BMRB Entry 10088

Name: Solution structure of the second PDZ domain of human scribble (KIAA0147 protein)
Published: 2008-08-14

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PDB ID: 1wha
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR10088
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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 second PDZ domain of human scribble (KIAA0147 protein)

Deposition date:

2007-01-24

Original release date:

2008-08-14

Authors:

Tochio, N.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.

Citation:

Citation: Tochio, N.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "Solution structure of the second PDZ domain of human scribble (KIAA0147 protein)" .

Assembly members:

Assembly members:
PDZ domain, polymer, 105 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 Vector: P021030-56

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PDZ domain: GSSGSSGRHVACLARSERGL GFSIAGGKGSTPYRAGDAGI FVSRIAEGGAAHRAGTLQVG DRVLSINGVDVTEARHDHAV SLLTAASPTIALLLEREAGS GPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	392
15N chemical shifts	100
1H chemical shifts	617

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	KIAA0147 protein	1

Entities:

Entity 1, KIAA0147 protein 105 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

ARG

HIS

VAL

2

ALA

CYS

LEU

ALA

ARG

SER

GLU

ARG

GLY

LEU

3

GLY

PHE

SER

ILE

ALA

GLY

LYS

GLY

SER

4

THR

PRO

TYR

ARG

ALA

GLY

ASP

ALA

GLY

ILE

5

PHE

VAL

SER

ARG

ILE

ALA

GLU

GLY

ALA

6

ALA

HIS

ARG

ALA

GLY

THR

LEU

GLN

VAL

GLY

7

ASP

ARG

VAL

LEU

SER

ILE

ASN

GLY

VAL

ASP

8

VAL

THR

GLU

ALA

ARG

HIS

ASP

HIS

ALA

VAL

9

SER

LEU

THR

ALA

SER

PRO

THR

ILE

10

ALA

LEU

GLU

ARG

GLU

ALA

GLY

SER

11

GLY

PRO

SER

GLY

Samples:

sample_1: PDZ domain, [U-13C; U-15N], 1.1 mM; phosphate 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	not available	condition_1
3D 15N-separated NOESY	sample_1	not available	condition_1

Software:

xwinnmr v2.6, Bruker - collection

NMRPipe v20031121, Delaglio, F. - processing

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

Kujira v0.8994, Kobayashi, N. - data analysis

CYANA v2.0.17, Guntert, P. - refinement, structure solution

NMR spectrometers:

Bruker AVANCE 800 MHz