data_18385 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Characterization of the chromoshadow domain-mediated binding of heterochromatin protein 1 alpha (HP1 alpha) to histone H3: Backbone 1H, 15N chemical shift assignments for histone H3 (1-59) ; _BMRB_accession_number 18385 _BMRB_flat_file_name bmr18385.str _Entry_type original _Submission_date 2012-04-10 _Accession_date 2012-04-10 _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 Richart Alexandria N. . 2 Clair Brunner I. . 3 Katherine Stott . . 4 Natalia Murzina V. . 5 Jean Thomas O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 55 "15N chemical shifts" 55 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-06-14 update BMRB 'update entry citation' 2012-05-21 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18386 'HP1 CSDalpha(109-185)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Characterization of Chromoshadow Domain-mediated Binding of Heterochromatin Protein 1 (HP1) to Histone H3.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22493481 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Richart Alexandria N. . 2 Brunner Clair I.W. . 3 Stott Katherine . . 4 Murzina Natalia V. . 5 Thomas Jean O. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18730 _Page_last 18737 _Year 2012 _Details . loop_ _Keyword chromatin 'chromoshadow domain' 'H3 alpha-N helix' 'histone H3' HP1 NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name H3(1-59) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label H3(1-59) $H3(1-59) stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_H3(1-59) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common H3(1-59) _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; ARTKQTARKSTGGKAPRKQL ATKAARKSAPATGGVKKPHR YRPGTVALREIRRYQKSTE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 ARG 3 3 THR 4 4 LYS 5 5 GLN 6 6 THR 7 7 ALA 8 8 ARG 9 9 LYS 10 10 SER 11 11 THR 12 12 GLY 13 13 GLY 14 14 LYS 15 15 ALA 16 16 PRO 17 17 ARG 18 18 LYS 19 19 GLN 20 20 LEU 21 21 ALA 22 22 THR 23 23 LYS 24 24 ALA 25 25 ALA 26 26 ARG 27 27 LYS 28 28 SER 29 29 ALA 30 30 PRO 31 31 ALA 32 32 THR 33 33 GLY 34 34 GLY 35 35 VAL 36 36 LYS 37 37 LYS 38 38 PRO 39 39 HIS 40 40 ARG 41 41 TYR 42 42 ARG 43 43 PRO 44 44 GLY 45 45 THR 46 46 VAL 47 47 ALA 48 48 LEU 49 49 ARG 50 50 GLU 51 51 ILE 52 52 ARG 53 53 ARG 54 54 TYR 55 55 GLN 56 56 LYS 57 57 SER 58 58 THR 59 59 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 1AOI "Complex Between Nucleosome Core Particle (H3,H4,H2a,H2b) And 146 Bp Long Dna Fragment" 67.80 116 100.00 100.00 5.73e-18 PDB 1EQZ "X-Ray Structure Of The Nucleosome Core Particle At 2.5 A Resolution" 100.00 136 100.00 100.00 1.15e-30 PDB 1F66 "2.6 A Crystal Structure Of A Nucleosome Core Particle Containing The Variant Histone H2a.Z" 100.00 136 98.31 98.31 1.10e-29 PDB 1HQ3 "Crystal Structure Of The Histone-Core-Octamer In KclPHOSPHATE" 100.00 136 100.00 100.00 1.15e-30 PDB 1KX3 "X-Ray Structure Of The Nucleosome Core Particle, Ncp146, At 2.0 A Resolution" 100.00 135 100.00 100.00 1.10e-30 PDB 1KX4 "X-Ray Structure Of The Nucleosome Core