BMRB Entry 34190

Name: Proteome-wide analysis of phospho-regulated PDZ domain interactions
Published: 2018-08-31

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PDB ID: 6esp
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34190
MolProbity Validation Chart

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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:

Proteome-wide analysis of phospho-regulated PDZ domain interactions

Deposition date:

2017-10-24

Original release date:

2018-08-31

Authors:

Chi, N.

Citation:

Citation: Sundell, Gustav; Arnold, Roland; Ali, Muhammad; Naksukpaiboon, Piangfan; Orts, Julien; Guntert, Peter; Chi, Celestine; Ivarsson, Ylva. "Proteome-wide analysis of phospho-regulated PDZ domain interactions" Mol. Syst. Biol. 14, e8129-e8129 (2018).
PubMed: 30126976

Assembly members:

Assembly members:
entity_1, polymer, 116 residues, 12217.792 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GAMGAPARIEEEELTLTILR QTGGLGISIAGGKGSTPYKG DDEGIFISRVSEEGPAARAG VRVGDKLLEVNGVALQGAEH HEAVEALRGAGTAVQMRVWR ERMVEPENAVTITPLR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	69
15N chemical shifts	107
1H chemical shifts	648

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 116 residues - 12217.792 Da.

1

GLY

ALA

MET

GLY

ALA

PRO

ALA

ARG

ILE

GLU

2

GLU

LEU

THR

LEU

THR

ILE

LEU

ARG

3

GLN

THR

GLY

LEU

GLY

ILE

SER

ILE

ALA

4

GLY

LYS

GLY

SER

THR

PRO

TYR

LYS

GLY

5

ASP

GLU

GLY

ILE

PHE

ILE

SER

ARG

VAL

6

SER

GLU

GLY

PRO

ALA

ARG

ALA

GLY

7

VAL

ARG

VAL

GLY

ASP

LYS

LEU

GLU

VAL

8

ASN

GLY

VAL

ALA

LEU

GLN

GLY

ALA

GLU

HIS

9

HIS

GLU

ALA

VAL

GLU

ALA

LEU

ARG

GLY

ALA

10

GLY

THR

ALA

VAL

GLN

MET

ARG

VAL

TRP

ARG

11

GLU

ARG

MET

VAL

GLU

PRO

GLU

ASN

ALA

VAL

12

THR

ILE

THR

PRO

LEU

ARG

Samples:

sample_1: Scribble PDZ1, [U-100% 13C], 100%

sample_conditions_1: pH: 6.5; pressure: 1 Pa; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
3J HNHA	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

CcpNMR, CCPN - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 900 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks