BMRB Entry 25249

Name: 1H, 13C, and 15N Chemical Shift Assignments for the W972A mutant of Arkadia (RNF111) E3 RING domain
Published: 2017-06-21

Click here to enlarge.

PDB ID: 5lg0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25249
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

1H, 13C, and 15N Chemical Shift Assignments for the W972A mutant of Arkadia (RNF111) E3 RING domain

Deposition date:

2014-09-25

Original release date:

2017-06-21

Authors:

Chasapis, Christos; Birkou, Maria; Herrmann, Torsten; Episkopou, Vaso; Bentrop, Detlef; Spyroulias, Georgios

Citation:

Citation: Birkou, Maria; Chasapis, Christos; Herrmann, Torsten; Episkopou, Vaso; Bentrop, Detlef; Spyroulias, Georgios. "A residue-specific insight into the Arkadia E3 ubiquitin ligase activity and conformational plasticity" .

Assembly members:

Assembly members:
W972A, polymer, 69 residues, 7710 Da.
ZINC ION, non-polymer, 65.409 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 Vector: pGEX

Entity Sequences (FASTA):

Entity Sequences (FASTA):
W972A: MKQDGEEGTEEDTEEKCTIC LSILEEGEDVRRLPCMHLFH QVCVDQALITNKKCPICRVD IEAQLPSES

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	165
15N chemical shifts	63
1H chemical shifts	193

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	W972A	1
2	ZINC ION	2

Entities:

Entity 1, W972A 69 residues - 7710 Da.

1

MET

LYS

GLN

ASP

GLY

GLU

GLY

THR

GLU

2

GLU

ASP

THR

GLU

LYS

CYS

THR

ILE

CYS

3

LEU

SER

ILE

LEU

GLU

GLY

GLU

ASP

VAL

4

ARG

LEU

PRO

CYS

MET

HIS

LEU

PHE

HIS

5

GLN

VAL

CYS

VAL

ASP

GLN

ALA

LEU

ILE

THR

6

ASN

LYS

CYS

PRO

ILE

CYS

ARG

VAL

ASP

7

ILE

GLU

ALA

GLN

LEU

PRO

SER

GLU

SER

Entity 2, ZINC ION - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: W972A, [U-99% 15N], 0.6 mM; phosphate buffer 50 mM; H20 90%; D20 10%

sample_2: W972A, [U-98% 13C; U-98% 15N], 0.6 mM; phosphate buffer 50 mM; H20 90%; D20 10%

sample_conditions_1: ionic strength: 50 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
APSY 4D-HACANH	sample_2	isotropic	sample_conditions_1
APSY 5D-HACACONH	sample_2	isotropic	sample_conditions_1
APSY 5D-CBCACONH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_2	isotropic	sample_conditions_1

Software:

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment

UNIO v10, Torsten Herrmann - chemical shift assignment

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 600 MHz
Bruker SB Avance III 1000 MHz

UNP	Q6ZNA4
AlphaFold	Q9NSR1