BMRB Entry 7386

Name: Engrailed homeodomain helix-turn-helix motif
Published: 2007-10-29

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PDB ID: 2p81
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR7386
MolProbity Validation Chart

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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:

Engrailed homeodomain helix-turn-helix motif

Deposition date:

2007-04-20

Original release date:

2007-10-29

Authors:

Religa, T.

Citation:

Citation: Religa, T.; Johnson, C.; Vu, D.; Brewer, S.; Dyer, R.; Fersht, A.. "The helix-turn-helix motif as an ultra-fast independently folding domain: The pathway of folding of Engrailed Homeodomain" Proc. Natl. Acad. Sci. U. S. A. 104, 9272-9277 (2007).
PubMed: 17517666

Assembly members:

Assembly members:
Segmentation_polarity_homeobox_protein_engrailed, polymer, 44 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Segmentation_polarity_homeobox_protein_engrailed: AKREFNENRYLTERRRQQLS SELGLNEAQIKIWFQNKRAK IKKS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
coupling_constants
- coupling_constant_list_1
RDCs
- RDC_list_1

Data type	Count
13C chemical shifts	164
15N chemical shifts	45
1H chemical shifts	337
coupling constants	86
residual dipolar couplings	43

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	homeobox	1

Entities:

Entity 1, homeobox 44 residues - Formula weight is not available

1

ALA

LYS

ARG

GLU

PHE

ASN

GLU

ASN

ARG

TYR

2

LEU

THR

GLU

ARG

GLN

LEU

SER

3

SER

GLU

LEU

GLY

LEU

ASN

GLU

ALA

GLN

ILE

4

LYS

ILE

TRP

PHE

GLN

ASN

LYS

ARG

ALA

LYS

5

ILE

LYS

SER

Samples:

sample: homeobox 500 uM; d-acetate 50 mM; NaCl 100 mM; H2O 93%; D2O 7%

sample_conditions_1: ionic strength: 145 mM; pH: 5.7; pressure: 1 atm; temperature: 278 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample	isotropic	sample_conditions_1
2D TOCSY	sample	isotropic	sample_conditions_1

Software:

NMRPipe vLast Update July 2, 2006, Delaglio - processing

SPARKY v3.106, Goddart - data analysis

CNS v1.1, Brunger - structure solution

CNS v1.1, Brunger - refinement

NMR spectrometers:

Bruker DRX 600 MHz
Bruker DRX 500 MHz

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