BMRB Entry 52248

Name: 1H and 15N Chemical Shifts of PICK1 without alpha7nAChR ICD+TMD
Published: 2024-05-02

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52248

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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 and 15N Chemical Shifts of PICK1 without alpha7nAChR ICD+TMD

Deposition date:

2023-12-20

Original release date:

2024-05-02

Authors:

Bondarenko, Vasyl; Chen, Qiang; Tang, Pei

Citation:

Citation: Bondarenko, Vasyl; Chen, Qiang; Tillman, Tommy; Xu, Yan; Tang, Pei. "Unconventional PDZ Recognition Revealed in a7 nAChR-PICK1 Complexes" ACS Chem. Neurosci. 15, 2070-2079 (2024).
PubMed: 38691676

Assembly members:

Assembly members:
entity_1, polymer, 89 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: pTBSG1-PICK104

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SMTVPGKVTLQKDAQNLIGI SIGGGAQYCPCLYIVQVFDN TPAALDGTVAAGDEITGVNG RSIKGKTKVEVAKMIQEVKG EVTIHYNKL

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
15N chemical shifts	81
1H chemical shifts	81

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PICK1	1

Entities:

Entity 1, PICK1 89 residues - Formula weight is not available

1

SER

MET

THR

VAL

PRO

GLY

LYS

VAL

THR

LEU

2

GLN

LYS

ASP

ALA

GLN

ASN

LEU

ILE

GLY

ILE

3

SER

ILE

GLY

ALA

GLN

TYR

CYS

PRO

4

CYS

LEU

TYR

ILE

VAL

GLN

VAL

PHE

ASP

ASN

5

THR

PRO

ALA

LEU

ASP

GLY

THR

VAL

ALA

6

ALA

GLY

ASP

GLU

ILE

THR

GLY

VAL

ASN

GLY

7

ARG

SER

ILE

LYS

GLY

LYS

THR

LYS

VAL

GLU

8

VAL

ALA

LYS

MET

ILE

GLN

GLU

VAL

LYS

GLY

9

GLU

VAL

THR

ILE

HIS

TYR

ASN

LYS

LEU

Samples:

sample_1: PICK1 PDZ domain for alpha7nAChR binding, [U-100% 15N], 70 ± 5 uM; TRIS 25 mM; sodium chloride 125 mM; DSS 20 uM; LDAO 1.5 mM

sample_conditions_1: ionic strength: 125 mM; pH: 7.4; pressure: 1 atm; temperature: 288 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.2 - collection

NMRPipe v10.9 - processing

NMRFAM-SPARKY v1.470 - data analysis

SPARKY v3.190 - data analysis

NMR spectrometers:

Bruker Avance 800 MHz

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