45 EMBL CAA99998 "CC-chemokine [Homo sapiens]" 51.35 61 97.37 97.37 1.88e-17 EMBL CAB07027 "eotaxin [Homo sapiens]" 100.00 97 98.65 100.00 2.51e-45 EMBL CAG33702 "CCL11 [Homo sapiens]" 100.00 97 100.00 100.00 1.17e-45 GB AAA98957 "eotaxin precursor [Homo sapiens]" 100.00 97 100.00 100.00 1.17e-45 GB AAC50369 "eotaxin precursor [Homo sapiens]" 100.00 97 100.00 100.00 1.17e-45 GB AAC51297 "eotaxin precursor [Homo sapiens]" 100.00 97 100.00 100.00 1.17e-45 GB AAH17850 "Chemokine (C-C motif) ligand 11 [Homo sapiens]" 100.00 97 100.00 100.00 1.17e-45 GB ABK41951 "chemokine (C-C motif) ligand 11 [Homo sapiens]" 100.00 97 100.00 100.00 1.17e-45 PRF 2208449A eotaxin 100.00 97 100.00 100.00 1.17e-45 REF NP_002977 "eotaxin precursor [Homo sapiens]" 100.00 97 100.00 100.00 1.17e-45 REF XP_002827294 "PREDICTED: eotaxin [Pongo abelii]" 100.00 97 97.30 98.65 5.21e-44 REF XP_003818054 "PREDICTED: eotaxin [Pan paniscus]" 100.00 97 100.00 100.00 1.17e-45 REF XP_004041989 "PREDICTED: eotaxin-like [Gorilla gorilla gorilla]" 100.00 97 98.65 98.65 1.37e-44 REF XP_004041990 "PREDICTED: eotaxin-like [Gorilla gorilla gorilla]" 100.00 97 98.65 98.65 1.37e-44 SP P51671 "RecName: Full=Eotaxin; AltName: Full=C-C motif chemokine 11; AltName: Full=Eosinophil chemotactic protein; AltName: Full=Small-" 100.00 97 100.00 100.00 1.17e-45 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $eotaxin 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_type _Vector_name $eotaxin 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid . 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 $eotaxin 0.8 mM [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 95 loop_ _Task 'spectral processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity-INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N' _Sample_label . save_ save_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.00 0.05 n/a temperature 303 0.5 K stop_ save_ save_T1_relaxation_eotaxin _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Spectrometer_frequency_1H 500 _T1_coherence_type Nz _T1_value_units Hz _Mol_system_component_name eotaxin _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ALA N 0.724 0.007 2 4 SER N 0.913 0.010 3 5 VAL N 1.186 0.014 4 7 THR N 1.656 0.024 5 8 THR N 1.844 0.048 6 9 CYS N 1.956 0.034 7 12 ASN N 1.881 0.053 8 13 LEU N 2.021 0.052 9 14 ALA N 2.073 0.046 10 16 ARG N 1.944 0.060 11 17 LYS N 2.092 0.024 12 18 ILE N 2.315 0.086 13 20 LEU N 2.307 0.026 14 21 GLN N 2.252 0.027 15 22 ARG N 2.342 0.036 16 23 LEU N 2.160 0.032 17 24 GLU N 2.184 0.047 18 25 SER N 2.260 0.034 19 26 TYR N 2.216 0.035 20 27 ARG N 2.497 0.074 21 28 ARG N 2.112 0.037 22 30 THR N 2.395 0.134 23 31 SER N 1.996 0.079 24 32 GLY N 1.923 0.114 25 33 LYS N 2.132 0.045 26 36 GLN N 2.075 0.034 27 37 LYS N 2.025 0.071 28 38 ALA N 1.811 0.030 29 39 VAL N 2.240 0.055 30 40 ILE N 2.237 0.046 31 41 PHE N 2.139 0.054 32 42 LYS N 2.281 0.044 33 43 THR N 2.070 0.038 34 45 LEU N 2.105 0.055 35 46 ALA N 2.022 0.030 36 47 LYS N 1.975 0.031 37 49 ILE N 2.022 0.048 38 50 CYS N 2.105 0.034 39 51 ALA N 2.225 0.062 40 52 ASP N 2.215 0.048 41 54 LYS N 2.150 0.031 42 55 LYS N 2.194 0.036 43 56 LYS N 2.245 0.072 44 57 TRP N 2.415 0.031 45 58 VAL N 2.358 0.035 46 59 GLN N 2.246 0.031 47 60 ASP N 2.240 0.026 48 61 SER N 2.096 0.032 49 62 MET N 2.190 0.035 50 63 LYS N 2.223 0.030 51 64 TYR N 2.247 0.030 52 65 LEU N 2.147 0.039 53 66 ASP N 2.073 0.028 54 68 LYS N 1.866 0.027 55 69 SER N 1.768 0.019 56 71 THR N 1.249 0.010 57 73 LYS N 1.106 0.014 stop_ save_ save_T2_relaxation_eotaxin _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Spectrometer_frequency_1H 500 _T2_coherence_type Nz _T2_value_units Hz _Mol_system_component_name eotaxin _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 ALA N 1.922 0.013 . . 