Particle, Ncp146b, At 2.6 A Resolution" 100.00 135 100.00 100.00 1.10e-30 PDB 1KX5 "X-ray Structure Of The Nucleosome Core Particle, Ncp147, At 1.9 A Resolution" 100.00 135 100.00 100.00 1.10e-30 PDB 1S32 "Molecular Recognition Of The Nucleosomal 'supergroove'" 100.00 135 100.00 100.00 1.10e-30 PDB 1TZY "Crystal Structure Of The Core-Histone Octamer To 1.90 Angstrom Resolution" 100.00 136 100.00 100.00 1.15e-30 PDB 1U35 "Crystal Structure Of The Nucleosome Core Particle Containing The Histone Domain Of Macroh2a" 100.00 136 100.00 100.00 1.19e-30 PDB 1ZBB "Structure Of The 4_601_167 Tetranucleosome" 100.00 135 100.00 100.00 1.10e-30 PDB 1ZLA "X-Ray Structure Of A Kaposi's Sarcoma Herpesvirus Lana Peptide Bound To The Nucleosomal Core" 100.00 135 100.00 100.00 1.13e-30 PDB 2ARO "Crystal Structure Of The Native Histone Octamer To 2.1 Angstrom Resolution, Crystalised In The Presence Of S-nitrosoglutathione" 100.00 136 100.00 100.00 1.15e-30 PDB 2CV5 "Crystal Structure Of Human Nucleosome Core Particle" 100.00 136 100.00 100.00 1.19e-30 PDB 2F8N "2.9 Angstrom X-Ray Structure Of Hybrid Macroh2a Nucleosomes" 100.00 136 100.00 100.00 1.15e-30 PDB 2FJ7 "Crystal Structure Of Nucleosome Core Particle Containing A Poly (Da.Dt) Sequence Element" 100.00 135 100.00 100.00 1.10e-30 PDB 2HIO "Histone Octamer (Chicken), Chromosomal Protein" 100.00 136 100.00 100.00 1.15e-30 PDB 2IO5 "Crystal Structure Of The Cia- Histone H3-H4 Complex" 100.00 135 100.00 100.00 1.20e-30 PDB 2NQB "Drosophila Nucleosome Structure" 100.00 135 100.00 100.00 1.20e-30 PDB 2NZD "Nucleosome Core Particle Containing 145 Bp Of Dna" 100.00 135 100.00 100.00 1.10e-30 PDB 2PYO "Drosophila Nucleosome Core" 100.00 135 100.00 100.00 1.20e-30 PDB 3A6N "The Nucleosome Containing A Testis-Specific Histone Variant, Human H3t" 100.00 139 98.31 98.31 3.95e-30 PDB 3AFA "The Human Nucleosome Structure" 100.00 139 100.00 100.00 1.39e-30 PDB 3AV1 "The Human Nucleosome Structure Containing The Histone Variant H3.2" 100.00 139 100.00 100.00 1.42e-30 PDB 3AV2 "The Human Nucleosome Structure Containing The Histone Variant H3.3" 100.00 139 98.31 100.00 5.58e-30 PDB 3AYW "Crystal Structure Of Human Nucleosome Core Particle Containing H3k56q Mutation" 100.00 139 98.31 100.00 4.00e-30 PDB 3AZE "Crystal Structure Of Human Nucleosome Core Particle Containing H3k64q Mutation" 100.00 139 100.00 100.00 1.40e-30 PDB 3AZF "Crystal Structure Of Human Nucleosome Core Particle Containing H3k79q Mutation" 100.00 139 100.00 100.00 1.40e-30 PDB 3AZG "Crystal Structure Of Human Nucleosome Core Particle Containing H3k115q Mutation" 100.00 139 100.00 100.00 1.40e-30 PDB 3AZH "Crystal Structure Of Human Nucleosome Core Particle Containing H3k122q Mutation" 100.00 139 100.00 100.00 1.40e-30 PDB 3AZI "Crystal Structure Of Human Nucleosome Core Particle Containing H4k31q Mutation" 100.00 139 100.00 100.00 1.39e-30 PDB 3AZJ "Crystal Structure Of Human Nucleosome Core Particle Containing H4k44q Mutation" 100.00 139 100.00 100.00 1.39e-30 PDB 3AZK "Crystal Structure Of Human Nucleosome Core Particle Containing H4k59q Mutation" 100.00 139 