BMRB Entry 50805

Name: Histone H3 tail within tetrasome
Published: 2021-05-27

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50805

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Histone H3 tail within tetrasome

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

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

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	68
15N chemical shifts	33
1H chemical shifts	33

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	H3, 1	1
2	H3, 2	1
3	H4, 1	2
4	H4, 2	2
5	DNA_1	3
6	DNA_2	4

Entities:

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

1

ALA

ARG

THR

LYS

GLN

THR

ALA

ARG

LYS

SER

2

THR

GLY

LYS

ALA

PRO

ARG

LYS

GLN

LEU

3

ALA

THR

LYS

ALA

ARG

LYS

SER

ALA

PRO

4

ALA

THR

GLY

VAL

LYS

PRO

HIS

ARG

5

TYR

ARG

PRO

GLY

THR

VAL

ALA

LEU

ARG

GLU

6

ILE

ARG

TYR

GLN

LYS

SER

THR

GLU

LEU

7

LEU

ILE

ARG

LYS

LEU

PRO

PHE

GLN

ARG

LEU

8

VAL

ARG

GLU

ILE

ALA

GLN

ASP

PHE

LYS

THR

9

ASP

LEU

ARG

PHE

GLN

SER

ALA

VAL

MET

10

ALA

LEU

GLN

GLU

ALA

SER

GLU

ALA

TYR

LEU

11

VAL

GLY

LEU

PHE

GLU

ASP

THR

ASN

LEU

ALA

12

ALA

ILE

HIS

ALA

LYS

ARG

VAL

THR

ILE

MET

13

PRO

LYS

ASP

ILE

GLN

LEU

ALA

ARG

ILE

14

ARG

GLY

GLU

ARG

ALA

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

1

SER

GLY

ARG

GLY

LYS

GLY

LYS

GLY

LEU

2

GLY

LYS

GLY

ALA

LYS

ARG

HIS

ARG

LYS

3

VAL

LEU

ARG

ASP

ASN

ILE

GLN

GLY

ILE

THR

4

LYS

PRO

ALA

ILE

ARG

LEU

ALA

ARG

5

GLY

VAL

LYS

ARG

ILE

SER

GLY

LEU

ILE

6

TYR

GLU

THR

ARG

GLY

VAL

LEU

LYS

VAL

7

PHE

LEU

GLU

ASN

VAL

ILE

ARG

ASP

ALA

VAL

8

THR

TYR

THR

GLU

HIS

ALA

LYS

ARG

LYS

THR

9

VAL

THR

ALA

MET

ASP

VAL

TYR

ALA

LEU

10

LYS

ARG

GLN

GLY

ARG

THR

LEU

TYR

GLY

PHE

11

GLY

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

1

DA

DT

DC

DG

DA

DG

DA

DT

DC

2

DC

DG

DT

DG

DC

DG

DA

3

DG

DC

DG

DC

DT

DC

DA

4

DT

DG

DT

DC

DG

DT

DA

DG

5

DA

DC

DA

DG

DC

DT

DC

DT

DA

DG

6

DC

DA

DC

DG

DC

DT

DA

7

DA

DC

DG

DC

DA

DC

DG

DT

DA

DC

8

DG

DC

DG

DC

DT

DG

DT

DC

9

DC

DG

DC

DG

DT

DA

10

DA

DC

DG

DC

DA

DG

11

DG

DA

DT

DA

DC

DT

DC

12

DC

DT

DA

DG

DT

DC

DT

DC

DA

13

DG

DC

DA

DC

DG

DT

DG

DT

DC

14

DA

DG

DA

DT

DA

DT

DA

DT

DA

DC

15

DA

DT

DC

DG

DA

DT

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

1

DA

DT

DC

DG

DA

DT

DG

DT

DA

2

DT

DA

DT

DA

DT

DC

DT

DG

DA

DC

3

DA

DC

DG

DT

DG

DC

DT

DG

4

DA

DG

DA

DC

DT

DA

DG

DA

5

DG

DT

DA

DT

DC

DT

6

DT

DG

DC

DG

DT

DA

7

DA

DC

DG

DC

DG

8

DA

DC

DA

DG

DC

DG

DC

DG

DT

DA

9

DC

DG

DT

DG

DC

DG

DT

DA

10

DA

DG

DC

DG

DT

DG

DC

DT

DA

11

DG

DA

DG

DC

DT

DG

DT

DC

DT

DA

12

DC

DG

DA

DC

DA

DT

DG

13

DA

DG

DC

DG

DC

DT

DC

DG

14

DG

DC

DA

DC

DG

DA

DT

15

DT

DC

DT

DC

DG

DA

DT

Samples:

sample_1: entity_1, [U-13C; U-15N], 130 uM; entity_2 130 uM; entity_3 130 uM; entity_4 130 uM; MOPS 20 mM; NaOH 7 mM; EDTA 1 mM; DTT 1 mM

sample_conditions_1: pH: 7; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_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