BMRB Entry 18438

Name: Solution NMR Structure of the Globular Domain of Human Histone H1x, Northeast Structural Genomics Consortium (NESG) Target HR7057A
Published: 2012-06-06

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PDB ID: 2lso
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18438
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR Structure of the Globular Domain of Human Histone H1x, Northeast Structural Genomics Consortium (NESG) Target HR7057A

Deposition date:

2012-05-03

Original release date:

2012-06-06

Authors:

Eletsky, Alexander; Lee, Hsiau-Wei; Lee, Dan; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Prestegard, James; Szyperski, Thomas

Citation:

Citation: Eletsky, Alexander; Lee, Hsiau-Wei; Lee, Dan; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Prestegard, James; Szyperski, Thomas. "Solution NMR Structure of the Globular Domain of Human Histone H1x, Northeast Structural Genomics Consortium (NESG) Target HR7057A" To be published ., .-..

Assembly members:

Assembly members:
HR7057A, polymer, 83 residues, 9400.875 Da.

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: pET15Avi6HT_NESG

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HR7057A: SHMQPGKYSQLVVETIRRLG ERNGSSLAKIYTEAKKVPWF DQQNGRTYLKYSIKALVQND TLLQVKGTGANGSFKLNRKK LEG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	372
15N chemical shifts	88
1H chemical shifts	603

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HR7057A	1

Entities:

Entity 1, HR7057A 83 residues - 9400.875 Da.

Residues 4-83 correspond to the 44-123 fragment of the native H1x. Residues 1-3 represent the remainder of the affinity purification tag after TEV cleavage

1

SER

HIS

MET

GLN

PRO

GLY

LYS

TYR

SER

GLN

2

LEU

VAL

GLU

THR

ILE

ARG

LEU

GLY

3

GLU

ARG

ASN

GLY

SER

LEU

ALA

LYS

ILE

4

TYR

THR

GLU

ALA

LYS

VAL

PRO

TRP

PHE

5

ASP

GLN

ASN

GLY

ARG

THR

TYR

LEU

LYS

6

TYR

SER

ILE

LYS

ALA

LEU

VAL

GLN

ASN

ASP

7

THR

LEU

GLN

VAL

LYS

GLY

THR

GLY

ALA

8

ASN

GLY

SER

PHE

LYS

LEU

ASN

ARG

LYS

9

LEU

GLU

GLY

Samples:

HR7057A_NC: HR7057A.011, [U-100% 13C; U-100% 15N], 0.9 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DSS 50 uM; sodium azide 0.02%; H2O 90%; D2O 10%

HR7057A_NC5: HR7057A.011, [5% 13C; U-100% 15N], 0.6 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DSS 50 uM; sodium azide 0.02%; H2O 90%; D2O 10%

HR7057A_NC5_PEG: HR7057A.011, [5% 13C; U-100% 15N], 0.3 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DSS 50 uM; sodium azide 0.02%; C12E5 PEG 4%; hexanol 4%; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	HR7057A_NC	isotropic	sample_conditions_1
2D 1H-13C CT-HSQC aliphatic	HR7057A_NC	isotropic	sample_conditions_1
3D HNCO	HR7057A_NC	isotropic	sample_conditions_1
3D CBCA(CO)NH	HR7057A_NC	isotropic	sample_conditions_1
3D HNCACB	HR7057A_NC	isotropic	sample_conditions_1
3D (H)CCH-TOCSY aliphatic	HR7057A_NC	isotropic	sample_conditions_1
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY	HR7057A_NC	isotropic	sample_conditions_1
2D 1H-13C CT-HSQC aromatic	HR7057A_NC	isotropic	sample_conditions_1
3D (H)C(CCO)NH-TOCSY	HR7057A_NC	isotropic	sample_conditions_1
3D H(CCCO)NH-TOCSY	HR7057A_NC	isotropic	sample_conditions_1
3D HBHA(CO)NH	HR7057A_NC	isotropic	sample_conditions_1
3D HN(CA)CO	HR7057A_NC	isotropic	sample_conditions_1
3D HCCH-COSY aliphatic	HR7057A_NC	isotropic	sample_conditions_1
3D HCCH-COSY aromatic	HR7057A_NC	isotropic	sample_conditions_1
2D 1H-13C CT-HSQC methyl	HR7057A_NC5	isotropic	sample_conditions_1
2D J-resolved 1H-15N HSQC	HR7057A_NC5	isotropic	sample_conditions_1
2D J-resolved 1H-15N HSQC	HR7057A_NC5_PEG	anisotropic	sample_conditions_1
1D 15N T1	HR7057A_NC	isotropic	sample_conditions_1
1D 15N T2	HR7057A_NC	isotropic	sample_conditions_1

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution, geometry optimization

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement, geometry optimization, structure solution

ASDP v1.0, Huang, Tejero, Powers and Montelione - data analysis, refinement

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

XEASY v1.3.13, Bartels et al. - data analysis

VNMRJ v2.2D, Varian - collection

PINE v1.0, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

SPARKY, Goddard - data analysis

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

PSVS v1.4, Bhattacharya, Montelione - structure validation

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Varian INOVA 750 MHz
Varian INOVA 600 MHz
Varian INOVA 600 MHz

PDB	2LSO
DBJ	BAA11018 BAE90932
GB	AAH00426 AAH10435 EAW79264 EFB22594 ELK15204
REF	NP_001253012 NP_001273421 NP_006017 XP_002697189 XP_002758712
SP	Q92522
TPG	DAA16748
AlphaFold	Q92522