BMRB Entry 11202

Name: Solution structure of the PDZ domain of Spinophilin/NeurabinII protein
Published: 2011-07-21

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PDB ID: 1wf8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11202
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of the PDZ domain of Spinophilin/NeurabinII protein

Deposition date:

2010-07-22

Original release date:

2011-07-21

Authors:

Qin, X.; Hayashi, F.; Yokoyama, S.

Citation:

Citation: Qin, X.; Hayashi, F.; Yokoyama, S.. "Solution structure of the PDZ domain of Spinophilin/NeurabinII protein" .

Assembly members:

Assembly members:
PDZ domain, polymer, 107 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: cell free synthesis Host organism: E. coli - cell free Vector: P021030-40

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PDZ domain: GSSGSSGLELFPVELEKDED GLGISIIGMGVGADAGLEKL GIFVKTVTEGGAAQRDGRIQ VNDQIVEVDGISLVGVTQNF AATVLRNTKGNVRFVIGREK PSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	433
15N chemical shifts	113
1H chemical shifts	711

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PDZ domain	1

Entities:

Entity 1, PDZ domain 107 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

LEU

GLU

LEU

2

PHE

PRO

VAL

GLU

LEU

GLU

LYS

ASP

GLU

ASP

3

GLY

LEU

GLY

ILE

SER

ILE

GLY

MET

GLY

4

VAL

GLY

ALA

ASP

ALA

GLY

LEU

GLU

LYS

LEU

5

GLY

ILE

PHE

VAL

LYS

THR

VAL

THR

GLU

GLY

6

GLY

ALA

GLN

ARG

ASP

GLY

ARG

ILE

GLN

7

VAL

ASN

ASP

GLN

ILE

VAL

GLU

VAL

ASP

GLY

8

ILE

SER

LEU

VAL

GLY

VAL

THR

GLN

ASN

PHE

9

ALA

THR

VAL

LEU

ARG

ASN

THR

LYS

GLY

10

ASN

VAL

ARG

PHE

VAL

ILE

GLY

ARG

GLU

LYS

11

PRO

SER

GLY

PRO

SER

GLY

Samples:

sample_1: PDZ domain, [U-13C; U-15N], 1.05 mM; PiNa 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; H2O 90%; D2O 10%

condition_1: ionic strength: 120 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 13C-separated NOESY	sample_1	isotropic	condition_1
3D 15N-separated NOESY	sample_1	isotropic	condition_1

Software:

VNMR v6.1C, Varian - collection

NMRPipe v20020425, Delaglio.F. - processing

NMRView v5.0.4, Johnson, B.A. - data analysis

Kujira v0.854, Kobayashi, N. - data analysis

CYANA v1.0.7, Guntert, P. - refinement, structure solution

NMR spectrometers:

Varian INOVA 800 MHz

PDB	1WF8 2FN5 3HVQ
DBJ	BAA86536 BAC77245 BAE22449 BAE23620
GB	AAC53454 AAH53748 AAI18112 AAI30450 AAI44110
REF	NP_001069621 NP_001159632 NP_001159633 NP_001159634 NP_001159635
SP	O35867 Q9ULJ8
TPG	DAA30807
AlphaFold	Q9ULJ8 O35867