BMRB Entry 31056

Name: Ubx Homeodomain NMR solution structure
Published: 2023-04-13

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PDB ID: 8f36
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31056
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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:

Ubx Homeodomain NMR solution structure

Deposition date:

2022-11-09

Original release date:

2023-04-13

Authors:

Beasley, S.; Loss, J.; Mekkaoui, F.; Advocate, M.; Spratt, D.

Citation:

Citation: Beasley, S.; Loss, J.; Mekkaoui, F.; Advocate, M.; Spratt, D.. "Ubx Homeodomain NMR solution structure" .

Assembly members:

Assembly members:
entity_1, polymer, 62 residues, 7911.260 Da.

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 Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GTRRRGRQTYTRYQTLELEK EFHTNHYLTRRRRIEMAHAL CLTERQIKIWFQNRRMKLKK EI

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	311
15N chemical shifts	68
1H chemical shifts	483

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 62 residues - 7911.260 Da.

1

GLY

THR

ARG

GLY

ARG

GLN

THR

TYR

2

THR

ARG

TYR

GLN

THR

LEU

GLU

LEU

GLU

LYS

3

GLU

PHE

HIS

THR

ASN

HIS

TYR

LEU

THR

ARG

4

ARG

ILE

GLU

MET

ALA

HIS

ALA

LEU

5

CYS

LEU

THR

GLU

ARG

GLN

ILE

LYS

ILE

TRP

6

PHE

GLN

ASN

ARG

MET

LYS

LEU

LYS

7

GLU

ILE

Samples:

sample_1: UbxHD, [U-100% 13C; U-100% 15N], 0.76 mM; MES 20 mM; NaCl 100 mM; TCEP 2 mM; MgCl2 5 mM

sample_conditions_1: ionic strength: 128 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CYANA, Guntert - refinement, structure calculation

NMRViewJ v9.1.0-b63, One Moon Scientific - chemical shift assignment, peak picking

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

NMR spectrometers:

Varian INOVA AVANCE 600 MHz

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