BMRB Entry 16515

Name: Solution structure of mouse Par-3 PDZ2 (residues 450-558)
Published: 2010-05-13

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PDB ID: 2koj
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16515
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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 mouse Par-3 PDZ2 (residues 450-558)

Deposition date:

2009-09-23

Original release date:

2010-05-13

Authors:

Volkman, B.; Tyler, R.; Peterson, F.

Citation:

Citation: Markley, J.; Bahrami, A.; Eghbalnia, H.; Peterson, F.; Ulrich, E.; Westler, W.; Volkman, B.. "Macromolecular Structure Determination by NMR Sepectroscopy" Structural Bioinformatcis, 2nd edition. Macromolecular Structure Determination by NMR Sepectroscopy (2009).

Assembly members:

Assembly members:
mPar3_PDZ2, polymer, 111 residues, 11927.798 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pQE30-8HT

Entity Sequences (FASTA):

Entity Sequences (FASTA):
mPar3_PDZ2: GSVYNTKKVGKRLNIQLKKG TEGLGFSITSRDVTIGGSAP IYVKNILPRGAAIQDGRLKA GDRLIEVNGVDLAGKSQEEV VSLLRSTKMEGTVSLLVFRQ EEAFHPREMNA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	407
15N chemical shifts	108
1H chemical shifts	621

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	mPar3 PDZ2	1

Entities:

Entity 1, mPar3 PDZ2 111 residues - 11927.798 Da.

1

GLY

SER

VAL

TYR

ASN

THR

LYS

VAL

GLY

2

LYS

ARG

LEU

ASN

ILE

GLN

LEU

LYS

GLY

3

THR

GLU

GLY

LEU

GLY

PHE

SER

ILE

THR

SER

4

ARG

ASP

VAL

THR

ILE

GLY

SER

ALA

PRO

5

ILE

TYR

VAL

LYS

ASN

ILE

LEU

PRO

ARG

GLY

6

ALA

ILE

GLN

ASP

GLY

ARG

LEU

LYS

ALA

7

GLY

ASP

ARG

LEU

ILE

GLU

VAL

ASN

GLY

VAL

8

ASP

LEU

ALA

GLY

LYS

SER

GLN

GLU

VAL

9

VAL

SER

LEU

ARG

SER

THR

LYS

MET

GLU

10

GLY

THR

VAL

SER

LEU

VAL

PHE

ARG

GLN

11

GLU

ALA

PHE

HIS

PRO

ARG

GLU

MET

ASN

12

ALA

Samples:

sample: mPar3 PDZ2, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.02%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 54 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D_15N-separated_NOESY	sample	isotropic	sample_conditions_1
3D_13C-separated_NOESY	sample	isotropic	sample_conditions_1
3D_13C-separated_NOESY (AROMATIC)	sample	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker - collection

NMRPipe v2007, Delagio,F. et al. - processing

XEASY v1.3, Eccles, C., Guntert, P., Billeter, M., Wuthrich, K. - data analysis

SPSCAN v1.1.0, R.W. Glaser - data analysis

GARANT v2.1, C. Bartels - data analysis

CYANA v2.1, Guntert, P. - structural calculation

X-PLOR NIH v2.9.3, SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. - refinement

NMR spectrometers:

Bruker Avance II 600 MHz

BMRB	16520
PDB	2KOJ 2KOM 2OGP
REF	XP_011836158