BMRB Entry 19418

Name: Backbone chemical shifts of the PICK1 PDZ domain with the GluA2 C-terminal
Published: 2019-12-06

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19418

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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:

Backbone chemical shifts of the PICK1 PDZ domain with the GluA2 C-terminal

Deposition date:

2013-08-09

Original release date:

2019-12-06

Authors:

Erlendsson, Simon; Teilum, Kaare

Citation:

Citation: Erlendsson, Simon; Rathje, Mette; Heidarsson, Petur; Poulsen, Flemming; Madsen, Kenneth; Teilum, Kaare; Gether, Ulrik. "Protein interacting with C-kinase 1 (PICK1) binding promiscuity relies on unconventional PSD-95/discs-large/ZO-1 homology (PDZ) binding modes for nonclass II PDZ ligand" J. Biol. Chem. 289, 25327-25340 (2014).
PubMed: 25023278

Assembly members:

Assembly members:
PICK1_PDZ_gluA2, polymer, 116 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Norway Rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX 4T2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PICK1_PDZ_gluA2: GSPGIPTVPGKVTLQKDAQN LIGISIGGGAQYCPCLYIVQ VFDNTPAALDGTVAAGDEIT GVNGRSIKGKTKVEVAKMIQ EVKGEVTIHYNKLQADPKQL EVLFQGPVYGIESVKI

Data sets:

assigned_chemical_shifts
- Backbone_Chemical_Shifts

Data type	Count
13C chemical shifts	220
15N chemical shifts	100
1H chemical shifts	100

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PICK1 PDZ gluA2 C terminal	1

Entities:

Entity 1, PICK1 PDZ gluA2 C terminal 116 residues - Formula weight is not available

1

GLY

SER

PRO

GLY

ILE

PRO

THR

VAL

PRO

GLY

2

LYS

VAL

THR

LEU

GLN

LYS

ASP

ALA

GLN

ASN

3

LEU

ILE

GLY

ILE

SER

ILE

GLY

ALA

4

GLN

TYR

CYS

PRO

CYS

LEU

TYR

ILE

VAL

GLN

5

VAL

PHE

ASP

ASN

THR

PRO

ALA

LEU

ASP

6

GLY

THR

VAL

ALA

GLY

ASP

GLU

ILE

THR

7

GLY

VAL

ASN

GLY

ARG

SER

ILE

LYS

GLY

LYS

8

THR

LYS

VAL

GLU

VAL

ALA

LYS

MET

ILE

GLN

9

GLU

VAL

LYS

GLY

GLU

VAL

THR

ILE

HIS

TYR

10

ASN

LYS

LEU

GLN

ALA

ASP

PRO

LYS

GLN

LEU

11

GLU

VAL

LEU

PHE

GLN

GLY

PRO

VAL

TYR

GLY

12

ILE

GLU

SER

VAL

LYS

ILE

Samples:

sample_1: PICK1 PDZ gluA2, [U-99% 13C; U-99% 15N], 750 uM; DSS 0.25 mM; sodium chloride 125 mM; TRIS 50 mM; Triton X 100 0,01%; H2O 90%; D2O 10%

gluA2_NMR: pH: 7.4; pressure: ambient atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	gluA2_NMR
3D CBCA(CO)NH	sample_1	isotropic	gluA2_NMR
3D HNCO	sample_1	isotropic	gluA2_NMR
3D HNCA	sample_1	isotropic	gluA2_NMR
3D HNCACB	sample_1	isotropic	gluA2_NMR
3D HN(CO)CA	sample_1	isotropic	gluA2_NMR
2D 1H-13C HSQC	sample_1	isotropic	gluA2_NMR

Software:

VNMRJ, Varian - collection

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

CCPN_analysis, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Varian Unity 800 MHz
Varian Unity 750 MHz

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