BMRB Entry 11182

Name: Solution structure of the PDZ domain of human KIAA0340 protein
Published: 2011-07-20

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PDB ID: 2css
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11182
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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 human KIAA0340 protein

Deposition date:

2010-07-21

Original release date:

2011-07-20

Authors:

Inoue, K.; Qin, X.; Hayashi, F.; Yokoyama, S.

Citation:

Citation: Inoue, K.; Qin, X.; Hayashi, F.; Yokoyama, S.. "Solution structure of the PDZ domain of human KIAA0340 protein" .

Assembly members:

Assembly members:
PDZ domain, polymer, 121 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: P040628-04

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PDZ domain: GSSGSSGVTWQPSKEGDRLI GRVILNKRTTMPKDSGALLG LKVVGGKMTDLGRLGAFITK VKKGSLADVVGHLRAGDEVL EWNGKPLPGATNEEVYNIIL ESKSEPQVEIIVSRPSGPSS G

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	512
15N chemical shifts	117
1H chemical shifts	833

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 121 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

VAL

THR

TRP

2

GLN

PRO

SER

LYS

GLU

GLY

ASP

ARG

LEU

ILE

3

GLY

ARG

VAL

ILE

LEU

ASN

LYS

ARG

THR

4

MET

PRO

LYS

ASP

SER

GLY

ALA

LEU

GLY

5

LEU

LYS

VAL

GLY

LYS

MET

THR

ASP

6

LEU

GLY

ARG

LEU

GLY

ALA

PHE

ILE

THR

LYS

7

VAL

LYS

GLY

SER

LEU

ALA

ASP

VAL

8

GLY

HIS

LEU

ARG

ALA

GLY

ASP

GLU

VAL

LEU

9

GLU

TRP

ASN

GLY

LYS

PRO

LEU

PRO

GLY

ALA

10

THR

ASN

GLU

VAL

TYR

ASN

ILE

LEU

11

GLU

SER

LYS

SER

GLU

PRO

GLN

VAL

GLU

ILE

12

ILE

VAL

SER

ARG

PRO

SER

GLY

PRO

SER

13

GLY

Samples:

sample_1: PDZ domain, [U-13C; U-15N], 1.33 mM; d-Tris-HCl 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; H2O 90%; D2O 10%

condition_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 293 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:

VNMR v6.1C, Varian - collection

NMRPipe v20031121, Delaglio, F. - processing

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

Kujira v0.9296, Kobayashi, N. - data analysis

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

NMR spectrometers:

Varian INOVA 800 MHz
Varian INOVA 900 MHz

PDB	2CSS
DBJ	BAE22200 BAH11605 BAH14479
GB	EMP34190 EPY76123 ETE71210
REF	NP_001161881 XP_002690061 XP_003271153 XP_004044328 XP_004381426