100.00 100.00 1.39e-30 PDB 3AZL "Crystal Structure Of Human Nucleosome Core Particle Containing H4k77q Mutation" 100.00 139 100.00 100.00 1.39e-30 PDB 3AZM "Crystal Structure Of Human Nucleosome Core Particle Containing H4k79q Mutation" 100.00 139 100.00 100.00 1.39e-30 PDB 3AZN "Crystal Structure Of Human Nucleosome Core Particle Containing H4k91q Mutation" 100.00 139 100.00 100.00 1.39e-30 PDB 3B6F "Nucleosome Core Particle Treated With Cisplatin" 100.00 135 100.00 100.00 1.10e-30 PDB 3B6G "Nucleosome Core Particle Treated With Oxaliplatin" 100.00 135 100.00 100.00 1.10e-30 PDB 3C1B "The Effect Of H3 K79 Dimethylation And H4 K20 Trimethylation On Nucleosome And Chromatin Structure" 100.00 135 100.00 100.00 1.10e-30 PDB 3C1C "The Effect Of H3 K79 Dimethylation And H4 K20 Trimethylation On Nucleosome And Chromatin Structure" 100.00 135 100.00 100.00 1.02e-30 PDB 3C9K "Model Of Histone Octamer Tubular Crystals" 100.00 135 100.00 100.00 1.20e-30 PDB 3KUY "Dna Stretching In The Nucleosome Facilitates Alkylation By An Intercalating Antitumor Agent" 100.00 135 100.00 100.00 1.10e-30 PDB 3KXB "Structural Characterization Of H3k56q Nucleosomes And Nucleosomal Arrays" 100.00 135 98.31 100.00 2.96e-30 PDB 3LEL "Structural Insight Into The Sequence-Dependence Of Nucleosom Positioning" 100.00 136 100.00 100.00 9.39e-31 PDB 3LJA "Using Soft X-rays For A Detailed Picture Of Divalent Metal Binding In The Nucleosome" 100.00 135 100.00 100.00 1.10e-30 PDB 3LZ0 "Crystal Structure Of Nucleosome Core Particle Composed Of The Widom 601 Dna Sequence (Orientation 1)" 100.00 135 100.00 100.00 1.10e-30 PDB 3LZ1 "Crystal Structure Of Nucleosome Core Particle Composed Of The Widom 601 Dna Sequence (Orientation 2)" 100.00 135 100.00 100.00 1.10e-30 PDB 3MGP "Binding Of Cobalt Ions To The Nucleosome Core Particle" 100.00 135 100.00 100.00 1.10e-30 PDB 3MGQ "Binding Of Nickel Ions To The Nucleosome Core Particle" 100.00 135 100.00 100.00 1.10e-30 PDB 3MGR "Binding Of Rubidium Ions To The Nucleosome Core Particle" 100.00 135 100.00 100.00 1.10e-30 PDB 3MGS "Binding Of Cesium Ions To The Nucleosome Core Particle" 100.00 135 100.00 100.00 1.10e-30 PDB 3MNN "A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts In The Nucleosome Core" 100.00 135 100.00 100.00 1.10e-30 PDB 3MVD "Crystal Structure Of The Chromatin Factor Rcc1 In Complex With The Nucleosome Core Particle" 100.00 135 100.00 100.00 1.10e-30 PDB 3O62 "Nucleosome Core Particle Modified With A Cisplatin 1,3-Cis-{pt(Nh3) 2}2+-D(Gptpg) Intrastrand Cross-Link" 100.00 135 100.00 100.00 1.10e-30 PDB 3REH "2.5 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 145 Bp Alpha-Satellite Dna (Ncp145)" 100.00 135 100.00 100.00 1.10e-30 PDB 3REI "2.65 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 145 Bp Alpha-Satellite Dna (Ncp145) Derivatize" 100.00 135 100.00 100.00 1.10e-30 PDB 3REJ "2.55 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 146 Bp Alpha-Satellite Dna (Ncp146b)" 100.00 135 100.00 100.00 1.10e-30 PDB 3REK "2.6 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 146 Bp Alpha-Satellite Dna (Ncp146b) Derivatize" 100.00 135 100.00 100.00 1.10e-30 PDB 3REL "2.7 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 146 Bp Alpha-Satellite Dna (Ncp146b) Derivatize" 100.00 135 100.00 100.00 1.10e-30 PDB 3TU4 "Crystal Structure Of The Sir3 Bah Domain In Complex With A Nucleosome Core Particle." 