2 4 SER N 2.344 0.016 . . 3 5 VAL N 2.638 0.020 . . 4 7 THR N 4.683 0.042 . . 5 8 THR N 9.051 0.314 . . 6 9 CYS N 5.989 0.069 . . 7 12 ASN N 9.232 0.353 . . 8 13 LEU N 7.281 0.135 . . 9 14 ALA N 6.700 0.106 . . 10 16 ARG N 5.576 0.072 . . 11 17 LYS N 6.453 0.133 . . 12 18 ILE N 6.185 0.270 . . 13 20 LEU N 6.636 0.124 . . 14 21 GLN N 6.464 0.132 . . 15 22 ARG N 5.993 0.067 . . 16 23 LEU N 6.577 0.070 . . 17 24 GLU N 6.530 0.105 . . 18 25 SER N 6.144 0.069 . . 19 26 TYR N 6.962 0.177 . . 20 27 ARG N 6.341 0.085 . . 21 28 ARG N 6.545 0.201 . . 22 30 THR N 7.319 0.180 . . 23 31 SER N 9.988 0.543 . . 24 32 GLY N 6.108 0.251 . . 25 33 LYS N 8.320 0.133 . . 26 36 GLN N 7.867 0.104 . . 27 37 LYS N 11.710 0.333 . . 28 38 ALA N 7.531 0.190 . . 29 39 VAL N 6.311 0.105 . . 30 40 ILE N 7.204 0.110 . . 31 41 PHE N 6.099 0.121 . . 32 42 LYS N 6.376 0.086 . . 33 43 THR N 6.707 0.091 . . 34 45 LEU N 6.250 0.114 . . 35 46 ALA N 5.697 0.056 . . 36 47 LYS N 5.617 0.061 . . 37 49 ILE N 6.267 0.108 . . 38 50 CYS N 6.234 0.073 . . 39 51 ALA N 13.898 0.430 . . 40 52 ASP N 5.965 0.090 . . 41 54 LYS N 6.208 0.061 . . 42 55 LYS N 6.106 0.071 . . 43 56 LYS N 6.711 0.164 . . 44 57 TRP N 7.344 0.150 . . 45 58 VAL N 6.462 0.074 . . 46 59 GLN N 6.082 0.063 . . 47 60 ASP N 6.540 0.055 . . 48 61 SER N 6.304 0.068 . . 49 62 MET N 6.117 0.069 . . 50 63 LYS N 6.203 0.060 . . 51 64 TYR N 6.428 0.061 . . 52 65 LEU N 6.354 0.081 . . 53 66 ASP N 5.946 0.056 . . 54 68 LYS N 4.849 0.046 . . 55 69 SER N 4.388 0.123 . . 56 71 THR N 2.000 0.013 . . 57 73 LYS N 1.650 0.016 . . stop_ save_ save_heteronuclear_NOE_eotaxin _Saveframe_category heteronuclear_NOE _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Spectrometer_frequency_1H 500 _Mol_system_component_name eotaxin _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type . _NOE_reference_value . _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 ALA -1.278 0.020 4 SER -1.162 0.020 5 VAL -0.594 0.020 7 THR -0.005 0.020 8 THR 0.314 0.020 9 CYS 0.442 0.020 12 ASN 0.550 0.020 13 LEU 0.650 0.020 14 ALA 0.636 0.020 16 ARG 0.480 0.020 17 LYS 0.571 0.020 18 ILE 0.619 0.020 20 LEU 0.672 0.020 21 GLN 0.633 0.020 22 ARG 0.659 0.020 23 LEU 0.674 0.020 24 GLU 0.655 0.020 25 SER 0.673 0.020 26 TYR 0.628 0.020 27 ARG 0.676 0.020 28 ARG 0.621 0.020 30 THR 0.549 0.020 31 SER 0.546 0.020 32 GLY 0.650 0.020 33 LYS 0.465 0.020 36 GLN 0.577 0.020 37 LYS 0.583 0.020 38 ALA 0.279 0.020 39 VAL 0.701 0.020 40 ILE 0.718 0.020 41 PHE 0.750 0.020 42 LYS 0.681 0.020 43 THR 0.684 0.020 45 LEU 0.488 0.020 46 ALA 0.582 0.020 47 LYS 0.686 0.020 49 ILE 0.652 0.020 50 CYS 0.634 0.020 51 ALA 0.643 0.020 52 ASP 0.620 0.020 54 LYS 0.698 0.020 55 LYS 0.647 0.020 56 LYS 0.693 0.020 57 TRP 0.623 0.020 58 VAL 0.676 0.020 59 GLN 0.630 0.020 60 ASP 0.678 0.020 61 SER 0.635 0.020 62 MET 0.663 0.020 63 LYS 0.680 0.020 64 TYR 0.632 0.020 65 LEU 0.635 0.020 66 ASP 0.660 0.020 68 LYS 0.473 0.020 69 SER 0.210 0.020 71 THR -0.605 0.020 73 LYS -0.993 0.020 stop_ save_ save_S2_parameters _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Mol_system_component_name eotaxin _Tau_e_value_units ps _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 3 ALA N . 