BMRB Entry 50807

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50807

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Title:
Histone H3 tail within hexasome
Deposition date:
2021-03-07
Original release date:
2021-05-27
Authors:
Morrison, Emma
Citation:

Citation: Morrison, Emma; Baweja, Lokesh; Poirier, Michael; Wereszczynski, Jeff; Musselman, Catherine. "Nucleosome composition regulates the histone H3 tail conformational ensemble and accessibility"  Nucleic Acids Res. 49, 4750-4767 (2021).
PubMed: 33856458

Assembly members:

Assembly members:
entity_1, polymer, 135 residues, Formula weight is not available
entity_2, polymer, 102 residues, Formula weight is not available
entity_3, polymer, 147 residues, Formula weight is not available
entity_4, polymer, 147 residues, Formula weight is not available
entity_5, polymer, 129 residues, Formula weight is not available
entity_6, polymer, 125 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET3a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ARTKQTARKSTGGKAPRKQL ATKAARKSAPATGGVKKPHR YRPGTVALREIRRYQKSTEL LIRKLPFQRLVREIAQDFKT DLRFQSSAVMALQEASEAYL VGLFEDTNLAAIHAKRVTIM PKDIQLARRIRGERA
entity_2: SGRGKGGKGLGKGGAKRHRK VLRDNIQGITKPAIRRLARR GGVKRISGLIYEETRGVLKV FLENVIRDAVTYTEHAKRKT VTAMDVVYALKRQGRTLYGF GG
entity_3: ATCGAGAATCCCGGTGCCGA GGCCGCTCAATTGGTCGTAG ACAGCTCTAGCACCGCTTAA ACGCACGTACGCGCTGTCCC CCGCGTTTTAACCGCCAAGG GGATTACTCCCTAGTCTCCA GGCACGTGTCAGATATATAC ATCCGAT
entity_4: ATCGGATGTATATATCTGAC ACGTGCCTGGAGACTAGGGA GTAATCCCCTTGGCGGTTAA AACGCGGGGGACAGCGCGTA CGTGCGTTTAAGCGGTGCTA GAGCTGTCTACGACCAATTG AGCGGCCTCGGCACCGGGAT TCTCGAT
entity_5: SGRGKQGGKARAKAKTRSSR AGLQFPVGRVHRLLRKGNYA ERVGAGAPVYLAAVLEYLTA EILELAGNAARDNKKTRIIP RHLQLAIRNDEELNKLLGKV TIAQGGVLPNIQAVLLPKKT ESHHKAKGK
entity_6: PEPAKSAPAPKKGSKKAVTK AQKKDGKKRKRSRKESYSVY VYKVLKQVHPDTGISSKAMG IMNSFVNDIFERIAGEASRL AHYNKRSTITSREIQTAVRL LLPGELAKHAVSEGTKAVTK YTSSK

Data sets:
Data typeCount
13C chemical shifts113
15N chemical shifts59
1H chemical shifts59

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1H3, 11
2H3, 21
3H4, 12
4H4, 22
5DNA_13
6DNA_24
7H2A, 15
8H2B, 26

Entities:

Entity 1, H3, 1 135 residues - Formula weight is not available

1   ALAARGTHRLYSGLNTHRALAARGLYSSER
2   THRGLYGLYLYSALAPROARGLYSGLNLEU
3   ALATHRLYSALAALAARGLYSSERALAPRO
4   ALATHRGLYGLYVALLYSLYSPROHISARG
5   TYRARGPROGLYTHRVALALALEUARGGLU
6   ILEARGARGTYRGLNLYSSERTHRGLULEU
7   LEUILEARGLYSLEUPROPHEGLNARGLEU
8   VALARGGLUILEALAGLNASPPHELYSTHR
9   ASPLEUARGPHEGLNSERSERALAVALMET
10   ALALEUGLNGLUALASERGLUALATYRLEU
11   VALGLYLEUPHEGLUASPTHRASNLEUALA
12   ALAILEHISALALYSARGVALTHRILEMET
13   PROLYSASPILEGLNLEUALAARGARGILE
14   ARGGLYGLUARGALA