100.00 135 100.00 100.00 1.10e-30 PDB 3UT9 "Crystal Structure Of Nucleosome Core Particle Assembled With A Palindromic Widom '601' Derivative (ncp-601l)" 100.00 135 100.00 100.00 1.10e-30 PDB 3UTA "Crystal Structure Of Nucleosome Core Particle Assembled With An Alpha- Satellite Sequence Containing Two Ttaaa Elements (ncp-ta" 100.00 135 100.00 100.00 1.10e-30 PDB 3UTB "Crystal Structure Of Nucleosome Core Particle Assembled With The 146b Alpha-satellite Sequence (ncp146b)" 100.00 135 100.00 100.00 1.10e-30 PDB 3W96 "Crystal Structure Of Human Nucleosome Core Particle Lacking H2a N- Terminal Region" 100.00 139 100.00 100.00 1.39e-30 PDB 3W97 "Crystal Structure Of Human Nucleosome Core Particle Lacking H2b N- Terminal Region" 100.00 139 100.00 100.00 1.39e-30 PDB 3W98 "Crystal Structure Of Human Nucleosome Core Particle Lacking H3.1 N- Terminal Region" 54.24 112 100.00 100.00 5.59e-13 PDB 3W99 "Crystal Structure Of Human Nucleosome Core Particle Lacking H4 N- Terminal Region" 100.00 139 100.00 100.00 1.39e-30 PDB 3WA9 "The Nucleosome Containing Human H2a.z.1" 100.00 139 100.00 100.00 1.39e-30 PDB 3WAA "The Nucleosome Containing Human H2a.z.2" 100.00 139 100.00 100.00 1.39e-30 PDB 3WKJ "The Nucleosome Containing Human Tsh2b" 100.00 139 100.00 100.00 1.39e-30 PDB 3WTP "Crystal Structure Of The Heterotypic Nucleosome Containing Human Cenp- A And H3.3" 100.00 140 98.31 100.00 1.00e-29 PDB 3X1S "Crystal Structure Of The Nucleosome Core Particle" 100.00 135 100.00 100.00 1.33e-30 PDB 3X1T "Crystal Structure Of Nucleosome Core Particle Consisting Of Mouse Testis Specific Histone Variants H2aa And H2ba" 100.00 135 100.00 100.00 1.33e-30 PDB 3X1U "Crystal Structure Of Nucleosome Core Particle In The Presence Of Histone Variants Involved In Reprogramming" 100.00 135 100.00 100.00 1.33e-30 PDB 3X1V "Crystal Structure Of Nucleosome Core Particle In The Presence Of Histone Variant Involved In Reprogramming" 100.00 135 100.00 100.00 1.33e-30 PDB 4H9N "Complex Structure 1 Of DaxxH3.3(SUB5)H4" 100.00 135 98.31 100.00 3.92e-30 PDB 4H9O "Complex Structure 2 Of DaxxH3.3(SUB5,G90M)H4" 100.00 135 98.31 100.00 2.90e-30 PDB 4H9P "Complex Structure 3 Of DaxxH3.3(SUB5,G90A)H4" 100.00 135 98.31 100.00 3.30e-30 PDB 4H9Q "Complex Structure 4 Of Daxx(E225a)H3.3(SUB5)H4" 100.00 135 98.31 100.00 3.92e-30 PDB 4H9R "Complex Structure 5 Of Daxx(E225a)H3.3(SUB5,G90A)H4" 100.00 135 98.31 100.00 3.30e-30 PDB 4H9S "Complex Structure 6 Of DaxxH3.3(SUB7)H4" 100.00 135 98.31 100.00 4.97e-30 PDB 4HGA "Structure Of The Variant Histone H3.3-h4 Heterodimer In Complex With Its Chaperone Daxx" 100.00 136 98.31 100.00 4.25e-30 PDB 4J8U "X-ray Structure Of Ncp145 With Chlorido(eta-6-p-cymene)(n-phenyl-2- Pyridinecarbothioamide)osmium(ii)" 100.00 135 100.00 100.00 1.10e-30 PDB 4J8V "X-ray Structure Of Ncp145 