BMRB Entry 11201

Name: Solution structure of the fourth PDZ domain of KIAA1095 protein
Published: 2011-07-21

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PDB ID: 1wh1
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11201
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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 fourth PDZ domain of KIAA1095 protein

Deposition date:

2010-07-22

Original release date:

2011-07-21

Authors:

Qin, X.; Saito, K.; Kigawa, T.; Hayashi, F.; Yokoyama, S.

Citation:

Citation: Qin, X.; Saito, K.; Kigawa, T.; Hayashi, F.; Yokoyama, S.. "Solution structure of the fourth PDZ domain of KIAA1095 protein" .

Assembly members:

Assembly members:
PDZ domain, polymer, 124 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: P021030-39

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PDZ domain: GSSGSSGDIHQEMDREELEL EEVDLYRMNSQDKLGLTVCY RTDDEDDIGIYISEIDPNSI AAKDGRIREGDRIIQINGIE VQNREEAVALLTSEENKNFS LLIARPELQLDEGWMDDDSG PSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	519
15N chemical shifts	139
1H chemical shifts	844

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PDZ domain of KIAA1095 protein	1

Entities:

Entity 1, PDZ domain of KIAA1095 protein 124 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

ASP

ILE

HIS

2

GLN

GLU

MET

ASP

ARG

GLU

LEU

GLU

LEU

3

GLU

VAL

ASP

LEU

TYR

ARG

MET

ASN

SER

4

GLN

ASP

LYS

LEU

GLY

LEU

THR

VAL

CYS

TYR

5

ARG

THR

ASP

GLU

ASP

ILE

GLY

ILE

6

TYR

ILE

SER

GLU

ILE

ASP

PRO

ASN

SER

ILE

7

ALA

LYS

ASP

GLY

ARG

ILE

ARG

GLU

GLY

8

ASP

ARG

ILE

GLN

ILE

ASN

GLY

ILE

GLU

9

VAL

GLN

ASN

ARG

GLU

ALA

VAL

ALA

LEU

10

LEU

THR

SER

GLU

ASN

LYS

ASN

PHE

SER

11

LEU

ILE

ALA

ARG

PRO

GLU

LEU

GLN

LEU

12

ASP

GLU

GLY

TRP

MET

ASP

SER

GLY

13

PRO

SER

GLY

Samples:

sample_1: PDZ domain, [U-13C; U-15N], 1.10 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:

xwinnmr v2.6, Bruker - 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:

Bruker AVANCE 800 MHz

PDB	1WH1
DBJ	BAA83047 BAC11068 BAD32376 BAE25317 BAG09968
GB	AAF22131 AAF22132 AAH10329 AAI50624 AAI52418
REF	NP_001258180 NP_001290068 NP_001290069 NP_001290070 NP_001290071
SP	P68907 Q69ZS0 Q9UPQ7
TPG	DAA17105 DAA17106
AlphaFold	P68907 Q69ZS0 Q9UPQ7