BMRB Entry 11398

Name: Solution structure of PDZ domain in protein XP_110852
Published: 2011-09-08

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11398

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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 PDZ domain in protein XP_110852

Deposition date:

2010-09-09

Original release date:

2011-09-08

Authors:

He, F.; Hanaki, K.; Muto, Y.; Inoue, M.; Kigawa, T.; Shirouzu, M.; Terada, T.; Yokoyama, S.

Citation:

Citation: He, F.; Hanaki, K.; Muto, Y.; Inoue, M.; Kigawa, T.; Shirouzu, M.; Terada, T.; Yokoyama, S.. "Solution structure of PDZ domain in protein XP_110852" .

Assembly members:

Assembly members:
PDZ domain, polymer, 127 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: P030407-A03

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PDZ domain: GSSGSSGLKGEPDCYALSLE SSEQLTLEIPLNDSGSAGLG VSLKGNKSRETGTDLGIFIK SIIHGGAAFKDGRLRMNDQL IAVNGETLLGKSNHEAMETL RRSMSMEGNIRGMIQLVILR RSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	501
15N chemical shifts	131
1H chemical shifts	838

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 127 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

LEU

LYS

GLY

2

GLU

PRO

ASP

CYS

TYR

ALA

LEU

SER

LEU

GLU

3

SER

GLU

GLN

LEU

THR

LEU

GLU

ILE

PRO

4

LEU

ASN

ASP

SER

GLY

SER

ALA

GLY

LEU

GLY

5

VAL

SER

LEU

LYS

GLY

ASN

LYS

SER

ARG

GLU

6

THR

GLY

THR

ASP

LEU

GLY

ILE

PHE

ILE

LYS

7

SER

ILE

HIS

GLY

ALA

PHE

LYS

8

ASP

GLY

ARG

LEU

ARG

MET

ASN

ASP

GLN

LEU

9

ILE

ALA

VAL

ASN

GLY

GLU

THR

LEU

GLY

10

LYS

SER

ASN

HIS

GLU

ALA

MET

GLU

THR

LEU

11

ARG

SER

MET

SER

MET

GLU

GLY

ASN

ILE

12

ARG

GLY

MET

ILE

GLN

LEU

VAL

ILE

LEU

ARG

13

ARG

SER

GLY

PRO

SER

GLY

Samples:

sample_1: PDZ domain, [U-13C; U-15N], 0.8 mM; phosphate buffer NA 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 15N-separated NOESY	sample_1	isotropic	condition_1
3D 13C-separated NOESY	sample_1	isotropic	condition_1

Software:

xwinnmr v2.6, Bruker - collection

NMRPipe v20020425, Delaglio F. - processing

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

Kujira v0.863, Kobayashi N. - data analysis

CYANA v1.0.8, Guntert P. - refinement, structure solution

NMR spectrometers:

Bruker AVANCE 800 MHz

PDB	1WG6
GB	EDL98917 EGW06143 ERE85499