BMRB Entry 18516

Name: 1H, 13C and 15N backbone NMR reassignment of the third PDZ domain of PSD95 protein
Published: 2014-04-22

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18516

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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:

1H, 13C and 15N backbone NMR reassignment of the third PDZ domain of PSD95 protein

Deposition date:

2012-06-12

Original release date:

2014-04-22

Authors:

Candel, Adela M.; Murciano-Calles, Javier; Martinez, Jose C.

Citation:

Citation: Murciano-Calles, Javier; Corbi-Verge, Carles; Candel, Adela; Luque, Irene; Martinez, Jose. "Post-translational modifications modulate ligand recognition by the third PDZ domain of the MAGUK protein PSD-95." PLoS ONE 9, e90030-e90030 (2014).
PubMed: 24587199

Assembly members:

Assembly members:
PDZ3, polymer, 103 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Humans Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pBAT4

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PDZ3: GLGEEDIPREPRRIVIHRGS TGLGFNIVGGEDGEGIFISF ILAGGPADLSGELRKGDQIL SVNGVDLRNASHEQAAIALK NAGQTVTIIAQYKPEEYSRF EAK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	284
15N chemical shifts	101
1H chemical shifts	109

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PDZ3	1

Entities:

Entity 1, PDZ3 103 residues - Formula weight is not available

1

GLY

LEU

GLY

GLU

ASP

ILE

PRO

ARG

GLU

2

PRO

ARG

ILE

VAL

ILE

HIS

ARG

GLY

SER

3

THR

GLY

LEU

GLY

PHE

ASN

ILE

VAL

GLY

4

GLU

ASP

GLY

GLU

GLY

ILE

PHE

ILE

SER

PHE

5

ILE

LEU

ALA

GLY

PRO

ALA

ASP

LEU

SER

6

GLY

GLU

LEU

ARG

LYS

GLY

ASP

GLN

ILE

LEU

7

SER

VAL

ASN

GLY

VAL

ASP

LEU

ARG

ASN

ALA

8

SER

HIS

GLU

GLN

ALA

ILE

ALA

LEU

LYS

9

ASN

ALA

GLY

GLN

THR

VAL

THR

ILE

ALA

10

GLN

TYR

LYS

PRO

GLU

TYR

SER

ARG

PHE

11

GLU

ALA

LYS

Samples:

sample_1: PDZ3, [U-95% 13C; U-95% 15N], 1 mM; H2O, [U-95% 13C; U-95% 15N], 90%; D2O, [U-95% 13C; U-95% 15N], 10%

sample_conditions_1: ionic strength: 50 mM; pH: 7.5; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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 HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Varian INOVA 600 MHz

PDB	1BE9 1BFE 1TP3 1TP5 1TQ3 3I4W 3K82
REF	XP_005669278 XP_008122573 XP_012511057 XP_012868584