BMRB Entry 11200

Name: Solution structure of the PDZ domain of Pals1 protein
Published: 2011-07-21

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PDB ID: 1va8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11200
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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:

Solution structure of the PDZ domain of Pals1 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 Pals1 protein" .

Assembly members:

Assembly members:
PDZ domain, polymer, 113 residues, Formula weight is not available

Natural source:

Natural source: Common Name: house mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

Experimental source: Production method: cell free synthesis Host organism: E. coli - cell free Vector: P030203-38

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PDZ domain: GSSGSSGPITDERVYESIGH YGGETVKIVRIEKARDIPLG ATVRNEMDSVIISRIVKGGA AEKSGLLHEGDEVLEINGIE IRGKDVNEVFDLLSDMHGTL TFVLIPSSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	478
15N chemical shifts	114
1H chemical shifts	766

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MAGUK p55 subfamily member 5	1

Entities:

Entity 1, MAGUK p55 subfamily member 5 113 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

PRO

ILE

THR

2

ASP

GLU

ARG

VAL

TYR

GLU

SER

ILE

GLY

HIS

3

TYR

GLY

GLU

THR

VAL

LYS

ILE

VAL

ARG

4

ILE

GLU

LYS

ALA

ARG

ASP

ILE

PRO

LEU

GLY

5

ALA

THR

VAL

ARG

ASN

GLU

MET

ASP

SER

VAL

6

ILE

SER

ARG

ILE

VAL

LYS

GLY

ALA

7

ALA

GLU

LYS

SER

GLY

LEU

HIS

GLU

GLY

8

ASP

GLU

VAL

LEU

GLU

ILE

ASN

GLY

ILE

GLU

9

ILE

ARG

GLY

LYS

ASP

VAL

ASN

GLU

VAL

PHE

10

ASP

LEU

SER

ASP

MET

HIS

GLY

THR

LEU

11

THR

PHE

VAL

LEU

ILE

PRO

SER

GLY

PRO

12

SER

GLY

Samples:

sample_1: PDZ domain, [U-13C; U-15N], 1.05 mM; PiNa 20 mM; NaCl 100 mM; d10-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, JohnsonB.A. - data analysis

Kujira v0.854, KobayashiN. - data analysis

CYANA v1.0.7, GuntertP. - refinement, structure solution

NMR spectrometers:

Varian INOVA 800 MHz

PDB	1VA8 4UU5 4UU6
DBJ	BAB14172 BAC05295 BAF83929 BAG11109
EMBL	CAD38620 CAD89937 CAH90105 CAL37477 CAL37737
GB	AAF63789 AAH53366 AAH95485 AAI29934 AAI38625
REF	NP_001101504 NP_001125010 NP_001192880 NP_001243479 NP_062525
SP	Q5RDQ2 Q8N3R9 Q9JLB2
TPG	DAA25125
AlphaFold	Q5RDQ2 Q8N3R9 Q9JLB2