Entity 2, H4, 1 102 residues - Formula weight is not available

1   SERGLYARGGLYLYSGLYGLYLYSGLYLEU
2   GLYLYSGLYGLYALALYSARGHISARGLYS
3   VALLEUARGASPASNILEGLNGLYILETHR
4   LYSPROALAILEARGARGLEUALAARGARG
5   GLYGLYVALLYSARGILESERGLYLEUILE
6   TYRGLUGLUTHRARGGLYVALLEULYSVAL
7   PHELEUGLUASNVALILEARGASPALAVAL
8   THRTYRTHRGLUHISALALYSARGLYSTHR
9   VALTHRALAMETASPVALVALTYRALALEU
10   LYSARGGLNGLYARGTHRLEUTYRGLYPHE
11   GLYGLY

Entity 3, DNA_1 147 residues - Formula weight is not available

1   DADTDCDGDADGDADADTDC
2   DCDCDGDGDTDGDCDCDGDA
3   DGDGDCDCDGDCDTDCDADA
4   DTDTDGDGDTDCDGDTDADG
5   DADCDADGDCDTDCDTDADG
6   DCDADCDCDGDCDTDTDADA
7   DADCDGDCDADCDGDTDADC
8   DGDCDGDCDTDGDTDCDCDC
9   DCDCDGDCDGDTDTDTDTDA
10   DADCDCDGDCDCDADADGDG
11   DGDGDADTDTDADCDTDCDC
12   DCDTDADGDTDCDTDCDCDA
13   DGDGDCDADCDGDTDGDTDC
14   DADGDADTDADTDADTDADC
15   DADTDCDCDGDADT

Entity 4, DNA_2 147 residues - Formula weight is not available

1   DADTDCDGDGDADTDGDTDA
2   DTDADTDADTDCDTDGDADC
3   DADCDGDTDGDCDCDTDGDG
4   DADGDADCDTDADGDGDGDA
5   DGDTDADADTDCDCDCDCDT
6   DTDGDGDCDGDGDTDTDADA
7   DADADCDGDCDGDGDGDGDG
8   DADCDADGDCDGDCDGDTDA
9   DCDGDTDGDCDGDTDTDTDA
10   DADGDCDGDGDTDGDCDTDA
11   DGDADGDCDTDGDTDCDTDA
12   DCDGDADCDCDADADTDTDG
13   DADGDCDGDGDCDCDTDCDG
14   DGDCDADCDCDGDGDGDADT
15   DTDCDTDCDGDADT

Entity 5, H2A, 1 129 residues - Formula weight is not available

1   SERGLYARGGLYLYSGLNGLYGLYLYSALA
2   ARGALALYSALALYSTHRARGSERSERARG
3   ALAGLYLEUGLNPHEPROVALGLYARGVAL
4   HISARGLEULEUARGLYSGLYASNTYRALA
5   GLUARGVALGLYALAGLYALAPROVALTYR
6   LEUALAALAVALLEUGLUTYRLEUTHRALA
7   GLUILELEUGLULEUALAGLYASNALAALA
8   ARGASPASNLYSLYSTHRARGILEILEPRO
9   ARGHISLEUGLNLEUALAILEARGASNASP
10   GLUGLULEUASNLYSLEULEUGLYLYSVAL
11   THRILEALAGLNGLYGLYVALLEUPROASN
12   ILEGLNALAVALLEULEUPROLYSLYSTHR
13   GLUSERHISHISLYSALALYSGLYLYS

Entity 6, H2B, 2 125 residues - Formula weight is not available

1   PROGLUPROALALYSSERALAPROALAPRO
2   LYSLYSGLYSERLYSLYSALAVALTHRLYS
3   ALAGLNLYSLYSASPGLYLYSLYSARGLYS
4   ARGSERARGLYSGLUSERTYRSERVALTYR
5   VALTYRLYSVALLEULYSGLNVALHISPRO
6   ASPTHRGLYILESERSERLYSALAMETGLY
7   ILEMETASNSERPHEVALASNASPILEPHE
8   GLUARGILEALAGLYGLUALASERARGLEU
9   ALAHISTYRASNLYSARGSERTHRILETHR
10   SERARGGLUILEGLNTHRALAVALARGLEU
11   LEULEUPROGLYGLULEUALALYSHISALA
12   VALSERGLUGLYTHRLYSALAVALTHRLYS
13   TYRTHRSERSERLYS

Samples:

sample_1: hexasome, [U-13C; U-15N], 360 uM; MOPS 20 mM; NaOH 7 mM; EDTA 1 mM; DTT 1 mM

sample_conditions_1: pH: 7; temperature: 318 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection

NMRPipe - processing

ANALYSIS v2.4 - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE NEO 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks