BMRB Entry 52976

Name: phosphorylated Heterochromatin protein 1 alpha solution-state NMR assignment
Published: 2025-12-11

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52976

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

phosphorylated Heterochromatin protein 1 alpha solution-state NMR assignment

Deposition date:

2025-03-21

Original release date:

2025-12-11

Authors:

Zhai, Ziwei; Shi, Xiangyan

Citation:

Citation: Zhai, Ziwei; Soman, Aghil; Kuang, Jinglei; Guo, Jiayi; Chen, Yinglu; Zhao, Lei; Prasanna, Chinmayi; Putri, Dhira Anindya; Glukhov, Grigory; Chng, Choon-Peng; Huang, Changjin; Nordenskiold, Lars; Xue, Kai; Shi, Xiangyan. "Revealing site-specific molecular features mediating contacts of heterochromatin protein 1 Alpha (HP1Alpha) and the interactions with chromatin and DNA in LLPS environments" Commun. Biol. 8, 1758-1758 (2025).
PubMed: 41372631

Assembly members:

Assembly members:
entity_1, polymer, 191 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: pNIC28-Bsa4

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGKKTKRTADSSSSEDEEEY VVEKVLDRRVVKGQVEYLLK WKGFSEEHNTWEPEKNLDCP ELISEFMKKYKKMKEGENNK PREKSESNKRKSNFSNSADD IKSKKKREQSNDIARGFERG LEPEKIIGATDSCGDLMFLM KWKDTDEADLVLAKEANVKC PQIVIAFYEERLTWHAYPED AENKEKETAKS

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	237
15N chemical shifts	113
1H chemical shifts	113

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Phosphorylated Heterochromatin Protein 1 alpha	1

Entities:

Entity 1, Phosphorylated Heterochromatin Protein 1 alpha 191 residues - Formula weight is not available

1

MET

GLY

LYS

THR

LYS

ARG

THR

ALA

ASP

2

SER

GLU

ASP

GLU

TYR

3

VAL

GLU

LYS

VAL

LEU

ASP

ARG

VAL

4

VAL

LYS

GLY

GLN

VAL

GLU

TYR

LEU

LYS

5

TRP

LYS

GLY

PHE

SER

GLU

HIS

ASN

THR

6

TRP

GLU

PRO

GLU

LYS

ASN

LEU

ASP

CYS

PRO

7

GLU

LEU

ILE

SER

GLU

PHE

MET

LYS

TYR

8

LYS

MET

LYS

GLU

GLY

GLU

ASN

LYS

9

PRO

ARG

GLU

LYS

SER

GLU

SER

ASN

LYS

ARG

10

LYS

SER

ASN

PHE

SER

ASN

SER

ALA

ASP

11

ILE

LYS

SER

LYS

ARG

GLU

GLN

SER

12

ASN

ASP

ILE

ALA

ARG

GLY

PHE

GLU

ARG

GLY

13

LEU

GLU

PRO

GLU

LYS

ILE

GLY

ALA

THR

14

ASP

SER

CYS

GLY

ASP

LEU

MET

PHE

LEU

MET

15

LYS

TRP

LYS

ASP

THR

ASP

GLU

ALA

ASP

LEU

16

VAL

LEU

ALA

LYS

GLU

ALA

ASN

VAL

LYS

CYS

17

PRO

GLN

ILE

VAL

ILE

ALA

PHE

TYR

GLU

18

ARG

LEU

THR

TRP

HIS

ALA

TYR

PRO

GLU

ASP

19

ALA

GLU

ASN

LYS

GLU

LYS

GLU

THR

ALA

LYS

20

SER

Samples:

sample_1: phosphorylated Heterochromatin protein 1 alpha, [U-100% 13C; U-100% 15N], 0.45 mM; HEPES 20 mM; KCl 150 mM; DTT 10 mM; NaN3 0.04%

sample_conditions_1: ionic strength: 0.15 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR - chemical shift assignment

TOPSPIN - collection

NMR spectrometers:

Bruker AVANCE III 800 MHz

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