BMRB Entry 11210

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PDB ID: 1x45
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11210
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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 first PDZ domain of amyloid beta A4 precursor protein-binding family A, member 1

Deposition date:

2010-07-22

Original release date:

2011-07-21

Authors:

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

Citation:

Citation: Qin, X.; Hayashi, F.; Yokoyama, S.. "Solution structure of the first PDZ domain of amyloid beta A4 precursor protein-binding family A, member 1" .

Assembly members:

Assembly members:
PDZ domain, polymer, 98 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: P050118-02

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PDZ domain: GSSGSSGDVFIEKQKGEILG VVIVESGWGSILPTVIIANM MHGGPAEKSGKLNIGDQIMS INGTSLVGLPLSTCQSIIKG LKNQSRVKLNIVSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	406
15N chemical shifts	97
1H chemical shifts	671

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PDZ domain of amyloid beta (A4) precursor protein-binding, family A, member 1 (X11)	1

Entities:

Entity 1, PDZ domain of amyloid beta (A4) precursor protein-binding, family A, member 1 (X11) 98 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

ASP

VAL

PHE

2

ILE

GLU

LYS

GLN

LYS

GLY

GLU

ILE

LEU

GLY

3

VAL

ILE

VAL

GLU

SER

GLY

TRP

GLY

SER

4

ILE

LEU

PRO

THR

VAL

ILE

ALA

ASN

MET

5

MET

HIS

GLY

PRO

ALA

GLU

LYS

SER

GLY

6

LYS

LEU

ASN

ILE

GLY

ASP

GLN

ILE

MET

SER

7

ILE

ASN

GLY

THR

SER

LEU

VAL

GLY

LEU

PRO

8

LEU

SER

THR

CYS

GLN

SER

ILE

LYS

GLY

9

LEU

LYS

ASN

GLN

SER

ARG

VAL

LYS

LEU

ASN

10

ILE

VAL

SER

GLY

PRO

SER

GLY

Samples:

sample_1: PDZ domain, [U-13C; U-15N], 1.55 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.r - 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

PDB	1U37 1U38 1U3B 1X45
DBJ	BAE28008 BAE28031
GB	AAC05303 AAC39766 AAI41182 AAI56048 AAI57031
REF	NP_001154 NP_113967 NP_796008 XP_001138890 XP_001365486
SP	B2RUJ5 O35430 Q02410
AlphaFold	B2RUJ5 O35430 Q02410