With Bound Chlorido(eta-6-p-cymene)(n- Phenyl-2-pyridinecarbothioamide)ruthenium(ii)" 100.00 135 100.00 100.00 1.10e-30 PDB 4J8W "X-ray Structure Of Ncp145 With Chlorido(eta-6-p-cymene)(n- Fluorophenyl-2-pyridinecarbothioamide)osmium(ii)" 100.00 135 100.00 100.00 1.10e-30 PDB 4J8X "X-ray Structure Of Ncp145 With Bound Chlorido(eta-6-p-cymene)(n- Fluorophenyl-2-pyridinecarbothioamide)ruthenium(ii)" 100.00 135 100.00 100.00 1.10e-30 PDB 4KGC "Nucleosome Core Particle Containing (eta6-p-cymene)-(1, 2- Ethylenediamine)-ruthenium" 100.00 136 100.00 100.00 1.15e-30 PDB 4LD9 "Crystal Structure Of The N-terminally Acetylated Bah Domain Of Sir3 Bound To The Nucleosome Core Particle" 100.00 136 100.00 100.00 1.15e-30 PDB 4QLC "Crystal Structure Of Chromatosome At 3.5 Angstrom Resolution" 100.00 135 100.00 100.00 1.20e-30 PDB 4R8P "Crystal Structure Of The Ring1b/bmi1/ubch5c Prc1 Ubiquitylation Module Bound To The Nucleosome Core Particle" 100.00 135 100.00 100.00 1.10e-30 PDB 4UUZ "Mcm2-histone Complex" 100.00 136 100.00 100.00 1.15e-30 PDB 4WU8 "Structure Of Trptnap-ncp145" 100.00 135 100.00 100.00 1.10e-30 PDB 4WU9 "Structure Of Cisptnap-ncp145" 100.00 135 100.00 100.00 1.10e-30 PDB 5BS7 "Structure Of Histone H3/h4 In Complex With Spt2" 59.32 111 100.00 100.00 8.76e-15 PDB 5BSA "Structure Of Histone H3/h4 In Complex With Spt2" 57.63 110 100.00 100.00 2.96e-14 PDB 5C3I "Crystal Structure Of The Quaternary Complex Of Histone H3-h4 Heterodimer With Chaperone Asf1 And The Replicative Helicase Subun" 100.00 136 100.00 100.00 1.19e-30 DBJ BAA20144 "Histone H3 [Drosophila simulans]" 100.00 136 98.31 98.31 3.73e-30 DBJ BAA93621 "histone H3 [Drosophila melanogaster]" 100.00 136 100.00 100.00 1.15e-30 DBJ BAA93622 "histone H3 [Drosophila simulans]" 100.00 136 100.00 100.00 1.15e-30 DBJ BAA93623 "histone H3 [Drosophila sechellia]" 100.00 136 100.00 100.00 1.15e-30 DBJ BAA93624 "histone H3 [Drosophila mauritiana]" 100.00 136 100.00 100.00 1.15e-30 EMBL CAA24375 "unnamed protein product [Psammechinus miliaris]" 100.00 136 100.00 100.00 1.19e-30 EMBL CAA24647 "unnamed protein product [Strongylocentrotus purpuratus]" 100.00 136 100.00 100.00 1.53e-30 EMBL CAA24952 "unnamed protein product [Homo sapiens]" 100.00 136 100.00 100.00 1.19e-30 EMBL CAA25242 "unnamed protein product [Lytechinus pictus]" 100.00 136 100.00 100.00 1.19e-30 EMBL CAA25262 "unnamed protein product [Lytechinus pictus]" 100.00 136 100.00 100.00 1.19e-30 GB AAA19824 "H3 histone [Rattus norvegicus]" 100.00 136 100.00 100.00 1.19e-30 GB AAA29441 "histone H3 [Paracentrotus lividus]" 100.00 136 100.00 100.00 1.19e-30 GB AAA29965 "histone H3 [Spisula solidissima]" 100.00 136 98.31 100.00 4.25e-30 GB AAA30003 "histone H3 [Lytechinus pictus]" 100.00 136 100.00 100.00 1.31e-30 GB AAA30026 "histone H3 [Psammechinus miliaris]" 100.00 136 100.00 100.00 1.19e-30 PIR A56580 "histone H3 - midge (Chironomus thummi thummi)" 100.00 136 100.00 100.00 1.15e-30 PIR A56618 "histone H3 - spoonworm (Urechis caupo)" 100.00 136 100.00 100.00 1.15e-30 PIR A56654 "histone H3 - Tigriopus californicus" 100.00 136 100.00 100.00 