BMRB Entry 17452

Name: Chemical Shifts of the Pitx2 Homeodomain in complex with a TAAGCT non-consensus DNA site
Published: 2012-08-14

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17452

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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:

Chemical Shifts of the Pitx2 Homeodomain in complex with a TAAGCT non-consensus DNA site

Deposition date:

2011-02-09

Original release date:

2012-08-14

Authors:

Doerdelmann, Thomas; Kojetin, Douglas; Baird-Titus, Jamie; Rance, Mark

Citation:

Citation: Doerdelmann, Thomas; Kojetin, Douglas; Baird-Titus, Jamie; Rance, Mark. "(1)H, (13)C and (15)N chemical shift assignments for the human Pitx2 homeodomain in complex with a 22-base hairpin DNA" Biomol. NMR Assignments 6, 79-81 (2012).
PubMed: 21818549

Assembly members:

Assembly members:
Pitx2_HD, polymer, 68 residues, Formula weight is not available
TAAGCT_DNA, polymer, 6 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: pet28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Pitx2_HD: GSQRRQRTHFTSQQLQELEA TFQRNRYPDMSTREEIAVWT NLTEARVRVWFKNRRAKWRK REEFIVTD
TAAGCT_DNA: TAAGCT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	237
15N chemical shifts	89
1H chemical shifts	460

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Pitx2HD	1
2	TAAGCT DNA	2

Entities:

Entity 1, Pitx2HD 68 residues - Formula weight is not available

First two amino acids are cloning artifacts; EFIVTD C-terminal tail added for stability.

1

GLY

SER

GLN

ARG

GLN

ARG

THR

HIS

PHE

2

THR

SER

GLN

LEU

GLN

GLU

LEU

GLU

ALA

3

THR

PHE

GLN

ARG

ASN

ARG

TYR

PRO

ASP

MET

4

SER

THR

ARG

GLU

ILE

ALA

VAL

TRP

THR

5

ASN

LEU

THR

GLU

ALA

ARG

VAL

ARG

VAL

TRP

6

PHE

LYS

ASN

ARG

ALA

LYS

TRP

ARG

LYS

7

ARG

GLU

PHE

ILE

VAL

THR

ASP

Entity 2, TAAGCT DNA 6 residues - Formula weight is not available

1

DT

DA

DG

DC

DT

Samples:

sample_1: Pitx2HD, [U-98% 13C; U-98% 15N], 1.5 mM; TAAGCT DNA 1.5 mM; sodium phosphate 10 mM; EDTA 1 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.01 M; pH: 7.0; pressure: 1 atm; temperature: 295 K

Experiments:

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

Software:

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

Varian INOVA 800 MHz
Varian INOVA 600 MHz
Varian INOVA 500 MHz
Varian INOVA 400 MHz

BMRB	17145 17147 18015
PDB	2L7F 2L7M 2LKX
DBJ	BAA75247 BAA75248 BAB69053 BAD12775 BAF84280
EMBL	CAA06696 CAA06697 CAA09455 CAB52283 CAB52284
GB	AAB38505 AAB38864 AAB87380 AAC16257 AAC24502
REF	NP_000316 NP_001007500 NP_001017227 NP_001035436 NP_001035967
SP	O35160 O75364 O93385 P81062 P97474
TPG	DAA14908 DAA28868
AlphaFold	O35160 O75364 O93385 P81062 P97474