BMRB Entry 18920

Name: Solution structure of Entamoeba histolytica HP1 chromodomain
Published: 2014-05-12

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PDB ID: 2m2l
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18920
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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:

Solution structure of Entamoeba histolytica HP1 chromodomain

Deposition date:

2012-12-28

Original release date:

2014-05-12

Authors:

Wiggins, Kimberly; Ren, Xiaobai; Khorasanizadeh, Sepideh

Citation:

Citation: Ali, Ibne; Wiggins, Kimberly; Ren, Xiaobai; Sherman, Nick; Petri, William; Khorasanizadeh, Sepideh. "Characterization of putative readers of epigenetic methyl-marks from Entamoeba histolytica" .

Assembly members:

Assembly members:
entity, polymer, 67 residues, 8223.235 Da.

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET46

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MHHHHHHEVPQTFEVERIVR KKIVHGNTSYLVKWKNYSSK DNTWETEDDIRTKYGDLVDD FEKNQKK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	234
15N chemical shifts	65
1H chemical shifts	340

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Entamoeba histolytica HP1 chromodomain	1

Entities:

Entity 1, Entamoeba histolytica HP1 chromodomain 67 residues - 8223.235 Da.

1

MET

HIS

GLU

VAL

PRO

2

GLN

THR

PHE

GLU

VAL

GLU

ARG

ILE

VAL

ARG

3

LYS

ILE

VAL

HIS

GLY

ASN

THR

SER

TYR

4

LEU

VAL

LYS

TRP

LYS

ASN

TYR

SER

LYS

5

ASP

ASN

THR

TRP

GLU

THR

GLU

ASP

ILE

6

ARG

THR

LYS

TYR

GLY

ASP

LEU

VAL

ASP

7

PHE

GLU

LYS

ASN

GLN

LYS

Samples:

sample_1: entity, [U-15N], mM; sodium phosphate 50 mM; sodium chloride 25 mM; DTT 1 mM; D2O, [U-100% 2H], 5%

sample_2: entity, [U-13C; U-15N], mM; sodium phosphate 50 mM; sodium chloride 25 mM; DTT 1 mM; D2O, [U-100% 2H], 5%

sample_conditions_1: ionic strength: 75 mM; pH: 6.0; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1

Software:

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

TOPSPIN, Bruker Biospin - collection

CYANA, Guntert, Mumenthaler and Wuthrich - data analysis, refinement, structure solution

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

Bruker Avance 600 MHz

PDB	2M2L
GB	EAL47287 EMD45296 EMH75139 EMS14461 ENY59971
REF	XP_652673