1.15e-30 PIR I48113 "histone H3.2 - Chinese hamster (fragment)" 64.41 39 100.00 100.00 1.07e-13 PIR I49397 "histone H3.2 protein - shrew mouse" 100.00 136 100.00 100.00 1.15e-30 PRF 0710252A "histone H3" 100.00 135 100.00 100.00 1.20e-30 PRF 0806228A "histone H3 [Gallus gallus]" 100.00 135 100.00 100.00 1.20e-30 PRF 1202289A "histone H3" 100.00 135 98.31 100.00 3.37e-30 PRF 1920342A "histone H3" 100.00 136 98.31 98.31 1.30e-29 PRF 2021267A "histone H3.3" 100.00 136 98.31 100.00 4.79e-30 REF NP_001005101 "histone H3.3 [Xenopus (Silurana) tropicalis]" 100.00 136 98.31 100.00 4.25e-30 REF NP_001005464 "histone H3.2 [Homo sapiens]" 100.00 136 100.00 100.00 1.15e-30 REF NP_001013074 "histone H3.1 [Rattus norvegicus]" 100.00 136 100.00 100.00 1.19e-30 REF NP_001014411 "histone H3.3 [Bos taurus]" 100.00 136 98.31 100.00 4.25e-30 REF NP_001016636 "histone H3.2 [Xenopus (Silurana) tropicalis]" 100.00 136 100.00 100.00 1.15e-30 SP P02299 "RecName: Full=Histone H3" 100.00 136 100.00 100.00 1.15e-30 SP P06352 "RecName: Full=Histone H3, embryonic" 100.00 136 100.00 100.00 1.08e-30 SP P08898 "RecName: Full=Histone H3" 100.00 136 98.31 100.00 4.07e-30 SP P08903 "RecName: Full=Histone H3.2" 100.00 136 98.31 100.00 3.35e-30 SP P22843 "RecName: Full=Histone H3" 100.00 136 98.31 98.31 1.30e-29 TPG DAA16173 "TPA: histone cluster 1, H3f-like [Bos taurus]" 100.00 136 100.00 100.00 1.19e-30 TPG DAA16175 "TPA: histone cluster 1, H3f-like [Bos taurus]" 100.00 136 100.00 100.00 1.19e-30 TPG DAA16178 "TPA: histone cluster 1, H3f-like [Bos taurus]" 100.00 136 100.00 100.00 1.19e-30 TPG DAA16187 "TPA: histone cluster 1, H3f-like [Bos taurus]" 100.00 136 100.00 100.00 1.19e-30 TPG DAA16190 "TPA: histone cluster 1, H3f-like [Bos taurus]" 100.00 136 100.00 100.00 1.19e-30 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $H3(1-59) Humans 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 $H3(1-59) 'recombinant technology' . Escherichia coli . pGEX2TL 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 $H3(1-59) 0.5 mM '[U-95% 15N]' 'sodium phosphate' 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Saveframe_category software _Name AZARA _Version . loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _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_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N 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 'ionic strength' 0.01 . M pH 7.0 . pH pressure 1 . atm temperature 273 . 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 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 1H-15N TOCSY' '3D 1H-15N 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 H3(1-59) _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 ALA H H 8.426 0.002 1 2 1 1 ALA N N 124.683 0.020 1 3 2 2 ARG H H 8.573 0.002 1 4 2 2 ARG N N 120.952 0.020 1 5 3 3 THR H H 8.378 0.002 1 6 3 3 THR N N 115.564 0.020 1 7 4 4 LYS H H 8.587 0.002 1 8 4 4 LYS N N 123.665 0.020 1 9 5 5 GLN H H 8.677 0.002 1 10 5 5 GLN N N 121.879 0.020 1 11 6 6 THR H H 8.462 0.002 1 12 6 6 THR N N 116.344 0.020 1 13 7 7 ALA H H 8.571 0.002 1 14 7 7 ALA N N 