BMRB Entry 11197

Name: Solution structure of the sixth PDZ domain of human InaD-like protein
Published: 2011-07-20

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PDB ID: 2ehr
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11197
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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 sixth PDZ domain of human InaD-like protein

Deposition date:

2010-07-21

Original release date:

2011-07-20

Authors:

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

Citation:

Citation: Inoue, K.; Hayashi, F.; Yokoyama, S.. "Solution structure of the sixth PDZ domain of human InaD-like protein" .

Assembly members:

Assembly members:
PDZ domain, polymer, 117 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: P060313-18

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PDZ domain: GSSGSSGPNFSHWGPPRIVE IFREPNVSLGISIVGGQTVI KRLKNGEELKGIFIKQVLED SPAGKTNALKTGDKILEVSG VDLQNASHSEAVEAIKNAGN PVVFIVQSLSSTPRVIP

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	481
15N chemical shifts	111
1H chemical shifts	792

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 117 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

PRO

ASN

PHE

2

SER

HIS

TRP

GLY

PRO

ARG

ILE

VAL

GLU

3

ILE

PHE

ARG

GLU

PRO

ASN

VAL

SER

LEU

GLY

4

ILE

SER

ILE

VAL

GLY

GLN

THR

VAL

ILE

5

LYS

ARG

LEU

LYS

ASN

GLY

GLU

LEU

LYS

6

GLY

ILE

PHE

ILE

LYS

GLN

VAL

LEU

GLU

ASP

7

SER

PRO

ALA

GLY

LYS

THR

ASN

ALA

LEU

LYS

8

THR

GLY

ASP

LYS

ILE

LEU

GLU

VAL

SER

GLY

9

VAL

ASP

LEU

GLN

ASN

ALA

SER

HIS

SER

GLU

10

ALA

VAL

GLU

ALA

ILE

LYS

ASN

ALA

GLY

ASN

11

PRO

VAL

PHE

ILE

VAL

GLN

SER

LEU

SER

12

SER

THR

PRO

ARG

VAL

ILE

PRO

Samples:

sample_1: PDZ domain, [U-13C; U-15N], 1.19 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: 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:

VNMR v6.1C, Varian - collection

NMRPipe v20060324, Delaglio, F. - processing

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

Kujira v0.9807, Kobayashi, N. - data analysis

CYANA v2.1, Guntert, P. - refinement, structure solution

NMR spectrometers:

Varian INOVA 800 MHz

PDB	2EHR
GB	EHH61906