0.135 0.002 74.1 1.2 . . . . . . . . . . 4 SER N . 0.178 0.002 95.4 1.7 . . . . . . . . . . 5 VAL N . 0.286 0.002 101.7 2.1 . . . . . . . . . . 7 THR N . 0.489 0.007 114.6 4.8 . . . . . . . . . . 8 THR N . 0.593 0.016 90.7 7.6 . . . . . . . . . . 9 CYS N . 0.648 0.012 78.0 6.2 . . . . . . . . . . 12 ASN N . 0.625 0.012 43.9 5.3 . . . . . . . . . . 13 LEU N . 0.691 0.018 29.6 5.8 . . . . . . . . . . 14 ALA N . 0.724 0.016 40.8 6.9 . . . . . . . . . . 16 ARG N . 0.674 0.008 75.4 6.5 . . . . . . . . . . 17 LYS N . 0.732 0.008 63.5 6.9 . . . . . . . . . . 18 ILE N . 0.778 0.022 63.2 12.2 . . . . . . . . . . 20 LEU N . 0.806 0.008 44.8 9.8 . . . . . . . . . . 21 GLN N . 0.779 0.009 53.8 8.7 . . . . . . . . . . 22 ARG N . 0.775 0.007 43.8 8.6 . . . . . . . . . . 23 LEU N . 0.749 0.012 31.4 7.1 . . . . . . . . . . 24 GLU N . 0.782 0.010 45.4 8.9 . . . . . . . . . . 25 SER N . 0.756 0.007 38.7 7.4 . . . . . . . . . . 26 TYR N . 0.789 0.011 60.8 9.7 . . . . . . . . . . 27 ARG N . 0.740 0.054 3184.5 820.1 0.883 0.019 . . . . . . . . 28 ARG N . 0.746 0.012 50.2 7.5 . . . . . . . . . . 30 THR N . 0.878 0.013 324.5 290.9 . . . . . . . . . . 31 SER N . 0.676 0.027 57.2 8.9 . . . . . . . . . . 32 GLY N . 0.725 0.025 34.1 7.7 . . . . . . . . . . 33 LYS N . 0.714 0.015 100.5 10.7 . . . . . . . . . . 36 GLN N . 0.689 0.012 50.4 6.0 . . . . . . . . . . 37 LYS N . 0.673 0.024 44.9 7.0 . . . . . . . . . . 38 ALA N . 0.569 0.010 90.0 5.2 . . . . . . . . . . 39 VAL N . 0.774 0.011 26.2 8.1 . . . . . . . . . . 40 ILE N . 0.846 0.010 0.0 0.0 . . . . . . . . . . 41 PHE N . 0.750 0.012 0.0 0.0 . . . . . . . . . . 42 LYS N . 0.783 0.009 37.1 8.7 . . . . . . . . . . 43 THR N . 0.730 0.014 25.8 6.4 . . . . . . . . . . 45 LEU N . 0.687 0.018 79.0 9.2 . . . . . . . . . . 46 ALA N . 0.688 0.006 50.3 5.6 . . . . . . . . . . 47 LYS N . 0.685 0.006 21.2 5.1 . . . . . . . . . . 49 ILE N . 0.737 0.010 36.5 6.9 . . . . . . . . . . 50 CYS N . 0.743 0.007 45.1 7.1 . . . . . . . . . . 51 ALA N . 0.779 0.022 52.2 10.6 . . . . . . . . . . 52 ASP N . 0.730 0.009 50.1 7.0 . . . . . . . . . . 54 LYS N . 0.758 0.006 23.6 7.3 . . . . . . . . . . 55 LYS N . 0.757 0.008 42.8 7.7 . . . . . . . . . . 56 LYS N . 0.803 0.016 34.9 10.1 . . . . . . . . . . 57 TRP N . 0.851 0.010 101.7 16.9 . . . . . . . . . . 58 VAL N . 0.810 0.008 43.8 10.4 . . . . . . . . . . 59 GLN N . 0.753 0.007 53.1 7.6 . . . . . . . . . . 60 ASP N . 0.790 0.006 38.4 8.7 . . . . . . . . . . 61 SER N . 0.724 0.011 40.7 6.4 . . . . . . . . . . 62 MET N . 0.758 0.007 36.6 7.6 . . . . . . . . . . 63 LYS N . 0.765 0.006 34.0 7.7 . . . . . . . . . . 64 TYR N . 0.776 0.006 57.4 8.6 . . . . . . . . . . 65 LEU N . 0.762 0.008 48.8 8.0 . . . . . . . . . . 66 ASP N . 0.726 0.006 31.7 6.3 . . . . . . . . . . 68 LYS N . 0.739 0.023 1045.5 130.8 0.725 0.010 . . . . . . . . 69 SER N . 0.540 0.006 94.2 4.0 . . . . . . . . . . 71 THR N . 0.204 0.007 811.1 16.9 0.622 0.006 . . . . . . . . 73 LYS N . 0.144 0.009 686.4 16.1 0.602 0.008 . . . . . . . . stop_ _Tau_s_value_units . save_