126.703 0.020 1 15 8 8 ARG H H 8.590 0.002 1 16 8 8 ARG N N 121.024 0.020 1 17 9 9 LYS H H 8.715 0.002 1 18 9 9 LYS N N 123.420 0.020 1 19 10 10 SER H H 8.742 0.002 1 20 10 10 SER N N 117.588 0.020 1 21 11 11 THR H H 8.578 0.002 1 22 11 11 THR N N 115.471 0.020 1 23 12 12 GLY H H 8.657 0.002 1 24 12 12 GLY N N 110.729 0.020 1 25 13 13 GLY H H 8.527 0.002 1 26 13 13 GLY N N 108.517 0.020 1 27 14 14 LYS H H 8.409 0.002 1 28 14 14 LYS N N 120.457 0.020 1 29 15 15 ALA H H 8.638 0.002 1 30 15 15 ALA N N 126.956 0.020 1 31 17 17 ARG H H 8.714 0.002 1 32 17 17 ARG N N 121.782 0.020 1 33 18 18 LYS H H 8.682 0.002 1 34 18 18 LYS N N 123.308 0.020 1 35 19 19 GLN H H 8.703 0.002 1 36 19 19 GLN N N 122.306 0.020 1 37 20 20 LEU H H 8.599 0.002 1 38 20 20 LEU N N 124.243 0.020 1 39 21 21 ALA H H 8.612 0.002 1 40 21 21 ALA N N 125.104 0.020 1 41 22 22 THR H H 8.351 0.002 1 42 22 22 THR N N 114.173 0.020 1 43 23 23 LYS H H 8.580 0.002 1 44 23 23 LYS N N 123.959 0.020 1 45 24 24 ALA H H 8.548 0.002 1 46 24 24 ALA N N 125.370 0.020 1 47 25 25 ALA H H 8.499 0.002 1 48 25 25 ALA N N 123.534 0.020 1 49 26 26 ARG H H 8.540 0.002 1 50 26 26 ARG N N 120.767 0.020 1 51 27 27 LYS H H 8.682 0.002 1 52 27 27 LYS N N 123.308 0.020 1 53 28 28 SER H H 8.582 0.002 1 54 28 28 SER N N 117.550 0.020 1 55 29 29 ALA H H 8.596 0.002 1 56 29 29 ALA N N 126.926 0.020 1 57 31 31 ALA H H 8.764 0.002 1 58 31 31 ALA N N 124.681 0.020 1 59 32 32 THR H H 8.420 0.002 1 60 32 32 THR N N 113.031 0.020 1 61 33 33 GLY H H 8.657 0.002 1 62 33 33 GLY N N 110.729 0.020 1 63 34 34 GLY H H 8.491 0.002 1 64 34 34 GLY N N 108.476 0.020 1 65 35 35 VAL H H 8.278 0.002 1 66 35 35 VAL N N 119.471 0.020 1 67 36 36 LYS H H 8.696 0.002 1 68 36 36 LYS N N 126.158 0.020 1 69 37 37 LYS H H 8.678 0.002 1 70 37 37 LYS N N 124.589 0.020 1 71 39 39 HIS H H 8.644 0.002 1 72 39 39 HIS N N 120.469 0.020 1 73 40 40 ARG H H 8.500 0.002 1 74 40 40 ARG N N 123.080 0.020 1 75 41 41 TYR H H 8.611 0.002 1 76 41 41 TYR N N 122.231 0.020 1 77 42 42 ARG H H 8.413 0.002 1 78 42 42 ARG N N 125.604 0.020 1 79 44 44 GLY H H 8.774 0.002 1 80 44 44 GLY N N 109.204 0.020 1 81 45 45 THR H H 8.164 0.002 1 82 45 45 THR N N 113.642 0.020 1 83 46 46 VAL H H 8.426 0.002 1 84 46 46 VAL N N 122.977 0.020 1 85 47 47 ALA H H 8.583 0.002 1 86 47 47 ALA N N 127.396 0.020 1 87 48 48 LEU H H 8.405 0.002 1 88 48 48 LEU N N 121.381 0.020 1 89 49 49 ARG H H 8.449 0.002 1 90 49 49 ARG N N 121.213 0.020 1 91 50 50 GLU H H 8.501 0.002 1 92 50 50 GLU N N 121.779 0.020 1 93 51 51 ILE H H 8.387 0.002 1 94 51 51 ILE N N 122.748 0.020 1 95 52 52 ARG H H 8.567 0.002 1 96 52 52 ARG N N 124.828 0.020 1 97 53 53 ARG H H 8.490 0.002 1 98 53 53 ARG N N 122.219 0.020 1 99 54 54 TYR H H 8.459 0.002 1 100 54 54 TYR N N 120.840 0.020 1 101 55 55 GLN H H 8.361 0.002 1 102 55 55 GLN N N 122.412 0.020 1 103 56 56 LYS H H 8.600 0.002 1 104 56 56 LYS N N 123.328 0.020 1 105 57 57 SER H H 8.714 0.002 1 106 57 57 SER N N 117.608 0.020 1 107 58 58 THR H H 8.379 0.002 1 108 58 58 THR N N 115.100 0.020 1 109 59 59 GLU H H 8.144 0.002 1 110 59 59 GLU N N 127.278 0.020 1 stop_ save_